USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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 34 ASN : amide:sc= 0.953 K(o=2.2,f=-2.6) USER MOD Set 1.2: A 115 SER OG : rot 145:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ -156:sc= 1.23 (180deg=1.2) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 2.03 (180deg=1.97) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00486 USER MOD Single : A 15 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.23) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.223 USER MOD Single : A 21 CYS SG : rot 55:sc= 0.747 USER MOD Single : A 25 THR OG1 : rot 155:sc= 1.21 USER MOD Single : A 31 GLN : amide:sc= 0.125 K(o=0.13,f=-1) USER MOD Single : A 33 HIS : no HE2:sc= -0.575 X(o=-0.58,f=-0.71) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 177:sc= 1.23 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 64:sc= 0.901 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.692 X(o=-0.69,f=-0.63) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 40:sc= 1.25 USER MOD Single : A 70 ASN : amide:sc= -0.673 K(o=-0.67,f=-4.6!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -170:sc= 0 USER MOD Single : A 82 THR OG1 : rot 127:sc= 1.32 USER MOD Single : A 83 SER OG : rot 150:sc= -0.0275 USER MOD Single : A 88 GLN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 151:sc= -0.23 (180deg=-1.03) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : A 108 ASN : amide:sc=-0.00138 K(o=-0.0014,f=-0.63) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 112 ASN : amide:sc= 1.53 K(o=1.5,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 47.631 16.686 17.113 1.00 0.00 N ATOM 2 CA GLY A 1 47.281 15.802 18.235 1.00 0.00 C ATOM 3 C GLY A 1 46.490 16.546 19.287 1.00 0.00 C ATOM 4 O GLY A 1 46.688 17.744 19.477 1.00 0.00 O ATOM 0 H1 GLY A 1 47.794 16.115 16.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 46.852 17.353 16.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 48.495 17.216 17.345 1.00 0.00 H new ATOM 0 HA2 GLY A 1 46.699 14.956 17.868 1.00 0.00 H new ATOM 0 HA3 GLY A 1 48.190 15.395 18.679 1.00 0.00 H new ATOM 10 N GLU A 2 45.618 15.829 19.998 1.00 0.00 N ATOM 11 CA GLU A 2 44.733 16.355 21.052 1.00 0.00 C ATOM 12 C GLU A 2 43.774 17.463 20.557 1.00 0.00 C ATOM 13 O GLU A 2 43.790 18.606 21.020 1.00 0.00 O ATOM 14 CB GLU A 2 45.537 16.743 22.309 1.00 0.00 C ATOM 15 CG GLU A 2 46.351 15.585 22.917 1.00 0.00 C ATOM 16 CD GLU A 2 45.467 14.490 23.521 1.00 0.00 C ATOM 17 OE1 GLU A 2 44.638 14.805 24.404 1.00 0.00 O ATOM 18 OE2 GLU A 2 45.615 13.296 23.160 1.00 0.00 O ATOM 0 H GLU A 2 45.500 14.826 19.854 1.00 0.00 H new ATOM 0 HA GLU A 2 44.066 15.544 21.344 1.00 0.00 H new ATOM 0 HB2 GLU A 2 46.216 17.557 22.056 1.00 0.00 H new ATOM 0 HB3 GLU A 2 44.849 17.125 23.064 1.00 0.00 H new ATOM 0 HG2 GLU A 2 46.985 15.149 22.145 1.00 0.00 H new ATOM 0 HG3 GLU A 2 47.013 15.978 23.689 1.00 0.00 H new ATOM 25 N GLU A 3 42.930 17.124 19.579 1.00 0.00 N ATOM 26 CA GLU A 3 41.875 17.988 19.039 1.00 0.00 C ATOM 27 C GLU A 3 40.517 17.698 19.701 1.00 0.00 C ATOM 28 O GLU A 3 40.044 16.555 19.704 1.00 0.00 O ATOM 29 CB GLU A 3 41.746 17.812 17.516 1.00 0.00 C ATOM 30 CG GLU A 3 42.937 18.342 16.704 1.00 0.00 C ATOM 31 CD GLU A 3 44.213 17.494 16.775 1.00 0.00 C ATOM 32 OE1 GLU A 3 44.169 16.256 16.965 1.00 0.00 O ATOM 33 OE2 GLU A 3 45.309 18.065 16.571 1.00 0.00 O ATOM 0 H GLU A 3 42.963 16.211 19.126 1.00 0.00 H new ATOM 0 HA GLU A 3 42.160 19.017 19.260 1.00 0.00 H new ATOM 0 HB2 GLU A 3 41.617 16.752 17.296 1.00 0.00 H new ATOM 0 HB3 GLU A 3 40.841 18.319 17.181 1.00 0.00 H new ATOM 0 HG2 GLU A 3 42.635 18.425 15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 3 43.171 19.349 17.050 1.00 0.00 H new ATOM 40 N LEU A 4 39.846 18.738 20.201 1.00 0.00 N ATOM 41 CA LEU A 4 38.472 18.687 20.716 1.00 0.00 C ATOM 42 C LEU A 4 37.576 19.698 19.975 1.00 0.00 C ATOM 43 O LEU A 4 38.061 20.589 19.271 1.00 0.00 O ATOM 44 CB LEU A 4 38.466 18.962 22.237 1.00 0.00 C ATOM 45 CG LEU A 4 39.286 17.990 23.109 1.00 0.00 C ATOM 46 CD1 LEU A 4 39.256 18.460 24.561 1.00 0.00 C ATOM 47 CD2 LEU A 4 38.749 16.557 23.093 1.00 0.00 C ATOM 0 H LEU A 4 40.256 19.670 20.261 1.00 0.00 H new ATOM 0 HA LEU A 4 38.070 17.689 20.541 1.00 0.00 H new ATOM 0 HB2 LEU A 4 38.842 19.972 22.404 1.00 0.00 H new ATOM 0 HB3 LEU A 4 37.433 18.945 22.584 1.00 0.00 H new ATOM 0 HG LEU A 4 40.292 17.988 22.690 1.00 0.00 H new ATOM 0 HD11 LEU A 4 39.836 17.773 25.178 1.00 0.00 H new ATOM 0 HD12 LEU A 4 39.686 19.459 24.629 1.00 0.00 H new ATOM 0 HD13 LEU A 4 38.225 18.484 24.915 1.00 0.00 H new ATOM 0 HD21 LEU A 4 39.373 15.927 23.727 1.00 0.00 H new ATOM 0 HD22 LEU A 4 37.725 16.548 23.468 1.00 0.00 H new ATOM 0 HD23 LEU A 4 38.765 16.174 22.073 1.00 0.00 H new ATOM 59 N LYS A 5 36.261 19.589 20.155 1.00 0.00 N ATOM 60 CA LYS A 5 35.286 20.638 19.822 1.00 0.00 C ATOM 61 C LYS A 5 34.299 20.872 20.969 1.00 0.00 C ATOM 62 O LYS A 5 34.135 20.016 21.833 1.00 0.00 O ATOM 63 CB LYS A 5 34.606 20.356 18.477 1.00 0.00 C ATOM 64 CG LYS A 5 33.643 19.161 18.484 1.00 0.00 C ATOM 65 CD LYS A 5 32.767 19.217 17.231 1.00 0.00 C ATOM 66 CE LYS A 5 31.526 18.329 17.351 1.00 0.00 C ATOM 67 NZ LYS A 5 31.860 16.892 17.297 1.00 0.00 N ATOM 0 H LYS A 5 35.829 18.751 20.545 1.00 0.00 H new ATOM 0 HA LYS A 5 35.823 21.578 19.698 1.00 0.00 H new ATOM 0 HB2 LYS A 5 34.057 21.246 18.169 1.00 0.00 H new ATOM 0 HB3 LYS A 5 35.376 20.181 17.726 1.00 0.00 H new ATOM 0 HG2 LYS A 5 34.203 18.226 18.510 1.00 0.00 H new ATOM 0 HG3 LYS A 5 33.021 19.184 19.379 1.00 0.00 H new ATOM 0 HD2 LYS A 5 32.458 20.247 17.052 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.353 18.905 16.366 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.015 18.546 18.289 1.00 0.00 H new ATOM 0 HE3 LYS A 5 30.831 18.569 16.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 30.989 16.330 17.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 32.324 16.677 16.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 32.503 16.655 18.080 1.00 0.00 H new ATOM 81 N ILE A 6 33.680 22.048 20.972 1.00 0.00 N ATOM 82 CA ILE A 6 32.726 22.556 21.964 1.00 0.00 C ATOM 83 C ILE A 6 31.527 23.161 21.234 1.00 0.00 C ATOM 84 O ILE A 6 31.695 23.977 20.327 1.00 0.00 O ATOM 85 CB ILE A 6 33.418 23.548 22.945 1.00 0.00 C ATOM 86 CG1 ILE A 6 32.439 24.318 23.875 1.00 0.00 C ATOM 87 CG2 ILE A 6 34.308 24.562 22.198 1.00 0.00 C ATOM 88 CD1 ILE A 6 33.099 25.000 25.074 1.00 0.00 C ATOM 0 H ILE A 6 33.841 22.725 20.227 1.00 0.00 H new ATOM 0 HA ILE A 6 32.357 21.740 22.586 1.00 0.00 H new ATOM 0 HB ILE A 6 34.032 22.911 23.582 1.00 0.00 H new ATOM 0 HG12 ILE A 6 31.918 25.073 23.286 1.00 0.00 H new ATOM 0 HG13 ILE A 6 31.684 23.622 24.241 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.773 25.237 22.917 1.00 0.00 H new ATOM 0 HG22 ILE A 6 35.083 24.029 21.646 1.00 0.00 H new ATOM 0 HG23 ILE A 6 33.698 25.138 21.502 1.00 0.00 H new ATOM 0 HD11 ILE A 6 32.339 25.512 25.665 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.595 24.251 25.691 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.833 25.724 24.722 1.00 0.00 H new ATOM 100 N THR A 7 30.315 22.769 21.631 1.00 0.00 N ATOM 101 CA THR A 7 29.072 23.348 21.120 1.00 0.00 C ATOM 102 C THR A 7 28.453 24.247 22.162 1.00 0.00 C ATOM 103 O THR A 7 28.236 23.843 23.302 1.00 0.00 O ATOM 104 CB THR A 7 28.061 22.277 20.689 1.00 0.00 C ATOM 105 OG1 THR A 7 28.640 21.468 19.698 1.00 0.00 O ATOM 106 CG2 THR A 7 26.798 22.897 20.084 1.00 0.00 C ATOM 0 H THR A 7 30.168 22.034 22.323 1.00 0.00 H new ATOM 0 HA THR A 7 29.328 23.929 20.234 1.00 0.00 H new ATOM 0 HB THR A 7 27.794 21.706 21.578 1.00 0.00 H new ATOM 0 HG1 THR A 7 27.999 20.781 19.421 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.108 22.105 19.792 1.00 0.00 H new ATOM 0 HG22 THR A 7 26.320 23.541 20.822 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.066 23.486 19.207 1.00 0.00 H new ATOM 114 N PHE A 8 28.102 25.453 21.743 1.00 0.00 N ATOM 115 CA PHE A 8 27.389 26.403 22.582 1.00 0.00 C ATOM 116 C PHE A 8 26.037 26.780 21.980 1.00 0.00 C ATOM 117 O PHE A 8 25.927 26.938 20.763 1.00 0.00 O ATOM 118 CB PHE A 8 28.253 27.645 22.757 1.00 0.00 C ATOM 119 CG PHE A 8 29.751 27.465 22.955 1.00 0.00 C ATOM 120 CD1 PHE A 8 30.539 27.300 21.797 1.00 0.00 C ATOM 121 CD2 PHE A 8 30.390 27.647 24.208 1.00 0.00 C ATOM 122 CE1 PHE A 8 31.929 27.306 21.879 1.00 0.00 C ATOM 123 CE2 PHE A 8 31.788 27.717 24.273 1.00 0.00 C ATOM 124 CZ PHE A 8 32.547 27.533 23.111 1.00 0.00 C ATOM 0 H PHE A 8 28.305 25.802 20.806 1.00 0.00 H new ATOM 0 HA PHE A 8 27.194 25.941 23.550 1.00 0.00 H new ATOM 0 HB2 PHE A 8 28.108 28.276 21.880 1.00 0.00 H new ATOM 0 HB3 PHE A 8 27.869 28.198 23.615 1.00 0.00 H new ATOM 0 HD1 PHE A 8 30.060 27.168 20.838 1.00 0.00 H new ATOM 0 HD2 PHE A 8 29.801 27.731 25.109 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.526 27.136 20.995 1.00 0.00 H new ATOM 0 HE2 PHE A 8 32.278 27.912 25.215 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.625 27.567 23.168 1.00 0.00 H new ATOM 134 N ILE A 9 25.030 26.978 22.835 1.00 0.00 N ATOM 135 CA ILE A 9 23.757 27.599 22.444 1.00 0.00 C ATOM 136 C ILE A 9 23.907 29.124 22.464 1.00 0.00 C ATOM 137 O ILE A 9 24.317 29.697 23.474 1.00 0.00 O ATOM 138 CB ILE A 9 22.592 27.129 23.343 1.00 0.00 C ATOM 139 CG1 ILE A 9 22.567 25.584 23.429 1.00 0.00 C ATOM 140 CG2 ILE A 9 21.261 27.759 22.865 1.00 0.00 C ATOM 141 CD1 ILE A 9 21.214 24.916 23.701 1.00 0.00 C ATOM 0 H ILE A 9 25.072 26.713 23.819 1.00 0.00 H new ATOM 0 HA ILE A 9 23.510 27.283 21.430 1.00 0.00 H new ATOM 0 HB ILE A 9 22.741 27.480 24.364 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.956 25.188 22.491 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.258 25.279 24.215 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.447 27.420 23.506 1.00 0.00 H new ATOM 0 HG22 ILE A 9 21.334 28.845 22.915 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.063 27.455 21.837 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.343 23.834 23.736 1.00 0.00 H new ATOM 0 HD12 ILE A 9 20.821 25.265 24.656 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.515 25.173 22.905 1.00 0.00 H new ATOM 153 N LEU A 10 23.545 29.776 21.363 1.00 0.00 N ATOM 154 CA LEU A 10 23.600 31.223 21.167 1.00 0.00 C ATOM 155 C LEU A 10 22.443 31.958 21.862 1.00 0.00 C ATOM 156 O LEU A 10 21.355 31.400 22.028 1.00 0.00 O ATOM 157 CB LEU A 10 23.568 31.506 19.647 1.00 0.00 C ATOM 158 CG LEU A 10 24.714 30.944 18.782 1.00 0.00 C ATOM 159 CD1 LEU A 10 24.817 31.830 17.537 1.00 0.00 C ATOM 160 CD2 LEU A 10 26.058 30.984 19.511 1.00 0.00 C ATOM 0 H LEU A 10 23.188 29.286 20.543 1.00 0.00 H new ATOM 0 HA LEU A 10 24.520 31.596 21.617 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.630 31.114 19.254 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.545 32.587 19.509 1.00 0.00 H new ATOM 0 HG LEU A 10 24.496 29.904 18.541 1.00 0.00 H new ATOM 0 HD11 LEU A 10 25.619 31.465 16.896 1.00 0.00 H new ATOM 0 HD12 LEU A 10 23.874 31.801 16.991 1.00 0.00 H new ATOM 0 HD13 LEU A 10 25.031 32.856 17.837 1.00 0.00 H new ATOM 0 HD21 LEU A 10 26.835 30.578 18.863 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.302 32.015 19.769 1.00 0.00 H new ATOM 0 HD23 LEU A 10 25.996 30.387 20.421 1.00 0.00 H new ATOM 172 N LYS A 11 22.607 33.262 22.123 1.00 0.00 N ATOM 173 CA LYS A 11 21.473 34.169 22.389 1.00 0.00 C ATOM 174 C LYS A 11 20.485 34.230 21.214 1.00 0.00 C ATOM 175 O LYS A 11 19.291 34.380 21.448 1.00 0.00 O ATOM 176 CB LYS A 11 21.970 35.579 22.760 1.00 0.00 C ATOM 177 CG LYS A 11 22.223 35.726 24.267 1.00 0.00 C ATOM 178 CD LYS A 11 22.443 37.190 24.683 1.00 0.00 C ATOM 179 CE LYS A 11 21.172 38.037 24.494 1.00 0.00 C ATOM 180 NZ LYS A 11 21.246 39.343 25.192 1.00 0.00 N ATOM 0 H LYS A 11 23.519 33.718 22.157 1.00 0.00 H new ATOM 0 HA LYS A 11 20.932 33.757 23.241 1.00 0.00 H new ATOM 0 HB2 LYS A 11 22.890 35.793 22.216 1.00 0.00 H new ATOM 0 HB3 LYS A 11 21.233 36.317 22.443 1.00 0.00 H new ATOM 0 HG2 LYS A 11 21.375 35.318 24.817 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.097 35.137 24.545 1.00 0.00 H new ATOM 0 HD2 LYS A 11 22.753 37.228 25.727 1.00 0.00 H new ATOM 0 HD3 LYS A 11 23.255 37.617 24.094 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.009 38.207 23.430 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.311 37.480 24.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.346 39.851 25.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.425 39.186 26.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.019 39.910 24.787 1.00 0.00 H new ATOM 194 N ASP A 12 20.957 34.027 19.981 1.00 0.00 N ATOM 195 CA ASP A 12 20.133 33.856 18.770 1.00 0.00 C ATOM 196 C ASP A 12 19.497 32.446 18.641 1.00 0.00 C ATOM 197 O ASP A 12 18.829 32.161 17.647 1.00 0.00 O ATOM 198 CB ASP A 12 21.006 34.207 17.546 1.00 0.00 C ATOM 199 CG ASP A 12 20.224 34.435 16.245 1.00 0.00 C ATOM 200 OD1 ASP A 12 19.212 35.174 16.252 1.00 0.00 O ATOM 201 OD2 ASP A 12 20.636 33.933 15.177 1.00 0.00 O ATOM 0 H ASP A 12 21.957 33.975 19.786 1.00 0.00 H new ATOM 0 HA ASP A 12 19.280 34.531 18.835 1.00 0.00 H new ATOM 0 HB2 ASP A 12 21.579 35.106 17.772 1.00 0.00 H new ATOM 0 HB3 ASP A 12 21.724 33.403 17.386 1.00 0.00 H new ATOM 206 N GLY A 13 19.724 31.545 19.607 1.00 0.00 N ATOM 207 CA GLY A 13 19.221 30.160 19.664 1.00 0.00 C ATOM 208 C GLY A 13 19.889 29.159 18.708 1.00 0.00 C ATOM 209 O GLY A 13 19.596 27.962 18.758 1.00 0.00 O ATOM 0 H GLY A 13 20.297 31.774 20.419 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.340 29.793 20.683 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.152 30.174 19.454 1.00 0.00 H new ATOM 213 N SER A 14 20.829 29.609 17.873 1.00 0.00 N ATOM 214 CA SER A 14 21.703 28.732 17.080 1.00 0.00 C ATOM 215 C SER A 14 22.631 27.907 17.968 1.00 0.00 C ATOM 216 O SER A 14 22.861 28.214 19.138 1.00 0.00 O ATOM 217 CB SER A 14 22.549 29.513 16.059 1.00 0.00 C ATOM 218 OG SER A 14 21.790 30.579 15.526 1.00 0.00 O ATOM 0 H SER A 14 21.009 30.602 17.725 1.00 0.00 H new ATOM 0 HA SER A 14 21.035 28.063 16.537 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.449 29.899 16.538 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.874 28.849 15.258 1.00 0.00 H new ATOM 0 HG SER A 14 22.333 31.075 14.878 1.00 0.00 H new ATOM 224 N GLN A 15 23.190 26.845 17.415 1.00 0.00 N ATOM 225 CA GLN A 15 24.288 26.072 17.962 1.00 0.00 C ATOM 226 C GLN A 15 25.516 26.285 17.101 1.00 0.00 C ATOM 227 O GLN A 15 25.446 26.232 15.871 1.00 0.00 O ATOM 228 CB GLN A 15 23.944 24.588 17.946 1.00 0.00 C ATOM 229 CG GLN A 15 23.038 24.087 19.080 1.00 0.00 C ATOM 230 CD GLN A 15 21.623 24.662 19.206 1.00 0.00 C ATOM 231 OE1 GLN A 15 20.629 24.012 18.916 1.00 0.00 O ATOM 232 NE2 GLN A 15 21.440 25.849 19.729 1.00 0.00 N ATOM 0 H GLN A 15 22.869 26.479 16.519 1.00 0.00 H new ATOM 0 HA GLN A 15 24.473 26.394 18.987 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.461 24.359 16.996 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.874 24.021 17.976 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.946 23.006 18.975 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.555 24.274 20.021 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.243 26.423 19.985 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.494 26.199 19.880 1.00 0.00 H new ATOM 241 N LYS A 16 26.654 26.480 17.760 1.00 0.00 N ATOM 242 CA LYS A 16 27.907 26.807 17.105 1.00 0.00 C ATOM 243 C LYS A 16 29.001 25.937 17.678 1.00 0.00 C ATOM 244 O LYS A 16 29.256 25.912 18.879 1.00 0.00 O ATOM 245 CB LYS A 16 28.202 28.286 17.293 1.00 0.00 C ATOM 246 CG LYS A 16 27.278 29.215 16.475 1.00 0.00 C ATOM 247 CD LYS A 16 27.413 29.174 14.946 1.00 0.00 C ATOM 248 CE LYS A 16 28.697 29.877 14.497 1.00 0.00 C ATOM 249 NZ LYS A 16 29.082 29.524 13.110 1.00 0.00 N ATOM 0 H LYS A 16 26.728 26.414 18.775 1.00 0.00 H new ATOM 0 HA LYS A 16 27.845 26.614 16.034 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.108 28.534 18.350 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.237 28.479 17.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.246 28.973 16.729 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.455 30.240 16.802 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.421 28.139 14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.549 29.655 14.487 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.561 30.956 14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 16 29.509 29.612 15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 29.957 30.025 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 29.239 28.498 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 28.321 29.801 12.457 1.00 0.00 H new ATOM 263 N THR A 17 29.560 25.188 16.755 1.00 0.00 N ATOM 264 CA THR A 17 30.532 24.116 16.945 1.00 0.00 C ATOM 265 C THR A 17 31.958 24.601 16.704 1.00 0.00 C ATOM 266 O THR A 17 32.369 24.780 15.551 1.00 0.00 O ATOM 267 CB THR A 17 30.254 22.945 15.978 1.00 0.00 C ATOM 268 OG1 THR A 17 29.255 23.225 15.018 1.00 0.00 O ATOM 269 CG2 THR A 17 29.850 21.710 16.753 1.00 0.00 C ATOM 0 H THR A 17 29.333 25.317 15.769 1.00 0.00 H new ATOM 0 HA THR A 17 30.432 23.784 17.978 1.00 0.00 H new ATOM 0 HB THR A 17 31.187 22.780 15.438 1.00 0.00 H new ATOM 0 HG1 THR A 17 29.130 22.445 14.438 1.00 0.00 H new ATOM 0 HG21 THR A 17 29.657 20.892 16.059 1.00 0.00 H new ATOM 0 HG22 THR A 17 30.654 21.427 17.432 1.00 0.00 H new ATOM 0 HG23 THR A 17 28.947 21.920 17.327 1.00 0.00 H new ATOM 277 N TYR A 18 32.731 24.801 17.771 1.00 0.00 N ATOM 278 CA TYR A 18 34.074 25.382 17.685 1.00 0.00 C ATOM 279 C TYR A 18 35.174 24.409 18.106 1.00 0.00 C ATOM 280 O TYR A 18 34.992 23.660 19.059 1.00 0.00 O ATOM 281 CB TYR A 18 34.132 26.682 18.499 1.00 0.00 C ATOM 282 CG TYR A 18 33.237 27.837 18.016 1.00 0.00 C ATOM 283 CD1 TYR A 18 32.715 27.856 16.703 1.00 0.00 C ATOM 284 CD2 TYR A 18 32.932 28.919 18.871 1.00 0.00 C ATOM 285 CE1 TYR A 18 31.873 28.892 16.269 1.00 0.00 C ATOM 286 CE2 TYR A 18 32.155 30.005 18.407 1.00 0.00 C ATOM 287 CZ TYR A 18 31.615 29.989 17.105 1.00 0.00 C ATOM 288 OH TYR A 18 30.845 31.002 16.628 1.00 0.00 O ATOM 0 H TYR A 18 32.445 24.565 18.721 1.00 0.00 H new ATOM 0 HA TYR A 18 34.266 25.608 16.636 1.00 0.00 H new ATOM 0 HB2 TYR A 18 33.864 26.451 19.530 1.00 0.00 H new ATOM 0 HB3 TYR A 18 35.164 27.032 18.509 1.00 0.00 H new ATOM 0 HD1 TYR A 18 32.969 27.058 16.020 1.00 0.00 H new ATOM 0 HD2 TYR A 18 33.295 28.917 19.888 1.00 0.00 H new ATOM 0 HE1 TYR A 18 31.422 28.845 15.289 1.00 0.00 H new ATOM 0 HE2 TYR A 18 31.974 30.851 19.053 1.00 0.00 H new ATOM 0 HH TYR A 18 30.750 31.693 17.317 1.00 0.00 H new ATOM 298 N GLU A 19 36.325 24.422 17.428 1.00 0.00 N ATOM 299 CA GLU A 19 37.455 23.532 17.730 1.00 0.00 C ATOM 300 C GLU A 19 38.454 24.179 18.698 1.00 0.00 C ATOM 301 O GLU A 19 38.956 25.285 18.466 1.00 0.00 O ATOM 302 CB GLU A 19 38.143 23.026 16.452 1.00 0.00 C ATOM 303 CG GLU A 19 37.258 22.029 15.692 1.00 0.00 C ATOM 304 CD GLU A 19 38.022 21.345 14.554 1.00 0.00 C ATOM 305 OE1 GLU A 19 38.059 21.903 13.433 1.00 0.00 O ATOM 306 OE2 GLU A 19 38.581 20.237 14.751 1.00 0.00 O ATOM 0 H GLU A 19 36.502 25.054 16.648 1.00 0.00 H new ATOM 0 HA GLU A 19 37.043 22.660 18.237 1.00 0.00 H new ATOM 0 HB2 GLU A 19 38.378 23.871 15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 19 39.089 22.550 16.711 1.00 0.00 H new ATOM 0 HG2 GLU A 19 36.883 21.274 16.384 1.00 0.00 H new ATOM 0 HG3 GLU A 19 36.390 22.549 15.286 1.00 0.00 H new ATOM 313 N VAL A 20 38.751 23.466 19.787 1.00 0.00 N ATOM 314 CA VAL A 20 39.645 23.865 20.883 1.00 0.00 C ATOM 315 C VAL A 20 40.480 22.668 21.369 1.00 0.00 C ATOM 316 O VAL A 20 40.435 21.583 20.784 1.00 0.00 O ATOM 317 CB VAL A 20 38.822 24.489 22.035 1.00 0.00 C ATOM 318 CG1 VAL A 20 37.992 25.694 21.578 1.00 0.00 C ATOM 319 CG2 VAL A 20 37.892 23.479 22.718 1.00 0.00 C ATOM 0 H VAL A 20 38.352 22.540 19.939 1.00 0.00 H new ATOM 0 HA VAL A 20 40.342 24.619 20.516 1.00 0.00 H new ATOM 0 HB VAL A 20 39.567 24.823 22.757 1.00 0.00 H new ATOM 0 HG11 VAL A 20 37.434 26.094 22.425 1.00 0.00 H new ATOM 0 HG12 VAL A 20 38.655 26.464 21.184 1.00 0.00 H new ATOM 0 HG13 VAL A 20 37.296 25.382 20.799 1.00 0.00 H new ATOM 0 HG21 VAL A 20 37.341 23.975 23.517 1.00 0.00 H new ATOM 0 HG22 VAL A 20 37.189 23.079 21.987 1.00 0.00 H new ATOM 0 HG23 VAL A 20 38.484 22.665 23.136 1.00 0.00 H new ATOM 329 N CYS A 21 41.251 22.858 22.436 1.00 0.00 N ATOM 330 CA CYS A 21 42.024 21.825 23.118 1.00 0.00 C ATOM 331 C CYS A 21 41.494 21.559 24.543 1.00 0.00 C ATOM 332 O CYS A 21 40.496 22.124 24.991 1.00 0.00 O ATOM 333 CB CYS A 21 43.495 22.255 23.074 1.00 0.00 C ATOM 334 SG CYS A 21 44.591 20.826 23.326 1.00 0.00 S ATOM 0 H CYS A 21 41.359 23.776 22.867 1.00 0.00 H new ATOM 0 HA CYS A 21 41.922 20.864 22.615 1.00 0.00 H new ATOM 0 HB2 CYS A 21 43.714 22.722 22.114 1.00 0.00 H new ATOM 0 HB3 CYS A 21 43.683 23.004 23.843 1.00 0.00 H new ATOM 0 HG CYS A 21 44.306 19.902 22.457 1.00 0.00 H new ATOM 340 N GLU A 22 42.145 20.651 25.261 1.00 0.00 N ATOM 341 CA GLU A 22 41.848 20.274 26.637 1.00 0.00 C ATOM 342 C GLU A 22 42.359 21.321 27.655 1.00 0.00 C ATOM 343 O GLU A 22 43.357 22.005 27.408 1.00 0.00 O ATOM 344 CB GLU A 22 42.482 18.888 26.837 1.00 0.00 C ATOM 345 CG GLU A 22 41.743 18.102 27.905 1.00 0.00 C ATOM 346 CD GLU A 22 42.320 16.706 28.174 1.00 0.00 C ATOM 347 OE1 GLU A 22 43.101 16.161 27.354 1.00 0.00 O ATOM 348 OE2 GLU A 22 41.997 16.156 29.251 1.00 0.00 O ATOM 0 H GLU A 22 42.935 20.131 24.879 1.00 0.00 H new ATOM 0 HA GLU A 22 40.773 20.236 26.814 1.00 0.00 H new ATOM 0 HB2 GLU A 22 42.464 18.337 25.897 1.00 0.00 H new ATOM 0 HB3 GLU A 22 43.528 19.000 27.121 1.00 0.00 H new ATOM 0 HG2 GLU A 22 41.756 18.673 28.834 1.00 0.00 H new ATOM 0 HG3 GLU A 22 40.699 18.000 27.608 1.00 0.00 H new ATOM 355 N GLY A 23 41.696 21.471 28.809 1.00 0.00 N ATOM 356 CA GLY A 23 42.045 22.453 29.847 1.00 0.00 C ATOM 357 C GLY A 23 41.585 23.891 29.569 1.00 0.00 C ATOM 358 O GLY A 23 41.751 24.761 30.424 1.00 0.00 O ATOM 0 H GLY A 23 40.885 20.902 29.053 1.00 0.00 H new ATOM 0 HA2 GLY A 23 41.613 22.127 30.793 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.127 22.453 29.975 1.00 0.00 H new ATOM 362 N GLU A 24 40.986 24.160 28.406 1.00 0.00 N ATOM 363 CA GLU A 24 40.325 25.436 28.092 1.00 0.00 C ATOM 364 C GLU A 24 39.020 25.578 28.906 1.00 0.00 C ATOM 365 O GLU A 24 38.317 24.590 29.134 1.00 0.00 O ATOM 366 CB GLU A 24 40.032 25.530 26.582 1.00 0.00 C ATOM 367 CG GLU A 24 41.199 25.181 25.641 1.00 0.00 C ATOM 368 CD GLU A 24 42.359 26.176 25.571 1.00 0.00 C ATOM 369 OE1 GLU A 24 42.251 27.344 26.020 1.00 0.00 O ATOM 370 OE2 GLU A 24 43.406 25.783 25.006 1.00 0.00 O ATOM 0 H GLU A 24 40.944 23.487 27.640 1.00 0.00 H new ATOM 0 HA GLU A 24 40.994 26.252 28.365 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.197 24.868 26.353 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.704 26.545 26.359 1.00 0.00 H new ATOM 0 HG2 GLU A 24 41.601 24.214 25.944 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.797 25.058 24.635 1.00 0.00 H new ATOM 377 N THR A 25 38.678 26.789 29.350 1.00 0.00 N ATOM 378 CA THR A 25 37.549 27.073 30.264 1.00 0.00 C ATOM 379 C THR A 25 36.315 27.486 29.456 1.00 0.00 C ATOM 380 O THR A 25 36.433 28.148 28.435 1.00 0.00 O ATOM 381 CB THR A 25 37.970 28.137 31.297 1.00 0.00 C ATOM 382 OG1 THR A 25 39.277 28.650 31.131 1.00 0.00 O ATOM 383 CG2 THR A 25 37.958 27.578 32.710 1.00 0.00 C ATOM 0 H THR A 25 39.189 27.630 29.081 1.00 0.00 H new ATOM 0 HA THR A 25 37.280 26.175 30.820 1.00 0.00 H new ATOM 0 HB THR A 25 37.238 28.928 31.135 1.00 0.00 H new ATOM 0 HG1 THR A 25 39.330 29.545 31.527 1.00 0.00 H new ATOM 0 HG21 THR A 25 38.260 28.356 33.412 1.00 0.00 H new ATOM 0 HG22 THR A 25 36.953 27.236 32.958 1.00 0.00 H new ATOM 0 HG23 THR A 25 38.652 26.740 32.776 1.00 0.00 H new ATOM 391 N ILE A 26 35.100 27.120 29.864 1.00 0.00 N ATOM 392 CA ILE A 26 33.918 27.229 28.971 1.00 0.00 C ATOM 393 C ILE A 26 33.472 28.686 28.719 1.00 0.00 C ATOM 394 O ILE A 26 33.125 29.014 27.583 1.00 0.00 O ATOM 395 CB ILE A 26 32.817 26.257 29.446 1.00 0.00 C ATOM 396 CG1 ILE A 26 33.080 24.779 29.045 1.00 0.00 C ATOM 397 CG2 ILE A 26 31.458 26.613 28.839 1.00 0.00 C ATOM 398 CD1 ILE A 26 34.401 24.139 29.481 1.00 0.00 C ATOM 0 H ILE A 26 34.897 26.749 30.792 1.00 0.00 H new ATOM 0 HA ILE A 26 34.196 26.906 27.968 1.00 0.00 H new ATOM 0 HB ILE A 26 32.823 26.357 30.531 1.00 0.00 H new ATOM 0 HG12 ILE A 26 32.267 24.174 29.448 1.00 0.00 H new ATOM 0 HG13 ILE A 26 33.019 24.712 27.959 1.00 0.00 H new ATOM 0 HG21 ILE A 26 30.705 25.909 29.194 1.00 0.00 H new ATOM 0 HG22 ILE A 26 31.179 27.623 29.138 1.00 0.00 H new ATOM 0 HG23 ILE A 26 31.520 26.560 27.752 1.00 0.00 H new ATOM 0 HD11 ILE A 26 34.440 23.108 29.128 1.00 0.00 H new ATOM 0 HD12 ILE A 26 35.234 24.699 29.057 1.00 0.00 H new ATOM 0 HD13 ILE A 26 34.471 24.153 30.569 1.00 0.00 H new ATOM 410 N LEU A 27 33.561 29.586 29.702 1.00 0.00 N ATOM 411 CA LEU A 27 33.319 31.026 29.510 1.00 0.00 C ATOM 412 C LEU A 27 34.563 31.728 28.911 1.00 0.00 C ATOM 413 O LEU A 27 34.426 32.667 28.127 1.00 0.00 O ATOM 414 CB LEU A 27 32.833 31.635 30.849 1.00 0.00 C ATOM 415 CG LEU A 27 31.732 32.718 30.798 1.00 0.00 C ATOM 416 CD1 LEU A 27 32.089 33.926 29.932 1.00 0.00 C ATOM 417 CD2 LEU A 27 30.397 32.152 30.308 1.00 0.00 C ATOM 0 H LEU A 27 33.804 29.338 30.661 1.00 0.00 H new ATOM 0 HA LEU A 27 32.529 31.185 28.776 1.00 0.00 H new ATOM 0 HB2 LEU A 27 32.470 30.819 31.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 33.699 32.063 31.355 1.00 0.00 H new ATOM 0 HG LEU A 27 31.643 33.057 31.830 1.00 0.00 H new ATOM 0 HD11 LEU A 27 31.266 34.641 29.947 1.00 0.00 H new ATOM 0 HD12 LEU A 27 32.989 34.400 30.323 1.00 0.00 H new ATOM 0 HD13 LEU A 27 32.267 33.599 28.907 1.00 0.00 H new ATOM 0 HD21 LEU A 27 29.651 32.946 30.287 1.00 0.00 H new ATOM 0 HD22 LEU A 27 30.521 31.744 29.305 1.00 0.00 H new ATOM 0 HD23 LEU A 27 30.067 31.362 30.983 1.00 0.00 H new ATOM 429 N ASP A 28 35.774 31.214 29.171 1.00 0.00 N ATOM 430 CA ASP A 28 36.998 31.576 28.429 1.00 0.00 C ATOM 431 C ASP A 28 36.920 31.223 26.932 1.00 0.00 C ATOM 432 O ASP A 28 37.508 31.940 26.127 1.00 0.00 O ATOM 433 CB ASP A 28 38.238 30.870 28.999 1.00 0.00 C ATOM 434 CG ASP A 28 38.959 31.618 30.129 1.00 0.00 C ATOM 435 OD1 ASP A 28 39.795 32.508 29.838 1.00 0.00 O ATOM 436 OD2 ASP A 28 38.801 31.240 31.315 1.00 0.00 O ATOM 0 H ASP A 28 35.936 30.529 29.909 1.00 0.00 H new ATOM 0 HA ASP A 28 37.082 32.657 28.543 1.00 0.00 H new ATOM 0 HB2 ASP A 28 37.939 29.889 29.368 1.00 0.00 H new ATOM 0 HB3 ASP A 28 38.946 30.703 28.187 1.00 0.00 H new ATOM 441 N ILE A 29 36.230 30.152 26.513 1.00 0.00 N ATOM 442 CA ILE A 29 35.981 29.887 25.081 1.00 0.00 C ATOM 443 C ILE A 29 34.822 30.761 24.604 1.00 0.00 C ATOM 444 O ILE A 29 34.894 31.307 23.509 1.00 0.00 O ATOM 445 CB ILE A 29 35.805 28.386 24.708 1.00 0.00 C ATOM 446 CG1 ILE A 29 36.915 27.474 25.290 1.00 0.00 C ATOM 447 CG2 ILE A 29 35.943 28.304 23.171 1.00 0.00 C ATOM 448 CD1 ILE A 29 36.401 26.064 25.595 1.00 0.00 C ATOM 0 H ILE A 29 35.833 29.454 27.142 1.00 0.00 H new ATOM 0 HA ILE A 29 36.888 30.162 24.542 1.00 0.00 H new ATOM 0 HB ILE A 29 34.847 28.049 25.104 1.00 0.00 H new ATOM 0 HG12 ILE A 29 37.742 27.413 24.582 1.00 0.00 H new ATOM 0 HG13 ILE A 29 37.309 27.921 26.203 1.00 0.00 H new ATOM 0 HG21 ILE A 29 35.828 27.269 22.850 1.00 0.00 H new ATOM 0 HG22 ILE A 29 35.172 28.917 22.703 1.00 0.00 H new ATOM 0 HG23 ILE A 29 36.926 28.669 22.874 1.00 0.00 H new ATOM 0 HD11 ILE A 29 37.213 25.461 26.001 1.00 0.00 H new ATOM 0 HD12 ILE A 29 35.592 26.121 26.324 1.00 0.00 H new ATOM 0 HD13 ILE A 29 36.031 25.605 24.678 1.00 0.00 H new ATOM 460 N ALA A 30 33.795 31.005 25.421 1.00 0.00 N ATOM 461 CA ALA A 30 32.679 31.843 24.996 1.00 0.00 C ATOM 462 C ALA A 30 33.118 33.285 24.659 1.00 0.00 C ATOM 463 O ALA A 30 32.768 33.812 23.601 1.00 0.00 O ATOM 464 CB ALA A 30 31.582 31.794 26.066 1.00 0.00 C ATOM 0 H ALA A 30 33.715 30.638 26.369 1.00 0.00 H new ATOM 0 HA ALA A 30 32.276 31.447 24.064 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.744 32.418 25.756 1.00 0.00 H new ATOM 0 HB2 ALA A 30 31.242 30.766 26.192 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.979 32.163 27.012 1.00 0.00 H new ATOM 470 N GLN A 31 33.955 33.883 25.511 1.00 0.00 N ATOM 471 CA GLN A 31 34.609 35.170 25.256 1.00 0.00 C ATOM 472 C GLN A 31 35.807 35.051 24.316 1.00 0.00 C ATOM 473 O GLN A 31 35.907 35.832 23.378 1.00 0.00 O ATOM 474 CB GLN A 31 34.980 35.829 26.575 1.00 0.00 C ATOM 475 CG GLN A 31 33.698 36.356 27.240 1.00 0.00 C ATOM 476 CD GLN A 31 34.031 37.104 28.508 1.00 0.00 C ATOM 477 OE1 GLN A 31 33.703 38.268 28.710 1.00 0.00 O ATOM 478 NE2 GLN A 31 34.727 36.451 29.394 1.00 0.00 N ATOM 0 H GLN A 31 34.202 33.479 26.414 1.00 0.00 H new ATOM 0 HA GLN A 31 33.897 35.809 24.735 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.478 35.113 27.229 1.00 0.00 H new ATOM 0 HB3 GLN A 31 35.681 36.646 26.405 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.168 37.014 26.551 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.030 35.525 27.466 1.00 0.00 H new ATOM 0 HE21 GLN A 31 34.996 35.483 29.219 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.003 36.908 30.263 1.00 0.00 H new ATOM 487 N GLY A 32 36.678 34.053 24.479 1.00 0.00 N ATOM 488 CA GLY A 32 37.856 33.864 23.627 1.00 0.00 C ATOM 489 C GLY A 32 37.540 33.564 22.159 1.00 0.00 C ATOM 490 O GLY A 32 38.382 33.834 21.300 1.00 0.00 O ATOM 0 H GLY A 32 36.586 33.348 25.210 1.00 0.00 H new ATOM 0 HA2 GLY A 32 38.471 34.762 23.676 1.00 0.00 H new ATOM 0 HA3 GLY A 32 38.453 33.046 24.031 1.00 0.00 H new ATOM 494 N HIS A 33 36.336 33.071 21.846 1.00 0.00 N ATOM 495 CA HIS A 33 35.839 32.875 20.482 1.00 0.00 C ATOM 496 C HIS A 33 34.839 33.949 20.023 1.00 0.00 C ATOM 497 O HIS A 33 34.419 33.939 18.863 1.00 0.00 O ATOM 498 CB HIS A 33 35.207 31.481 20.402 1.00 0.00 C ATOM 499 CG HIS A 33 35.577 30.763 19.131 1.00 0.00 C ATOM 500 ND1 HIS A 33 35.291 31.172 17.850 1.00 0.00 N ATOM 501 CD2 HIS A 33 36.363 29.647 19.031 1.00 0.00 C ATOM 502 CE1 HIS A 33 35.874 30.315 16.996 1.00 0.00 C ATOM 503 NE2 HIS A 33 36.548 29.363 17.672 1.00 0.00 N ATOM 0 H HIS A 33 35.661 32.789 22.557 1.00 0.00 H new ATOM 0 HA HIS A 33 36.686 32.965 19.802 1.00 0.00 H new ATOM 0 HB2 HIS A 33 35.527 30.889 21.259 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.123 31.571 20.464 1.00 0.00 H new ATOM 0 HD1 HIS A 33 34.732 31.986 17.593 1.00 0.00 H new ATOM 0 HD2 HIS A 33 36.770 29.083 19.857 1.00 0.00 H new ATOM 0 HE1 HIS A 33 35.812 30.379 15.920 1.00 0.00 H new ATOM 511 N ASN A 34 34.438 34.851 20.929 1.00 0.00 N ATOM 512 CA ASN A 34 33.412 35.873 20.723 1.00 0.00 C ATOM 513 C ASN A 34 32.116 35.313 20.122 1.00 0.00 C ATOM 514 O ASN A 34 31.645 35.708 19.048 1.00 0.00 O ATOM 515 CB ASN A 34 34.011 37.095 20.027 1.00 0.00 C ATOM 516 CG ASN A 34 34.836 37.881 21.024 1.00 0.00 C ATOM 517 OD1 ASN A 34 34.316 38.700 21.771 1.00 0.00 O ATOM 518 ND2 ASN A 34 36.098 37.589 21.179 1.00 0.00 N ATOM 0 H ASN A 34 34.840 34.887 21.866 1.00 0.00 H new ATOM 0 HA ASN A 34 33.071 36.236 21.693 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.633 36.782 19.188 1.00 0.00 H new ATOM 0 HB3 ASN A 34 33.218 37.721 19.619 1.00 0.00 H new ATOM 0 HD21 ASN A 34 36.639 38.041 21.916 1.00 0.00 H new ATOM 0 HD22 ASN A 34 36.543 36.908 20.563 1.00 0.00 H new ATOM 525 N LEU A 35 31.547 34.382 20.885 1.00 0.00 N ATOM 526 CA LEU A 35 30.153 33.922 20.729 1.00 0.00 C ATOM 527 C LEU A 35 29.137 35.079 20.819 1.00 0.00 C ATOM 528 O LEU A 35 29.332 36.070 21.528 1.00 0.00 O ATOM 529 CB LEU A 35 29.831 32.900 21.846 1.00 0.00 C ATOM 530 CG LEU A 35 30.348 31.484 21.542 1.00 0.00 C ATOM 531 CD1 LEU A 35 30.226 30.589 22.771 1.00 0.00 C ATOM 532 CD2 LEU A 35 29.566 30.797 20.419 1.00 0.00 C ATOM 0 H LEU A 35 32.043 33.913 21.643 1.00 0.00 H new ATOM 0 HA LEU A 35 30.066 33.473 19.739 1.00 0.00 H new ATOM 0 HB2 LEU A 35 30.269 33.246 22.782 1.00 0.00 H new ATOM 0 HB3 LEU A 35 28.752 32.861 21.994 1.00 0.00 H new ATOM 0 HG LEU A 35 31.387 31.613 21.239 1.00 0.00 H new ATOM 0 HD11 LEU A 35 30.597 29.592 22.533 1.00 0.00 H new ATOM 0 HD12 LEU A 35 30.813 31.010 23.587 1.00 0.00 H new ATOM 0 HD13 LEU A 35 29.180 30.524 23.072 1.00 0.00 H new ATOM 0 HD21 LEU A 35 29.975 29.801 20.248 1.00 0.00 H new ATOM 0 HD22 LEU A 35 28.517 30.715 20.704 1.00 0.00 H new ATOM 0 HD23 LEU A 35 29.649 31.385 19.505 1.00 0.00 H new ATOM 544 N ASP A 36 28.004 34.929 20.129 1.00 0.00 N ATOM 545 CA ASP A 36 26.805 35.757 20.306 1.00 0.00 C ATOM 546 C ASP A 36 26.031 35.298 21.529 1.00 0.00 C ATOM 547 O ASP A 36 25.052 34.554 21.478 1.00 0.00 O ATOM 548 CB ASP A 36 25.987 35.777 19.008 1.00 0.00 C ATOM 549 CG ASP A 36 24.753 36.677 19.082 1.00 0.00 C ATOM 550 OD1 ASP A 36 24.823 37.769 19.690 1.00 0.00 O ATOM 551 OD2 ASP A 36 23.707 36.346 18.483 1.00 0.00 O ATOM 0 H ASP A 36 27.890 34.211 19.414 1.00 0.00 H new ATOM 0 HA ASP A 36 27.080 36.794 20.502 1.00 0.00 H new ATOM 0 HB2 ASP A 36 26.625 36.114 18.191 1.00 0.00 H new ATOM 0 HB3 ASP A 36 25.673 34.761 18.770 1.00 0.00 H new ATOM 556 N MET A 37 26.587 35.727 22.654 1.00 0.00 N ATOM 557 CA MET A 37 26.239 35.335 23.997 1.00 0.00 C ATOM 558 C MET A 37 26.677 36.483 24.924 1.00 0.00 C ATOM 559 O MET A 37 27.748 37.061 24.735 1.00 0.00 O ATOM 560 CB MET A 37 26.926 33.979 24.258 1.00 0.00 C ATOM 561 CG MET A 37 28.382 34.086 24.719 1.00 0.00 C ATOM 562 SD MET A 37 28.595 34.383 26.502 1.00 0.00 S ATOM 563 CE MET A 37 30.142 35.329 26.490 1.00 0.00 C ATOM 0 H MET A 37 27.347 36.407 22.642 1.00 0.00 H new ATOM 0 HA MET A 37 25.174 35.183 24.172 1.00 0.00 H new ATOM 0 HB2 MET A 37 26.357 33.437 25.014 1.00 0.00 H new ATOM 0 HB3 MET A 37 26.890 33.385 23.345 1.00 0.00 H new ATOM 0 HG2 MET A 37 28.902 33.165 24.453 1.00 0.00 H new ATOM 0 HG3 MET A 37 28.864 34.894 24.170 1.00 0.00 H new ATOM 0 HE1 MET A 37 30.416 35.592 27.512 1.00 0.00 H new ATOM 0 HE2 MET A 37 30.934 34.726 26.046 1.00 0.00 H new ATOM 0 HE3 MET A 37 30.008 36.239 25.905 1.00 0.00 H new ATOM 573 N GLU A 38 25.832 36.868 25.878 1.00 0.00 N ATOM 574 CA GLU A 38 26.129 37.977 26.813 1.00 0.00 C ATOM 575 C GLU A 38 26.306 37.572 28.289 1.00 0.00 C ATOM 576 O GLU A 38 25.348 37.270 29.009 1.00 0.00 O ATOM 577 CB GLU A 38 25.145 39.145 26.644 1.00 0.00 C ATOM 578 CG GLU A 38 25.416 39.862 25.317 1.00 0.00 C ATOM 579 CD GLU A 38 24.480 41.047 25.094 1.00 0.00 C ATOM 580 OE1 GLU A 38 24.786 42.185 25.520 1.00 0.00 O ATOM 581 OE2 GLU A 38 23.452 40.848 24.404 1.00 0.00 O ATOM 0 H GLU A 38 24.924 36.430 26.033 1.00 0.00 H new ATOM 0 HA GLU A 38 27.120 38.321 26.517 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.120 38.775 26.666 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.249 39.844 27.474 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.449 40.210 25.300 1.00 0.00 H new ATOM 0 HG3 GLU A 38 25.304 39.154 24.495 1.00 0.00 H new ATOM 588 N GLY A 39 27.557 37.664 28.753 1.00 0.00 N ATOM 589 CA GLY A 39 27.957 37.527 30.153 1.00 0.00 C ATOM 590 C GLY A 39 29.398 37.986 30.402 1.00 0.00 C ATOM 591 O GLY A 39 30.307 37.632 29.649 1.00 0.00 O ATOM 0 H GLY A 39 28.349 37.843 28.136 1.00 0.00 H new ATOM 0 HA2 GLY A 39 27.281 38.109 30.779 1.00 0.00 H new ATOM 0 HA3 GLY A 39 27.854 36.485 30.456 1.00 0.00 H new ATOM 595 N ALA A 40 29.609 38.806 31.432 1.00 0.00 N ATOM 596 CA ALA A 40 30.864 39.519 31.718 1.00 0.00 C ATOM 597 C ALA A 40 31.904 38.755 32.574 1.00 0.00 C ATOM 598 O ALA A 40 32.814 39.380 33.128 1.00 0.00 O ATOM 599 CB ALA A 40 30.508 40.893 32.297 1.00 0.00 C ATOM 0 H ALA A 40 28.883 39.003 32.121 1.00 0.00 H new ATOM 0 HA ALA A 40 31.395 39.624 30.772 1.00 0.00 H new ATOM 0 HB1 ALA A 40 31.423 41.443 32.518 1.00 0.00 H new ATOM 0 HB2 ALA A 40 29.916 41.451 31.572 1.00 0.00 H new ATOM 0 HB3 ALA A 40 29.932 40.764 33.213 1.00 0.00 H new ATOM 605 N CYS A 41 31.744 37.444 32.788 1.00 0.00 N ATOM 606 CA CYS A 41 32.605 36.651 33.679 1.00 0.00 C ATOM 607 C CYS A 41 33.829 36.049 32.954 1.00 0.00 C ATOM 608 O CYS A 41 34.517 36.769 32.227 1.00 0.00 O ATOM 609 CB CYS A 41 31.738 35.662 34.464 1.00 0.00 C ATOM 610 SG CYS A 41 32.316 35.279 36.132 1.00 0.00 S ATOM 0 H CYS A 41 31.007 36.897 32.344 1.00 0.00 H new ATOM 0 HA CYS A 41 33.075 37.302 34.416 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.728 36.065 34.532 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.673 34.733 33.898 1.00 0.00 H new ATOM 615 N GLY A 42 34.139 34.759 33.145 1.00 0.00 N ATOM 616 CA GLY A 42 35.228 34.074 32.433 1.00 0.00 C ATOM 617 C GLY A 42 36.622 34.635 32.725 1.00 0.00 C ATOM 618 O GLY A 42 37.393 34.878 31.791 1.00 0.00 O ATOM 0 H GLY A 42 33.639 34.158 33.801 1.00 0.00 H new ATOM 0 HA2 GLY A 42 35.212 33.017 32.698 1.00 0.00 H new ATOM 0 HA3 GLY A 42 35.041 34.136 31.361 1.00 0.00 H new ATOM 622 N GLY A 43 36.925 34.875 34.003 1.00 0.00 N ATOM 623 CA GLY A 43 38.160 35.504 34.480 1.00 0.00 C ATOM 624 C GLY A 43 38.002 36.983 34.833 1.00 0.00 C ATOM 625 O GLY A 43 38.910 37.771 34.560 1.00 0.00 O ATOM 0 H GLY A 43 36.292 34.627 34.764 1.00 0.00 H new ATOM 0 HA2 GLY A 43 38.515 34.966 35.359 1.00 0.00 H new ATOM 0 HA3 GLY A 43 38.928 35.403 33.713 1.00 0.00 H new ATOM 629 N SER A 44 36.865 37.375 35.408 1.00 0.00 N ATOM 630 CA SER A 44 36.572 38.746 35.848 1.00 0.00 C ATOM 631 C SER A 44 36.398 38.798 37.368 1.00 0.00 C ATOM 632 O SER A 44 35.433 38.252 37.906 1.00 0.00 O ATOM 633 CB SER A 44 35.306 39.275 35.169 1.00 0.00 C ATOM 634 OG SER A 44 35.418 39.287 33.755 1.00 0.00 O ATOM 0 H SER A 44 36.096 36.729 35.588 1.00 0.00 H new ATOM 0 HA SER A 44 37.415 39.376 35.564 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.456 38.657 35.459 1.00 0.00 H new ATOM 0 HB3 SER A 44 35.101 40.285 35.524 1.00 0.00 H new ATOM 0 HG SER A 44 34.572 39.588 33.362 1.00 0.00 H new ATOM 640 N CYS A 45 37.326 39.471 38.053 1.00 0.00 N ATOM 641 CA CYS A 45 37.306 39.727 39.496 1.00 0.00 C ATOM 642 C CYS A 45 36.930 38.495 40.348 1.00 0.00 C ATOM 643 O CYS A 45 37.510 37.421 40.179 1.00 0.00 O ATOM 644 CB CYS A 45 36.481 40.999 39.768 1.00 0.00 C ATOM 645 SG CYS A 45 37.215 42.406 38.882 1.00 0.00 S ATOM 0 H CYS A 45 38.147 39.870 37.598 1.00 0.00 H new ATOM 0 HA CYS A 45 38.323 39.922 39.836 1.00 0.00 H new ATOM 0 HB2 CYS A 45 35.450 40.851 39.446 1.00 0.00 H new ATOM 0 HB3 CYS A 45 36.454 41.205 40.838 1.00 0.00 H new ATOM 0 HG CYS A 45 36.515 43.477 39.112 1.00 0.00 H new ATOM 651 N ALA A 46 35.973 38.627 41.269 1.00 0.00 N ATOM 652 CA ALA A 46 35.558 37.581 42.204 1.00 0.00 C ATOM 653 C ALA A 46 34.526 36.599 41.605 1.00 0.00 C ATOM 654 O ALA A 46 33.682 36.081 42.335 1.00 0.00 O ATOM 655 CB ALA A 46 35.086 38.252 43.503 1.00 0.00 C ATOM 0 H ALA A 46 35.449 39.494 41.388 1.00 0.00 H new ATOM 0 HA ALA A 46 36.413 36.943 42.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.772 37.488 44.214 1.00 0.00 H new ATOM 0 HB2 ALA A 46 35.904 38.832 43.931 1.00 0.00 H new ATOM 0 HB3 ALA A 46 34.247 38.913 43.287 1.00 0.00 H new ATOM 661 N CYS A 47 34.528 36.394 40.282 1.00 0.00 N ATOM 662 CA CYS A 47 33.407 35.830 39.523 1.00 0.00 C ATOM 663 C CYS A 47 32.122 36.687 39.587 1.00 0.00 C ATOM 664 O CYS A 47 31.966 37.581 40.431 1.00 0.00 O ATOM 665 CB CYS A 47 33.183 34.347 39.876 1.00 0.00 C ATOM 666 SG CYS A 47 33.599 33.125 38.612 1.00 0.00 S ATOM 0 H CYS A 47 35.331 36.622 39.695 1.00 0.00 H new ATOM 0 HA CYS A 47 33.690 35.861 38.471 1.00 0.00 H new ATOM 0 HB2 CYS A 47 33.765 34.121 40.769 1.00 0.00 H new ATOM 0 HB3 CYS A 47 32.133 34.217 40.139 1.00 0.00 H new ATOM 671 N SER A 48 31.211 36.423 38.648 1.00 0.00 N ATOM 672 CA SER A 48 30.050 37.265 38.314 1.00 0.00 C ATOM 673 C SER A 48 28.729 36.485 38.416 1.00 0.00 C ATOM 674 O SER A 48 28.703 35.339 38.841 1.00 0.00 O ATOM 675 CB SER A 48 30.204 37.840 36.892 1.00 0.00 C ATOM 676 OG SER A 48 31.554 38.041 36.514 1.00 0.00 O ATOM 0 H SER A 48 31.260 35.582 38.073 1.00 0.00 H new ATOM 0 HA SER A 48 30.016 38.078 39.039 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.731 37.163 36.180 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.671 38.789 36.831 1.00 0.00 H new ATOM 0 HG SER A 48 32.017 37.178 36.482 1.00 0.00 H new ATOM 682 N THR A 49 27.621 37.075 37.960 1.00 0.00 N ATOM 683 CA THR A 49 26.265 36.483 37.919 1.00 0.00 C ATOM 684 C THR A 49 26.060 35.355 36.883 1.00 0.00 C ATOM 685 O THR A 49 24.929 34.980 36.572 1.00 0.00 O ATOM 686 CB THR A 49 25.212 37.595 37.765 1.00 0.00 C ATOM 687 OG1 THR A 49 25.461 38.363 36.607 1.00 0.00 O ATOM 688 CG2 THR A 49 25.274 38.578 38.935 1.00 0.00 C ATOM 0 H THR A 49 27.637 38.025 37.589 1.00 0.00 H new ATOM 0 HA THR A 49 26.137 35.977 38.876 1.00 0.00 H new ATOM 0 HB THR A 49 24.244 37.096 37.717 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.780 39.063 36.526 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.519 39.353 38.800 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.085 38.046 39.867 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.262 39.037 38.973 1.00 0.00 H new ATOM 696 N CYS A 50 27.151 34.907 36.264 1.00 0.00 N ATOM 697 CA CYS A 50 27.228 34.069 35.071 1.00 0.00 C ATOM 698 C CYS A 50 26.847 32.590 35.294 1.00 0.00 C ATOM 699 O CYS A 50 26.861 32.084 36.416 1.00 0.00 O ATOM 700 CB CYS A 50 28.648 34.245 34.537 1.00 0.00 C ATOM 701 SG CYS A 50 29.399 32.857 33.685 1.00 0.00 S ATOM 0 H CYS A 50 28.080 35.141 36.614 1.00 0.00 H new ATOM 0 HA CYS A 50 26.480 34.388 34.345 1.00 0.00 H new ATOM 0 HB2 CYS A 50 28.646 35.095 33.855 1.00 0.00 H new ATOM 0 HB3 CYS A 50 29.291 34.510 35.376 1.00 0.00 H new ATOM 706 N HIS A 51 26.418 31.911 34.218 1.00 0.00 N ATOM 707 CA HIS A 51 25.907 30.538 34.285 1.00 0.00 C ATOM 708 C HIS A 51 25.989 29.716 32.982 1.00 0.00 C ATOM 709 O HIS A 51 25.448 30.107 31.943 1.00 0.00 O ATOM 710 CB HIS A 51 24.467 30.561 34.830 1.00 0.00 C ATOM 711 CG HIS A 51 23.595 31.725 34.415 1.00 0.00 C ATOM 712 ND1 HIS A 51 23.374 32.860 35.165 1.00 0.00 N ATOM 713 CD2 HIS A 51 22.811 31.824 33.298 1.00 0.00 C ATOM 714 CE1 HIS A 51 22.462 33.609 34.530 1.00 0.00 C ATOM 715 NE2 HIS A 51 22.096 33.030 33.369 1.00 0.00 N ATOM 0 H HIS A 51 26.417 32.302 33.276 1.00 0.00 H new ATOM 0 HA HIS A 51 26.580 30.011 34.961 1.00 0.00 H new ATOM 0 HB2 HIS A 51 23.973 29.640 34.521 1.00 0.00 H new ATOM 0 HB3 HIS A 51 24.516 30.546 35.919 1.00 0.00 H new ATOM 0 HD1 HIS A 51 23.826 33.090 36.050 1.00 0.00 H new ATOM 0 HD2 HIS A 51 22.752 31.099 32.499 1.00 0.00 H new ATOM 0 HE1 HIS A 51 22.074 34.547 34.898 1.00 0.00 H new ATOM 723 N VAL A 52 26.501 28.480 33.089 1.00 0.00 N ATOM 724 CA VAL A 52 26.397 27.399 32.081 1.00 0.00 C ATOM 725 C VAL A 52 25.591 26.203 32.569 1.00 0.00 C ATOM 726 O VAL A 52 25.498 25.928 33.766 1.00 0.00 O ATOM 727 CB VAL A 52 27.751 26.816 31.609 1.00 0.00 C ATOM 728 CG1 VAL A 52 28.220 27.363 30.278 1.00 0.00 C ATOM 729 CG2 VAL A 52 28.890 26.970 32.624 1.00 0.00 C ATOM 0 H VAL A 52 27.023 28.188 33.915 1.00 0.00 H new ATOM 0 HA VAL A 52 25.904 27.912 31.255 1.00 0.00 H new ATOM 0 HB VAL A 52 27.526 25.755 31.498 1.00 0.00 H new ATOM 0 HG11 VAL A 52 29.175 26.908 30.014 1.00 0.00 H new ATOM 0 HG12 VAL A 52 27.483 27.132 29.509 1.00 0.00 H new ATOM 0 HG13 VAL A 52 28.341 28.444 30.351 1.00 0.00 H new ATOM 0 HG21 VAL A 52 29.803 26.536 32.216 1.00 0.00 H new ATOM 0 HG22 VAL A 52 29.052 28.028 32.831 1.00 0.00 H new ATOM 0 HG23 VAL A 52 28.626 26.456 33.548 1.00 0.00 H new ATOM 739 N ILE A 53 25.107 25.417 31.612 1.00 0.00 N ATOM 740 CA ILE A 53 24.610 24.065 31.781 1.00 0.00 C ATOM 741 C ILE A 53 25.095 23.169 30.631 1.00 0.00 C ATOM 742 O ILE A 53 25.163 23.607 29.495 1.00 0.00 O ATOM 743 CB ILE A 53 23.082 24.142 31.897 1.00 0.00 C ATOM 744 CG1 ILE A 53 22.575 22.723 32.169 1.00 0.00 C ATOM 745 CG2 ILE A 53 22.437 24.860 30.688 1.00 0.00 C ATOM 746 CD1 ILE A 53 21.237 22.408 31.583 1.00 0.00 C ATOM 0 H ILE A 53 25.050 25.730 30.643 1.00 0.00 H new ATOM 0 HA ILE A 53 24.999 23.605 32.690 1.00 0.00 H new ATOM 0 HB ILE A 53 22.777 24.772 32.732 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.303 22.012 31.778 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.528 22.570 33.247 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.355 24.889 30.817 1.00 0.00 H new ATOM 0 HG22 ILE A 53 22.822 25.878 30.621 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.679 24.320 29.773 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.964 21.382 31.829 1.00 0.00 H new ATOM 0 HD12 ILE A 53 20.491 23.090 31.992 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.278 22.522 30.500 1.00 0.00 H new ATOM 758 N VAL A 54 25.386 21.904 30.916 1.00 0.00 N ATOM 759 CA VAL A 54 25.842 20.854 29.996 1.00 0.00 C ATOM 760 C VAL A 54 24.743 19.899 29.520 1.00 0.00 C ATOM 761 O VAL A 54 23.734 19.687 30.192 1.00 0.00 O ATOM 762 CB VAL A 54 26.968 20.110 30.718 1.00 0.00 C ATOM 763 CG1 VAL A 54 26.479 19.081 31.682 1.00 0.00 C ATOM 764 CG2 VAL A 54 28.020 19.393 29.873 1.00 0.00 C ATOM 0 H VAL A 54 25.304 21.553 31.870 1.00 0.00 H new ATOM 0 HA VAL A 54 26.185 21.317 29.071 1.00 0.00 H new ATOM 0 HB VAL A 54 27.444 20.964 31.199 1.00 0.00 H new ATOM 0 HG11 VAL A 54 27.330 18.594 32.157 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.863 19.559 32.444 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.885 18.337 31.150 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.748 18.915 30.528 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.536 18.637 29.254 1.00 0.00 H new ATOM 0 HG23 VAL A 54 28.527 20.115 29.233 1.00 0.00 H new ATOM 774 N ASP A 55 25.031 19.237 28.411 1.00 0.00 N ATOM 775 CA ASP A 55 24.465 17.930 28.066 1.00 0.00 C ATOM 776 C ASP A 55 24.679 16.879 29.200 1.00 0.00 C ATOM 777 O ASP A 55 25.818 16.733 29.664 1.00 0.00 O ATOM 778 CB ASP A 55 25.307 17.451 26.881 1.00 0.00 C ATOM 779 CG ASP A 55 24.692 16.294 26.078 1.00 0.00 C ATOM 780 OD1 ASP A 55 23.885 15.509 26.626 1.00 0.00 O ATOM 781 OD2 ASP A 55 24.995 16.175 24.870 1.00 0.00 O ATOM 0 H ASP A 55 25.677 19.595 27.707 1.00 0.00 H new ATOM 0 HA ASP A 55 23.395 18.024 27.879 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.474 18.293 26.209 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.284 17.139 27.250 1.00 0.00 H new ATOM 786 N PRO A 56 23.700 16.022 29.547 1.00 0.00 N ATOM 787 CA PRO A 56 23.920 14.860 30.423 1.00 0.00 C ATOM 788 C PRO A 56 24.983 13.854 29.931 1.00 0.00 C ATOM 789 O PRO A 56 25.480 13.054 30.721 1.00 0.00 O ATOM 790 CB PRO A 56 22.545 14.198 30.568 1.00 0.00 C ATOM 791 CG PRO A 56 21.577 15.364 30.376 1.00 0.00 C ATOM 792 CD PRO A 56 22.277 16.207 29.313 1.00 0.00 C ATOM 0 HA PRO A 56 24.335 15.200 31.372 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.392 13.420 29.821 1.00 0.00 H new ATOM 0 HB3 PRO A 56 22.424 13.730 31.545 1.00 0.00 H new ATOM 0 HG2 PRO A 56 20.596 15.026 30.043 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.426 15.921 31.300 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.999 15.884 28.310 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.998 17.257 29.398 1.00 0.00 H new ATOM 800 N ASP A 57 25.375 13.896 28.656 1.00 0.00 N ATOM 801 CA ASP A 57 26.477 13.093 28.108 1.00 0.00 C ATOM 802 C ASP A 57 27.858 13.563 28.603 1.00 0.00 C ATOM 803 O ASP A 57 28.739 12.730 28.811 1.00 0.00 O ATOM 804 CB ASP A 57 26.435 13.109 26.570 1.00 0.00 C ATOM 805 CG ASP A 57 25.624 11.947 26.000 1.00 0.00 C ATOM 806 OD1 ASP A 57 26.037 10.780 26.204 1.00 0.00 O ATOM 807 OD2 ASP A 57 24.552 12.177 25.393 1.00 0.00 O ATOM 0 H ASP A 57 24.931 14.497 27.962 1.00 0.00 H new ATOM 0 HA ASP A 57 26.336 12.074 28.469 1.00 0.00 H new ATOM 0 HB2 ASP A 57 26.004 14.051 26.230 1.00 0.00 H new ATOM 0 HB3 ASP A 57 27.452 13.065 26.181 1.00 0.00 H new ATOM 812 N TYR A 58 28.047 14.872 28.796 1.00 0.00 N ATOM 813 CA TYR A 58 29.358 15.480 29.054 1.00 0.00 C ATOM 814 C TYR A 58 29.471 16.245 30.379 1.00 0.00 C ATOM 815 O TYR A 58 30.437 16.964 30.644 1.00 0.00 O ATOM 816 CB TYR A 58 29.601 16.348 27.842 1.00 0.00 C ATOM 817 CG TYR A 58 29.474 15.599 26.535 1.00 0.00 C ATOM 818 CD1 TYR A 58 30.273 14.473 26.274 1.00 0.00 C ATOM 819 CD2 TYR A 58 28.485 15.975 25.618 1.00 0.00 C ATOM 820 CE1 TYR A 58 30.188 13.815 25.030 1.00 0.00 C ATOM 821 CE2 TYR A 58 28.384 15.319 24.381 1.00 0.00 C ATOM 822 CZ TYR A 58 29.256 14.258 24.066 1.00 0.00 C ATOM 823 OH TYR A 58 29.173 13.664 22.846 1.00 0.00 O ATOM 0 H TYR A 58 27.284 15.549 28.777 1.00 0.00 H new ATOM 0 HA TYR A 58 30.123 14.715 29.187 1.00 0.00 H new ATOM 0 HB2 TYR A 58 28.892 17.176 27.849 1.00 0.00 H new ATOM 0 HB3 TYR A 58 30.599 16.782 27.909 1.00 0.00 H new ATOM 0 HD1 TYR A 58 30.955 14.110 27.029 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.798 16.772 25.863 1.00 0.00 H new ATOM 0 HE1 TYR A 58 30.833 12.976 24.815 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.635 15.629 23.668 1.00 0.00 H new ATOM 0 HH TYR A 58 28.474 14.102 22.316 1.00 0.00 H new ATOM 833 N TYR A 59 28.441 16.094 31.200 1.00 0.00 N ATOM 834 CA TYR A 59 28.522 16.136 32.678 1.00 0.00 C ATOM 835 C TYR A 59 28.953 14.819 33.320 1.00 0.00 C ATOM 836 O TYR A 59 29.279 14.810 34.505 1.00 0.00 O ATOM 837 CB TYR A 59 27.138 16.321 33.289 1.00 0.00 C ATOM 838 CG TYR A 59 27.033 17.285 34.476 1.00 0.00 C ATOM 839 CD1 TYR A 59 27.659 18.550 34.470 1.00 0.00 C ATOM 840 CD2 TYR A 59 26.322 16.900 35.624 1.00 0.00 C ATOM 841 CE1 TYR A 59 27.512 19.449 35.537 1.00 0.00 C ATOM 842 CE2 TYR A 59 26.249 17.747 36.744 1.00 0.00 C ATOM 843 CZ TYR A 59 26.810 19.037 36.694 1.00 0.00 C ATOM 844 OH TYR A 59 26.571 19.895 37.716 1.00 0.00 O ATOM 0 H TYR A 59 27.493 15.934 30.860 1.00 0.00 H new ATOM 0 HA TYR A 59 29.234 16.941 32.863 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.464 16.670 32.506 1.00 0.00 H new ATOM 0 HB3 TYR A 59 26.775 15.345 33.610 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.266 18.833 33.623 1.00 0.00 H new ATOM 0 HD2 TYR A 59 25.825 15.941 35.647 1.00 0.00 H new ATOM 0 HE1 TYR A 59 27.930 20.443 35.476 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.761 17.407 37.645 1.00 0.00 H new ATOM 0 HH TYR A 59 26.342 20.777 37.356 1.00 0.00 H new ATOM 854 N ASP A 60 28.780 13.682 32.642 1.00 0.00 N ATOM 855 CA ASP A 60 28.767 12.406 33.380 1.00 0.00 C ATOM 856 C ASP A 60 30.118 12.095 34.059 1.00 0.00 C ATOM 857 O ASP A 60 30.242 11.314 35.005 1.00 0.00 O ATOM 858 CB ASP A 60 28.426 11.269 32.422 1.00 0.00 C ATOM 859 CG ASP A 60 28.346 9.893 33.106 1.00 0.00 C ATOM 860 OD1 ASP A 60 27.422 9.672 33.923 1.00 0.00 O ATOM 861 OD2 ASP A 60 29.210 9.020 32.843 1.00 0.00 O ATOM 0 H ASP A 60 28.652 13.610 31.633 1.00 0.00 H new ATOM 0 HA ASP A 60 28.015 12.498 34.164 1.00 0.00 H new ATOM 0 HB2 ASP A 60 27.471 11.483 31.942 1.00 0.00 H new ATOM 0 HB3 ASP A 60 29.178 11.231 31.634 1.00 0.00 H new ATOM 866 N ALA A 61 31.136 12.766 33.537 1.00 0.00 N ATOM 867 CA ALA A 61 32.537 12.684 33.917 1.00 0.00 C ATOM 868 C ALA A 61 32.915 13.655 35.058 1.00 0.00 C ATOM 869 O ALA A 61 34.093 13.787 35.396 1.00 0.00 O ATOM 870 CB ALA A 61 33.318 12.936 32.626 1.00 0.00 C ATOM 0 H ALA A 61 30.991 13.433 32.779 1.00 0.00 H new ATOM 0 HA ALA A 61 32.777 11.708 34.339 1.00 0.00 H new ATOM 0 HB1 ALA A 61 34.387 12.890 32.833 1.00 0.00 H new ATOM 0 HB2 ALA A 61 33.058 12.176 31.889 1.00 0.00 H new ATOM 0 HB3 ALA A 61 33.066 13.922 32.235 1.00 0.00 H new ATOM 876 N LEU A 62 31.932 14.393 35.591 1.00 0.00 N ATOM 877 CA LEU A 62 32.149 15.642 36.343 1.00 0.00 C ATOM 878 C LEU A 62 31.479 15.664 37.739 1.00 0.00 C ATOM 879 O LEU A 62 30.384 15.117 37.901 1.00 0.00 O ATOM 880 CB LEU A 62 31.681 16.807 35.460 1.00 0.00 C ATOM 881 CG LEU A 62 32.628 17.012 34.259 1.00 0.00 C ATOM 882 CD1 LEU A 62 32.074 18.156 33.426 1.00 0.00 C ATOM 883 CD2 LEU A 62 34.085 17.296 34.664 1.00 0.00 C ATOM 0 H LEU A 62 30.948 14.137 35.512 1.00 0.00 H new ATOM 0 HA LEU A 62 33.213 15.731 36.564 1.00 0.00 H new ATOM 0 HB2 LEU A 62 30.671 16.611 35.101 1.00 0.00 H new ATOM 0 HB3 LEU A 62 31.637 17.721 36.052 1.00 0.00 H new ATOM 0 HG LEU A 62 32.664 16.083 33.689 1.00 0.00 H new ATOM 0 HD11 LEU A 62 32.722 18.327 32.566 1.00 0.00 H new ATOM 0 HD12 LEU A 62 31.072 17.902 33.080 1.00 0.00 H new ATOM 0 HD13 LEU A 62 32.030 19.060 34.033 1.00 0.00 H new ATOM 0 HD21 LEU A 62 34.692 17.429 33.769 1.00 0.00 H new ATOM 0 HD22 LEU A 62 34.125 18.203 35.268 1.00 0.00 H new ATOM 0 HD23 LEU A 62 34.472 16.457 35.243 1.00 0.00 H new ATOM 895 N PRO A 63 32.110 16.296 38.749 1.00 0.00 N ATOM 896 CA PRO A 63 31.516 16.627 40.053 1.00 0.00 C ATOM 897 C PRO A 63 30.554 17.826 39.950 1.00 0.00 C ATOM 898 O PRO A 63 30.466 18.454 38.900 1.00 0.00 O ATOM 899 CB PRO A 63 32.713 16.950 40.953 1.00 0.00 C ATOM 900 CG PRO A 63 33.683 17.607 39.977 1.00 0.00 C ATOM 901 CD PRO A 63 33.480 16.793 38.706 1.00 0.00 C ATOM 0 HA PRO A 63 30.914 15.807 40.446 1.00 0.00 H new ATOM 0 HB2 PRO A 63 32.440 17.620 41.768 1.00 0.00 H new ATOM 0 HB3 PRO A 63 33.136 16.053 41.405 1.00 0.00 H new ATOM 0 HG2 PRO A 63 33.452 18.661 39.824 1.00 0.00 H new ATOM 0 HG3 PRO A 63 34.712 17.554 40.332 1.00 0.00 H new ATOM 0 HD2 PRO A 63 33.642 17.408 37.821 1.00 0.00 H new ATOM 0 HD3 PRO A 63 34.191 15.968 38.656 1.00 0.00 H new ATOM 909 N GLU A 64 29.847 18.170 41.032 1.00 0.00 N ATOM 910 CA GLU A 64 29.078 19.424 41.143 1.00 0.00 C ATOM 911 C GLU A 64 29.908 20.586 41.740 1.00 0.00 C ATOM 912 O GLU A 64 30.883 20.345 42.463 1.00 0.00 O ATOM 913 CB GLU A 64 27.770 19.182 41.927 1.00 0.00 C ATOM 914 CG GLU A 64 26.657 18.811 40.935 1.00 0.00 C ATOM 915 CD GLU A 64 25.359 18.375 41.619 1.00 0.00 C ATOM 916 OE1 GLU A 64 24.737 19.174 42.369 1.00 0.00 O ATOM 917 OE2 GLU A 64 24.921 17.222 41.392 1.00 0.00 O ATOM 0 H GLU A 64 29.789 17.584 41.865 1.00 0.00 H new ATOM 0 HA GLU A 64 28.818 19.740 40.133 1.00 0.00 H new ATOM 0 HB2 GLU A 64 27.909 18.382 42.654 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.494 20.076 42.486 1.00 0.00 H new ATOM 0 HG2 GLU A 64 26.452 19.667 40.293 1.00 0.00 H new ATOM 0 HG3 GLU A 64 27.008 18.006 40.290 1.00 0.00 H new ATOM 924 N PRO A 65 29.544 21.858 41.464 1.00 0.00 N ATOM 925 CA PRO A 65 30.234 23.054 41.974 1.00 0.00 C ATOM 926 C PRO A 65 30.368 23.143 43.496 1.00 0.00 C ATOM 927 O PRO A 65 29.559 22.572 44.230 1.00 0.00 O ATOM 928 CB PRO A 65 29.406 24.244 41.459 1.00 0.00 C ATOM 929 CG PRO A 65 28.041 23.648 41.134 1.00 0.00 C ATOM 930 CD PRO A 65 28.421 22.278 40.630 1.00 0.00 C ATOM 0 HA PRO A 65 31.266 23.033 41.623 1.00 0.00 H new ATOM 0 HB2 PRO A 65 29.327 25.028 42.212 1.00 0.00 H new ATOM 0 HB3 PRO A 65 29.863 24.693 40.577 1.00 0.00 H new ATOM 0 HG2 PRO A 65 27.396 23.598 42.011 1.00 0.00 H new ATOM 0 HG3 PRO A 65 27.509 24.229 40.381 1.00 0.00 H new ATOM 0 HD2 PRO A 65 27.586 21.582 40.715 1.00 0.00 H new ATOM 0 HD3 PRO A 65 28.703 22.310 39.578 1.00 0.00 H new ATOM 938 N GLU A 66 31.325 23.958 43.949 1.00 0.00 N ATOM 939 CA GLU A 66 31.320 24.540 45.300 1.00 0.00 C ATOM 940 C GLU A 66 30.029 25.343 45.532 1.00 0.00 C ATOM 941 O GLU A 66 29.429 25.869 44.596 1.00 0.00 O ATOM 942 CB GLU A 66 32.530 25.478 45.497 1.00 0.00 C ATOM 943 CG GLU A 66 33.855 24.729 45.679 1.00 0.00 C ATOM 944 CD GLU A 66 35.047 25.688 45.831 1.00 0.00 C ATOM 945 OE1 GLU A 66 35.201 26.341 46.894 1.00 0.00 O ATOM 946 OE2 GLU A 66 35.864 25.792 44.883 1.00 0.00 O ATOM 0 H GLU A 66 32.130 24.236 43.388 1.00 0.00 H new ATOM 0 HA GLU A 66 31.378 23.720 46.015 1.00 0.00 H new ATOM 0 HB2 GLU A 66 32.611 26.141 44.636 1.00 0.00 H new ATOM 0 HB3 GLU A 66 32.354 26.108 46.369 1.00 0.00 H new ATOM 0 HG2 GLU A 66 33.791 24.089 46.559 1.00 0.00 H new ATOM 0 HG3 GLU A 66 34.022 24.077 44.822 1.00 0.00 H new ATOM 953 N ASP A 67 29.609 25.518 46.782 1.00 0.00 N ATOM 954 CA ASP A 67 28.379 26.257 47.101 1.00 0.00 C ATOM 955 C ASP A 67 28.430 27.752 46.702 1.00 0.00 C ATOM 956 O ASP A 67 27.398 28.356 46.428 1.00 0.00 O ATOM 957 CB ASP A 67 28.100 26.068 48.594 1.00 0.00 C ATOM 958 CG ASP A 67 26.807 26.757 49.011 1.00 0.00 C ATOM 959 OD1 ASP A 67 25.710 26.266 48.649 1.00 0.00 O ATOM 960 OD2 ASP A 67 26.893 27.789 49.717 1.00 0.00 O ATOM 0 H ASP A 67 30.102 25.158 47.599 1.00 0.00 H new ATOM 0 HA ASP A 67 27.561 25.853 46.505 1.00 0.00 H new ATOM 0 HB2 ASP A 67 28.036 25.004 48.822 1.00 0.00 H new ATOM 0 HB3 ASP A 67 28.931 26.469 49.174 1.00 0.00 H new ATOM 965 N ASP A 68 29.627 28.335 46.614 1.00 0.00 N ATOM 966 CA ASP A 68 29.894 29.716 46.185 1.00 0.00 C ATOM 967 C ASP A 68 30.047 29.843 44.661 1.00 0.00 C ATOM 968 O ASP A 68 29.971 30.944 44.112 1.00 0.00 O ATOM 969 CB ASP A 68 31.145 30.173 46.946 1.00 0.00 C ATOM 970 CG ASP A 68 31.415 31.671 46.850 1.00 0.00 C ATOM 971 OD1 ASP A 68 30.515 32.476 47.196 1.00 0.00 O ATOM 972 OD2 ASP A 68 32.561 32.043 46.501 1.00 0.00 O ATOM 0 H ASP A 68 30.483 27.834 46.852 1.00 0.00 H new ATOM 0 HA ASP A 68 29.047 30.361 46.420 1.00 0.00 H new ATOM 0 HB2 ASP A 68 31.040 29.899 47.996 1.00 0.00 H new ATOM 0 HB3 ASP A 68 32.010 29.633 46.561 1.00 0.00 H new ATOM 977 N GLU A 69 30.239 28.716 43.972 1.00 0.00 N ATOM 978 CA GLU A 69 30.082 28.603 42.520 1.00 0.00 C ATOM 979 C GLU A 69 28.592 28.416 42.180 1.00 0.00 C ATOM 980 O GLU A 69 28.033 29.201 41.421 1.00 0.00 O ATOM 981 CB GLU A 69 30.933 27.429 42.009 1.00 0.00 C ATOM 982 CG GLU A 69 32.451 27.660 42.058 1.00 0.00 C ATOM 983 CD GLU A 69 33.253 26.408 41.652 1.00 0.00 C ATOM 984 OE1 GLU A 69 32.756 25.266 41.791 1.00 0.00 O ATOM 985 OE2 GLU A 69 34.420 26.553 41.209 1.00 0.00 O ATOM 0 H GLU A 69 30.513 27.840 44.416 1.00 0.00 H new ATOM 0 HA GLU A 69 30.427 29.512 42.027 1.00 0.00 H new ATOM 0 HB2 GLU A 69 30.696 26.544 42.599 1.00 0.00 H new ATOM 0 HB3 GLU A 69 30.646 27.212 40.980 1.00 0.00 H new ATOM 0 HG2 GLU A 69 32.711 28.485 41.395 1.00 0.00 H new ATOM 0 HG3 GLU A 69 32.737 27.959 43.066 1.00 0.00 H new ATOM 992 N ASN A 70 27.915 27.426 42.786 1.00 0.00 N ATOM 993 CA ASN A 70 26.506 27.082 42.537 1.00 0.00 C ATOM 994 C ASN A 70 25.487 28.209 42.835 1.00 0.00 C ATOM 995 O ASN A 70 24.389 28.205 42.267 1.00 0.00 O ATOM 996 CB ASN A 70 26.203 25.701 43.174 1.00 0.00 C ATOM 997 CG ASN A 70 25.505 25.611 44.523 1.00 0.00 C ATOM 998 OD1 ASN A 70 24.907 26.536 45.038 1.00 0.00 O ATOM 999 ND2 ASN A 70 25.523 24.440 45.127 1.00 0.00 N ATOM 0 H ASN A 70 28.348 26.824 43.486 1.00 0.00 H new ATOM 0 HA ASN A 70 26.361 26.983 41.461 1.00 0.00 H new ATOM 0 HB2 ASN A 70 25.597 25.143 42.460 1.00 0.00 H new ATOM 0 HB3 ASN A 70 27.153 25.174 43.267 1.00 0.00 H new ATOM 0 HD21 ASN A 70 25.039 24.317 46.016 1.00 0.00 H new ATOM 0 HD22 ASN A 70 26.021 23.656 44.705 1.00 0.00 H new ATOM 1006 N ASP A 71 25.861 29.200 43.648 1.00 0.00 N ATOM 1007 CA ASP A 71 25.029 30.375 43.962 1.00 0.00 C ATOM 1008 C ASP A 71 24.903 31.317 42.758 1.00 0.00 C ATOM 1009 O ASP A 71 23.822 31.867 42.564 1.00 0.00 O ATOM 1010 CB ASP A 71 25.599 31.164 45.157 1.00 0.00 C ATOM 1011 CG ASP A 71 24.564 32.076 45.837 1.00 0.00 C ATOM 1012 OD1 ASP A 71 23.449 31.605 46.173 1.00 0.00 O ATOM 1013 OD2 ASP A 71 24.827 33.287 46.034 1.00 0.00 O ATOM 0 H ASP A 71 26.766 29.213 44.118 1.00 0.00 H new ATOM 0 HA ASP A 71 24.041 29.994 44.220 1.00 0.00 H new ATOM 0 HB2 ASP A 71 25.992 30.462 45.892 1.00 0.00 H new ATOM 0 HB3 ASP A 71 26.438 31.771 44.815 1.00 0.00 H new ATOM 1018 N MET A 72 25.974 31.440 41.951 1.00 0.00 N ATOM 1019 CA MET A 72 26.063 32.230 40.703 1.00 0.00 C ATOM 1020 C MET A 72 25.129 31.660 39.628 1.00 0.00 C ATOM 1021 O MET A 72 24.560 32.386 38.816 1.00 0.00 O ATOM 1022 CB MET A 72 27.520 32.275 40.213 1.00 0.00 C ATOM 1023 CG MET A 72 28.519 32.735 41.290 1.00 0.00 C ATOM 1024 SD MET A 72 28.186 34.366 42.015 1.00 0.00 S ATOM 1025 CE MET A 72 29.828 34.718 42.696 1.00 0.00 C ATOM 0 H MET A 72 26.851 30.965 42.162 1.00 0.00 H new ATOM 0 HA MET A 72 25.739 33.250 40.908 1.00 0.00 H new ATOM 0 HB2 MET A 72 27.807 31.284 39.863 1.00 0.00 H new ATOM 0 HB3 MET A 72 27.586 32.947 39.357 1.00 0.00 H new ATOM 0 HG2 MET A 72 28.530 31.996 42.091 1.00 0.00 H new ATOM 0 HG3 MET A 72 29.518 32.747 40.854 1.00 0.00 H new ATOM 0 HE1 MET A 72 29.818 35.691 43.186 1.00 0.00 H new ATOM 0 HE2 MET A 72 30.093 33.949 43.422 1.00 0.00 H new ATOM 0 HE3 MET A 72 30.562 34.726 41.890 1.00 0.00 H new ATOM 1035 N LEU A 73 24.902 30.346 39.700 1.00 0.00 N ATOM 1036 CA LEU A 73 24.119 29.572 38.752 1.00 0.00 C ATOM 1037 C LEU A 73 22.619 29.753 39.022 1.00 0.00 C ATOM 1038 O LEU A 73 21.865 30.129 38.129 1.00 0.00 O ATOM 1039 CB LEU A 73 24.597 28.104 38.770 1.00 0.00 C ATOM 1040 CG LEU A 73 26.122 27.882 38.763 1.00 0.00 C ATOM 1041 CD1 LEU A 73 26.421 26.384 38.689 1.00 0.00 C ATOM 1042 CD2 LEU A 73 26.819 28.547 37.574 1.00 0.00 C ATOM 0 H LEU A 73 25.278 29.774 40.456 1.00 0.00 H new ATOM 0 HA LEU A 73 24.275 29.935 37.736 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.185 27.621 39.656 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.173 27.596 37.904 1.00 0.00 H new ATOM 0 HG LEU A 73 26.501 28.331 39.681 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.500 26.228 38.684 1.00 0.00 H new ATOM 0 HD12 LEU A 73 25.986 25.883 39.554 1.00 0.00 H new ATOM 0 HD13 LEU A 73 25.991 25.972 37.776 1.00 0.00 H new ATOM 0 HD21 LEU A 73 27.891 28.354 37.626 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.422 28.139 36.645 1.00 0.00 H new ATOM 0 HD23 LEU A 73 26.642 29.622 37.603 1.00 0.00 H new ATOM 1054 N ASP A 74 22.183 29.561 40.272 1.00 0.00 N ATOM 1055 CA ASP A 74 20.803 29.803 40.716 1.00 0.00 C ATOM 1056 C ASP A 74 20.299 31.246 40.522 1.00 0.00 C ATOM 1057 O ASP A 74 19.097 31.470 40.675 1.00 0.00 O ATOM 1058 CB ASP A 74 20.623 29.364 42.182 1.00 0.00 C ATOM 1059 CG ASP A 74 19.827 28.057 42.289 1.00 0.00 C ATOM 1060 OD1 ASP A 74 18.605 28.075 41.980 1.00 0.00 O ATOM 1061 OD2 ASP A 74 20.403 27.018 42.697 1.00 0.00 O ATOM 0 H ASP A 74 22.791 29.226 41.020 1.00 0.00 H new ATOM 0 HA ASP A 74 20.183 29.193 40.060 1.00 0.00 H new ATOM 0 HB2 ASP A 74 21.601 29.234 42.646 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.110 30.149 42.737 1.00 0.00 H new ATOM 1066 N LEU A 75 21.152 32.214 40.168 1.00 0.00 N ATOM 1067 CA LEU A 75 20.713 33.559 39.772 1.00 0.00 C ATOM 1068 C LEU A 75 19.948 33.555 38.436 1.00 0.00 C ATOM 1069 O LEU A 75 19.181 34.486 38.158 1.00 0.00 O ATOM 1070 CB LEU A 75 21.924 34.504 39.703 1.00 0.00 C ATOM 1071 CG LEU A 75 22.826 34.507 40.949 1.00 0.00 C ATOM 1072 CD1 LEU A 75 23.815 35.658 40.862 1.00 0.00 C ATOM 1073 CD2 LEU A 75 22.056 34.628 42.259 1.00 0.00 C ATOM 0 H LEU A 75 22.164 32.089 40.148 1.00 0.00 H new ATOM 0 HA LEU A 75 20.017 33.917 40.531 1.00 0.00 H new ATOM 0 HB2 LEU A 75 22.528 34.231 38.838 1.00 0.00 H new ATOM 0 HB3 LEU A 75 21.563 35.518 39.533 1.00 0.00 H new ATOM 0 HG LEU A 75 23.335 33.543 40.958 1.00 0.00 H new ATOM 0 HD11 LEU A 75 24.453 35.657 41.746 1.00 0.00 H new ATOM 0 HD12 LEU A 75 24.431 35.542 39.970 1.00 0.00 H new ATOM 0 HD13 LEU A 75 23.272 36.601 40.807 1.00 0.00 H new ATOM 0 HD21 LEU A 75 22.756 34.623 43.094 1.00 0.00 H new ATOM 0 HD22 LEU A 75 21.491 35.560 42.264 1.00 0.00 H new ATOM 0 HD23 LEU A 75 21.369 33.787 42.356 1.00 0.00 H new ATOM 1085 N ALA A 76 20.117 32.499 37.633 1.00 0.00 N ATOM 1086 CA ALA A 76 19.240 32.182 36.511 1.00 0.00 C ATOM 1087 C ALA A 76 17.867 31.666 36.980 1.00 0.00 C ATOM 1088 O ALA A 76 17.753 30.961 37.991 1.00 0.00 O ATOM 1089 CB ALA A 76 19.919 31.123 35.634 1.00 0.00 C ATOM 0 H ALA A 76 20.880 31.833 37.750 1.00 0.00 H new ATOM 0 HA ALA A 76 19.068 33.096 35.943 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.272 30.879 34.792 1.00 0.00 H new ATOM 0 HB2 ALA A 76 20.867 31.512 35.262 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.102 30.225 36.224 1.00 0.00 H new ATOM 1095 N TYR A 77 16.822 31.929 36.192 1.00 0.00 N ATOM 1096 CA TYR A 77 15.563 31.190 36.293 1.00 0.00 C ATOM 1097 C TYR A 77 15.755 29.731 35.890 1.00 0.00 C ATOM 1098 O TYR A 77 16.321 29.438 34.831 1.00 0.00 O ATOM 1099 CB TYR A 77 14.499 31.824 35.393 1.00 0.00 C ATOM 1100 CG TYR A 77 13.164 31.100 35.339 1.00 0.00 C ATOM 1101 CD1 TYR A 77 12.234 31.260 36.385 1.00 0.00 C ATOM 1102 CD2 TYR A 77 12.837 30.296 34.228 1.00 0.00 C ATOM 1103 CE1 TYR A 77 10.975 30.629 36.320 1.00 0.00 C ATOM 1104 CE2 TYR A 77 11.571 29.682 34.151 1.00 0.00 C ATOM 1105 CZ TYR A 77 10.637 29.846 35.197 1.00 0.00 C ATOM 1106 OH TYR A 77 9.406 29.280 35.090 1.00 0.00 O ATOM 0 H TYR A 77 16.824 32.653 35.473 1.00 0.00 H new ATOM 0 HA TYR A 77 15.235 31.232 37.332 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.324 32.845 35.732 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.898 31.888 34.381 1.00 0.00 H new ATOM 0 HD1 TYR A 77 12.487 31.869 37.241 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.557 30.151 33.436 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.270 30.745 37.130 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.314 29.084 33.289 1.00 0.00 H new ATOM 0 HH TYR A 77 9.349 28.777 34.251 1.00 0.00 H new ATOM 1116 N GLY A 78 15.192 28.824 36.687 1.00 0.00 N ATOM 1117 CA GLY A 78 14.865 27.492 36.201 1.00 0.00 C ATOM 1118 C GLY A 78 16.062 26.560 35.986 1.00 0.00 C ATOM 1119 O GLY A 78 16.049 25.742 35.062 1.00 0.00 O ATOM 0 H GLY A 78 14.956 28.989 37.665 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.183 27.022 36.910 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.328 27.589 35.258 1.00 0.00 H new ATOM 1123 N LEU A 79 17.087 26.681 36.837 1.00 0.00 N ATOM 1124 CA LEU A 79 18.338 25.910 36.804 1.00 0.00 C ATOM 1125 C LEU A 79 18.141 24.383 36.781 1.00 0.00 C ATOM 1126 O LEU A 79 17.190 23.860 37.371 1.00 0.00 O ATOM 1127 CB LEU A 79 19.236 26.442 37.930 1.00 0.00 C ATOM 1128 CG LEU A 79 20.644 25.832 37.878 1.00 0.00 C ATOM 1129 CD1 LEU A 79 21.671 26.795 38.407 1.00 0.00 C ATOM 1130 CD2 LEU A 79 20.784 24.598 38.746 1.00 0.00 C ATOM 0 H LEU A 79 17.067 27.352 37.605 1.00 0.00 H new ATOM 0 HA LEU A 79 18.845 26.065 35.851 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.308 27.527 37.855 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.779 26.219 38.894 1.00 0.00 H new ATOM 0 HG LEU A 79 20.799 25.587 36.827 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.659 26.337 38.358 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.662 27.703 37.805 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.437 27.044 39.442 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.800 24.212 38.668 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.573 24.857 39.783 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.080 23.836 38.412 1.00 0.00 H new ATOM 1142 N THR A 80 19.049 23.666 36.111 1.00 0.00 N ATOM 1143 CA THR A 80 18.995 22.218 35.864 1.00 0.00 C ATOM 1144 C THR A 80 20.107 21.476 36.598 1.00 0.00 C ATOM 1145 O THR A 80 21.150 22.033 36.925 1.00 0.00 O ATOM 1146 CB THR A 80 19.116 21.920 34.368 1.00 0.00 C ATOM 1147 OG1 THR A 80 18.382 22.834 33.568 1.00 0.00 O ATOM 1148 CG2 THR A 80 18.763 20.512 33.918 1.00 0.00 C ATOM 0 H THR A 80 19.880 24.097 35.707 1.00 0.00 H new ATOM 0 HA THR A 80 18.032 21.872 36.238 1.00 0.00 H new ATOM 0 HB THR A 80 20.189 22.034 34.215 1.00 0.00 H new ATOM 0 HG1 THR A 80 18.360 22.514 32.642 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.890 20.432 32.838 1.00 0.00 H new ATOM 0 HG22 THR A 80 19.418 19.796 34.414 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.727 20.296 34.178 1.00 0.00 H new ATOM 1156 N GLU A 81 19.941 20.170 36.760 1.00 0.00 N ATOM 1157 CA GLU A 81 20.858 19.327 37.548 1.00 0.00 C ATOM 1158 C GLU A 81 22.208 19.052 36.854 1.00 0.00 C ATOM 1159 O GLU A 81 23.074 18.401 37.442 1.00 0.00 O ATOM 1160 CB GLU A 81 20.179 18.021 38.002 1.00 0.00 C ATOM 1161 CG GLU A 81 18.941 18.266 38.880 1.00 0.00 C ATOM 1162 CD GLU A 81 18.423 16.993 39.566 1.00 0.00 C ATOM 1163 OE1 GLU A 81 19.246 16.271 40.183 1.00 0.00 O ATOM 1164 OE2 GLU A 81 17.188 16.759 39.576 1.00 0.00 O ATOM 0 H GLU A 81 19.164 19.653 36.349 1.00 0.00 H new ATOM 0 HA GLU A 81 21.100 19.911 38.436 1.00 0.00 H new ATOM 0 HB2 GLU A 81 19.888 17.444 37.124 1.00 0.00 H new ATOM 0 HB3 GLU A 81 20.898 17.417 38.556 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.184 19.007 39.641 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.146 18.689 38.266 1.00 0.00 H new ATOM 1171 N THR A 82 22.415 19.573 35.636 1.00 0.00 N ATOM 1172 CA THR A 82 23.705 19.557 34.937 1.00 0.00 C ATOM 1173 C THR A 82 24.318 20.951 34.773 1.00 0.00 C ATOM 1174 O THR A 82 25.106 21.218 33.859 1.00 0.00 O ATOM 1175 CB THR A 82 23.651 18.802 33.618 1.00 0.00 C ATOM 1176 OG1 THR A 82 22.781 19.436 32.699 1.00 0.00 O ATOM 1177 CG2 THR A 82 23.191 17.356 33.735 1.00 0.00 C ATOM 0 H THR A 82 21.675 20.026 35.100 1.00 0.00 H new ATOM 0 HA THR A 82 24.379 19.001 35.589 1.00 0.00 H new ATOM 0 HB THR A 82 24.685 18.809 33.272 1.00 0.00 H new ATOM 0 HG1 THR A 82 23.256 19.598 31.857 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.183 16.896 32.747 1.00 0.00 H new ATOM 0 HG22 THR A 82 23.874 16.808 34.385 1.00 0.00 H new ATOM 0 HG23 THR A 82 22.186 17.327 34.157 1.00 0.00 H new ATOM 1185 N SER A 83 23.956 21.888 35.647 1.00 0.00 N ATOM 1186 CA SER A 83 24.564 23.203 35.681 1.00 0.00 C ATOM 1187 C SER A 83 26.086 23.134 35.951 1.00 0.00 C ATOM 1188 O SER A 83 26.563 22.314 36.739 1.00 0.00 O ATOM 1189 CB SER A 83 23.794 24.048 36.692 1.00 0.00 C ATOM 1190 OG SER A 83 24.196 23.778 38.025 1.00 0.00 O ATOM 0 H SER A 83 23.230 21.750 36.350 1.00 0.00 H new ATOM 0 HA SER A 83 24.492 23.681 34.704 1.00 0.00 H new ATOM 0 HB2 SER A 83 23.948 25.105 36.474 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.726 23.854 36.589 1.00 0.00 H new ATOM 0 HG SER A 83 24.086 24.585 38.570 1.00 0.00 H new ATOM 1196 N ARG A 84 26.900 23.922 35.243 1.00 0.00 N ATOM 1197 CA ARG A 84 28.352 23.673 35.099 1.00 0.00 C ATOM 1198 C ARG A 84 29.198 24.613 35.968 1.00 0.00 C ATOM 1199 O ARG A 84 28.839 25.754 36.225 1.00 0.00 O ATOM 1200 CB ARG A 84 28.720 23.656 33.609 1.00 0.00 C ATOM 1201 CG ARG A 84 28.956 22.272 32.983 1.00 0.00 C ATOM 1202 CD ARG A 84 30.411 21.785 32.987 1.00 0.00 C ATOM 1203 NE ARG A 84 30.673 20.739 31.963 1.00 0.00 N ATOM 1204 CZ ARG A 84 31.768 20.562 31.227 1.00 0.00 C ATOM 1205 NH1 ARG A 84 32.770 21.399 31.227 1.00 0.00 N ATOM 1206 NH2 ARG A 84 31.898 19.503 30.477 1.00 0.00 N ATOM 0 H ARG A 84 26.578 24.754 34.749 1.00 0.00 H new ATOM 0 HA ARG A 84 28.595 22.686 35.493 1.00 0.00 H new ATOM 0 HB2 ARG A 84 27.924 24.152 33.054 1.00 0.00 H new ATOM 0 HB3 ARG A 84 29.622 24.252 33.472 1.00 0.00 H new ATOM 0 HG2 ARG A 84 28.346 21.543 33.516 1.00 0.00 H new ATOM 0 HG3 ARG A 84 28.601 22.293 31.953 1.00 0.00 H new ATOM 0 HD2 ARG A 84 31.073 22.633 32.811 1.00 0.00 H new ATOM 0 HD3 ARG A 84 30.654 21.390 33.973 1.00 0.00 H new ATOM 0 HE ARG A 84 29.918 20.072 31.804 1.00 0.00 H new ATOM 0 HH11 ARG A 84 32.736 22.235 31.810 1.00 0.00 H new ATOM 0 HH12 ARG A 84 33.587 21.217 30.644 1.00 0.00 H new ATOM 0 HH21 ARG A 84 31.157 18.802 30.451 1.00 0.00 H new ATOM 0 HH22 ARG A 84 32.740 19.375 29.916 1.00 0.00 H new ATOM 1220 N LEU A 85 30.304 24.082 36.489 1.00 0.00 N ATOM 1221 CA LEU A 85 30.764 24.449 37.830 1.00 0.00 C ATOM 1222 C LEU A 85 31.666 25.692 37.836 1.00 0.00 C ATOM 1223 O LEU A 85 32.820 25.631 37.397 1.00 0.00 O ATOM 1224 CB LEU A 85 31.466 23.243 38.514 1.00 0.00 C ATOM 1225 CG LEU A 85 31.631 21.918 37.748 1.00 0.00 C ATOM 1226 CD1 LEU A 85 32.603 21.004 38.486 1.00 0.00 C ATOM 1227 CD2 LEU A 85 30.304 21.172 37.597 1.00 0.00 C ATOM 0 H LEU A 85 30.894 23.402 36.009 1.00 0.00 H new ATOM 0 HA LEU A 85 29.878 24.715 38.407 1.00 0.00 H new ATOM 0 HB2 LEU A 85 32.461 23.572 38.812 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.916 23.023 39.429 1.00 0.00 H new ATOM 0 HG LEU A 85 32.009 22.172 36.758 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.713 20.069 37.936 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.573 21.494 38.566 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.219 20.794 39.484 1.00 0.00 H new ATOM 0 HD21 LEU A 85 30.469 20.243 37.050 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.900 20.946 38.584 1.00 0.00 H new ATOM 0 HD23 LEU A 85 29.597 21.795 37.049 1.00 0.00 H new ATOM 1239 N GLY A 86 31.152 26.788 38.412 1.00 0.00 N ATOM 1240 CA GLY A 86 31.799 28.111 38.505 1.00 0.00 C ATOM 1241 C GLY A 86 32.355 28.668 37.187 1.00 0.00 C ATOM 1242 O GLY A 86 33.196 29.563 37.225 1.00 0.00 O ATOM 0 H GLY A 86 30.230 26.779 38.848 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.076 28.823 38.904 1.00 0.00 H new ATOM 0 HA3 GLY A 86 32.615 28.048 39.225 1.00 0.00 H new ATOM 1246 N CYS A 87 32.010 28.017 36.071 1.00 0.00 N ATOM 1247 CA CYS A 87 32.599 28.016 34.727 1.00 0.00 C ATOM 1248 C CYS A 87 34.135 27.976 34.608 1.00 0.00 C ATOM 1249 O CYS A 87 34.655 27.890 33.498 1.00 0.00 O ATOM 1250 CB CYS A 87 31.935 29.100 33.904 1.00 0.00 C ATOM 1251 SG CYS A 87 30.340 29.608 34.563 1.00 0.00 S ATOM 0 H CYS A 87 31.202 27.395 36.093 1.00 0.00 H new ATOM 0 HA CYS A 87 32.376 27.035 34.308 1.00 0.00 H new ATOM 0 HB2 CYS A 87 32.594 29.967 33.856 1.00 0.00 H new ATOM 0 HB3 CYS A 87 31.803 28.743 32.883 1.00 0.00 H new ATOM 1256 N GLN A 88 34.855 27.957 35.730 1.00 0.00 N ATOM 1257 CA GLN A 88 36.277 27.640 35.893 1.00 0.00 C ATOM 1258 C GLN A 88 36.576 26.158 35.587 1.00 0.00 C ATOM 1259 O GLN A 88 37.728 25.785 35.360 1.00 0.00 O ATOM 1260 CB GLN A 88 36.659 27.974 37.343 1.00 0.00 C ATOM 1261 CG GLN A 88 36.609 29.481 37.660 1.00 0.00 C ATOM 1262 CD GLN A 88 36.307 29.718 39.133 1.00 0.00 C ATOM 1263 OE1 GLN A 88 37.149 29.523 40.005 1.00 0.00 O ATOM 1264 NE2 GLN A 88 35.088 30.060 39.477 1.00 0.00 N ATOM 0 H GLN A 88 34.422 28.182 36.626 1.00 0.00 H new ATOM 0 HA GLN A 88 36.864 28.227 35.187 1.00 0.00 H new ATOM 0 HB2 GLN A 88 35.986 27.446 38.019 1.00 0.00 H new ATOM 0 HB3 GLN A 88 37.665 27.602 37.540 1.00 0.00 H new ATOM 0 HG2 GLN A 88 37.562 29.943 37.401 1.00 0.00 H new ATOM 0 HG3 GLN A 88 35.846 29.960 37.047 1.00 0.00 H new ATOM 0 HE21 GLN A 88 34.382 30.224 38.759 1.00 0.00 H new ATOM 0 HE22 GLN A 88 34.846 30.162 40.463 1.00 0.00 H new ATOM 1273 N ILE A 89 35.531 25.321 35.546 1.00 0.00 N ATOM 1274 CA ILE A 89 35.569 23.971 34.982 1.00 0.00 C ATOM 1275 C ILE A 89 35.855 24.004 33.470 1.00 0.00 C ATOM 1276 O ILE A 89 35.454 24.935 32.766 1.00 0.00 O ATOM 1277 CB ILE A 89 34.267 23.224 35.314 1.00 0.00 C ATOM 1278 CG1 ILE A 89 34.624 21.718 35.327 1.00 0.00 C ATOM 1279 CG2 ILE A 89 33.065 23.677 34.433 1.00 0.00 C ATOM 1280 CD1 ILE A 89 33.727 20.801 34.531 1.00 0.00 C ATOM 0 H ILE A 89 34.614 25.573 35.914 1.00 0.00 H new ATOM 0 HA ILE A 89 36.393 23.422 35.439 1.00 0.00 H new ATOM 0 HB ILE A 89 33.877 23.474 36.300 1.00 0.00 H new ATOM 0 HG12 ILE A 89 35.642 21.607 34.953 1.00 0.00 H new ATOM 0 HG13 ILE A 89 34.625 21.378 36.363 1.00 0.00 H new ATOM 0 HG21 ILE A 89 32.175 23.114 34.714 1.00 0.00 H new ATOM 0 HG22 ILE A 89 32.884 24.741 34.584 1.00 0.00 H new ATOM 0 HG23 ILE A 89 33.294 23.493 33.383 1.00 0.00 H new ATOM 0 HD11 ILE A 89 34.083 19.775 34.621 1.00 0.00 H new ATOM 0 HD12 ILE A 89 32.708 20.866 34.913 1.00 0.00 H new ATOM 0 HD13 ILE A 89 33.741 21.099 33.483 1.00 0.00 H new ATOM 1292 N LYS A 90 36.523 22.966 32.958 1.00 0.00 N ATOM 1293 CA LYS A 90 37.210 22.997 31.664 1.00 0.00 C ATOM 1294 C LYS A 90 36.807 21.902 30.663 1.00 0.00 C ATOM 1295 O LYS A 90 35.837 21.163 30.868 1.00 0.00 O ATOM 1296 CB LYS A 90 38.734 23.114 31.935 1.00 0.00 C ATOM 1297 CG LYS A 90 39.357 22.264 33.058 1.00 0.00 C ATOM 1298 CD LYS A 90 39.481 20.787 32.681 1.00 0.00 C ATOM 1299 CE LYS A 90 40.113 20.017 33.839 1.00 0.00 C ATOM 1300 NZ LYS A 90 40.070 18.554 33.622 1.00 0.00 N ATOM 0 H LYS A 90 36.603 22.069 33.437 1.00 0.00 H new ATOM 0 HA LYS A 90 36.874 23.879 31.119 1.00 0.00 H new ATOM 0 HB2 LYS A 90 39.253 22.868 31.009 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.951 24.160 32.154 1.00 0.00 H new ATOM 0 HG2 LYS A 90 40.344 22.657 33.300 1.00 0.00 H new ATOM 0 HG3 LYS A 90 38.748 22.355 33.957 1.00 0.00 H new ATOM 0 HD2 LYS A 90 38.498 20.376 32.450 1.00 0.00 H new ATOM 0 HD3 LYS A 90 40.090 20.680 31.783 1.00 0.00 H new ATOM 0 HE2 LYS A 90 41.148 20.335 33.963 1.00 0.00 H new ATOM 0 HE3 LYS A 90 39.591 20.262 34.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 40.509 18.070 34.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 39.081 18.246 33.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 40.590 18.317 32.753 1.00 0.00 H new ATOM 1314 N MET A 91 37.512 21.876 29.532 1.00 0.00 N ATOM 1315 CA MET A 91 37.546 20.781 28.561 1.00 0.00 C ATOM 1316 C MET A 91 38.390 19.602 29.077 1.00 0.00 C ATOM 1317 O MET A 91 39.479 19.830 29.592 1.00 0.00 O ATOM 1318 CB MET A 91 38.149 21.271 27.229 1.00 0.00 C ATOM 1319 CG MET A 91 37.371 22.391 26.533 1.00 0.00 C ATOM 1320 SD MET A 91 35.677 21.992 26.029 1.00 0.00 S ATOM 1321 CE MET A 91 36.022 20.962 24.571 1.00 0.00 C ATOM 0 H MET A 91 38.105 22.658 29.254 1.00 0.00 H new ATOM 0 HA MET A 91 36.520 20.445 28.410 1.00 0.00 H new ATOM 0 HB2 MET A 91 39.165 21.618 27.415 1.00 0.00 H new ATOM 0 HB3 MET A 91 38.221 20.423 26.548 1.00 0.00 H new ATOM 0 HG2 MET A 91 37.336 23.251 27.202 1.00 0.00 H new ATOM 0 HG3 MET A 91 37.929 22.697 25.648 1.00 0.00 H new ATOM 0 HE1 MET A 91 35.218 20.237 24.439 1.00 0.00 H new ATOM 0 HE2 MET A 91 36.089 21.595 23.686 1.00 0.00 H new ATOM 0 HE3 MET A 91 36.966 20.435 24.713 1.00 0.00 H new ATOM 1331 N SER A 92 37.944 18.363 28.865 1.00 0.00 N ATOM 1332 CA SER A 92 38.655 17.110 29.187 1.00 0.00 C ATOM 1333 C SER A 92 38.659 16.135 27.995 1.00 0.00 C ATOM 1334 O SER A 92 38.149 16.467 26.925 1.00 0.00 O ATOM 1335 CB SER A 92 38.040 16.455 30.423 1.00 0.00 C ATOM 1336 OG SER A 92 36.810 15.835 30.118 1.00 0.00 O ATOM 0 H SER A 92 37.032 18.190 28.443 1.00 0.00 H new ATOM 0 HA SER A 92 39.694 17.361 29.403 1.00 0.00 H new ATOM 0 HB2 SER A 92 38.732 15.716 30.827 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.888 17.207 31.198 1.00 0.00 H new ATOM 0 HG SER A 92 36.442 15.423 30.927 1.00 0.00 H new ATOM 1342 N LYS A 93 39.227 14.930 28.138 1.00 0.00 N ATOM 1343 CA LYS A 93 39.220 13.903 27.080 1.00 0.00 C ATOM 1344 C LYS A 93 37.916 13.097 26.960 1.00 0.00 C ATOM 1345 O LYS A 93 37.602 12.601 25.877 1.00 0.00 O ATOM 1346 CB LYS A 93 40.471 13.039 27.267 1.00 0.00 C ATOM 1347 CG LYS A 93 40.581 11.930 26.211 1.00 0.00 C ATOM 1348 CD LYS A 93 42.011 11.423 26.019 1.00 0.00 C ATOM 1349 CE LYS A 93 42.699 11.057 27.333 1.00 0.00 C ATOM 1350 NZ LYS A 93 44.078 10.592 27.075 1.00 0.00 N ATOM 0 H LYS A 93 39.705 14.637 28.990 1.00 0.00 H new ATOM 0 HA LYS A 93 39.254 14.401 26.111 1.00 0.00 H new ATOM 0 HB2 LYS A 93 41.357 13.672 27.218 1.00 0.00 H new ATOM 0 HB3 LYS A 93 40.454 12.590 28.260 1.00 0.00 H new ATOM 0 HG2 LYS A 93 39.942 11.096 26.501 1.00 0.00 H new ATOM 0 HG3 LYS A 93 40.204 12.304 25.259 1.00 0.00 H new ATOM 0 HD2 LYS A 93 41.996 10.549 25.368 1.00 0.00 H new ATOM 0 HD3 LYS A 93 42.596 12.189 25.510 1.00 0.00 H new ATOM 0 HE2 LYS A 93 42.717 11.922 27.996 1.00 0.00 H new ATOM 0 HE3 LYS A 93 42.134 10.277 27.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 44.536 10.346 27.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 44.052 9.754 26.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 44.618 11.348 26.608 1.00 0.00 H new ATOM 1364 N ASP A 94 37.130 12.991 28.034 1.00 0.00 N ATOM 1365 CA ASP A 94 35.831 12.284 28.029 1.00 0.00 C ATOM 1366 C ASP A 94 34.767 12.986 27.163 1.00 0.00 C ATOM 1367 O ASP A 94 33.885 12.356 26.584 1.00 0.00 O ATOM 1368 CB ASP A 94 35.272 12.210 29.460 1.00 0.00 C ATOM 1369 CG ASP A 94 35.933 11.150 30.337 1.00 0.00 C ATOM 1370 OD1 ASP A 94 35.877 9.952 29.971 1.00 0.00 O ATOM 1371 OD2 ASP A 94 36.470 11.510 31.412 1.00 0.00 O ATOM 0 H ASP A 94 37.371 13.393 28.940 1.00 0.00 H new ATOM 0 HA ASP A 94 36.027 11.295 27.614 1.00 0.00 H new ATOM 0 HB2 ASP A 94 35.391 13.184 29.935 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.202 12.008 29.410 1.00 0.00 H new ATOM 1376 N ILE A 95 34.844 14.308 27.091 1.00 0.00 N ATOM 1377 CA ILE A 95 33.837 15.238 26.555 1.00 0.00 C ATOM 1378 C ILE A 95 33.986 15.471 25.058 1.00 0.00 C ATOM 1379 O ILE A 95 33.742 16.571 24.568 1.00 0.00 O ATOM 1380 CB ILE A 95 33.889 16.536 27.356 1.00 0.00 C ATOM 1381 CG1 ILE A 95 35.247 17.217 27.123 1.00 0.00 C ATOM 1382 CG2 ILE A 95 33.603 16.293 28.841 1.00 0.00 C ATOM 1383 CD1 ILE A 95 35.126 18.724 27.005 1.00 0.00 C ATOM 0 H ILE A 95 35.669 14.803 27.428 1.00 0.00 H new ATOM 0 HA ILE A 95 32.850 14.789 26.669 1.00 0.00 H new ATOM 0 HB ILE A 95 33.103 17.207 27.009 1.00 0.00 H new ATOM 0 HG12 ILE A 95 35.919 16.973 27.946 1.00 0.00 H new ATOM 0 HG13 ILE A 95 35.699 16.819 26.214 1.00 0.00 H new ATOM 0 HG21 ILE A 95 33.649 17.239 29.380 1.00 0.00 H new ATOM 0 HG22 ILE A 95 32.610 15.859 28.954 1.00 0.00 H new ATOM 0 HG23 ILE A 95 34.347 15.608 29.247 1.00 0.00 H new ATOM 0 HD11 ILE A 95 36.113 19.157 26.841 1.00 0.00 H new ATOM 0 HD12 ILE A 95 34.477 18.972 26.165 1.00 0.00 H new ATOM 0 HD13 ILE A 95 34.701 19.128 27.924 1.00 0.00 H new ATOM 1395 N ASP A 96 34.479 14.475 24.340 1.00 0.00 N ATOM 1396 CA ASP A 96 34.912 14.608 22.959 1.00 0.00 C ATOM 1397 C ASP A 96 33.690 14.755 22.023 1.00 0.00 C ATOM 1398 O ASP A 96 33.225 13.808 21.375 1.00 0.00 O ATOM 1399 CB ASP A 96 35.855 13.434 22.681 1.00 0.00 C ATOM 1400 CG ASP A 96 36.290 13.274 21.226 1.00 0.00 C ATOM 1401 OD1 ASP A 96 36.721 14.271 20.598 1.00 0.00 O ATOM 1402 OD2 ASP A 96 36.207 12.138 20.702 1.00 0.00 O ATOM 0 H ASP A 96 34.592 13.531 24.709 1.00 0.00 H new ATOM 0 HA ASP A 96 35.476 15.520 22.764 1.00 0.00 H new ATOM 0 HB2 ASP A 96 36.746 13.552 23.298 1.00 0.00 H new ATOM 0 HB3 ASP A 96 35.366 12.514 23.000 1.00 0.00 H new ATOM 1407 N GLY A 97 33.167 15.984 21.981 1.00 0.00 N ATOM 1408 CA GLY A 97 31.848 16.357 21.430 1.00 0.00 C ATOM 1409 C GLY A 97 30.894 17.135 22.358 1.00 0.00 C ATOM 1410 O GLY A 97 29.697 17.222 22.058 1.00 0.00 O ATOM 0 H GLY A 97 33.672 16.791 22.347 1.00 0.00 H new ATOM 0 HA2 GLY A 97 32.013 16.956 20.535 1.00 0.00 H new ATOM 0 HA3 GLY A 97 31.343 15.444 21.114 1.00 0.00 H new ATOM 1414 N ILE A 98 31.390 17.692 23.472 1.00 0.00 N ATOM 1415 CA ILE A 98 30.652 18.473 24.480 1.00 0.00 C ATOM 1416 C ILE A 98 29.686 19.528 23.927 1.00 0.00 C ATOM 1417 O ILE A 98 29.939 20.181 22.911 1.00 0.00 O ATOM 1418 CB ILE A 98 31.677 19.142 25.429 1.00 0.00 C ATOM 1419 CG1 ILE A 98 31.154 19.425 26.854 1.00 0.00 C ATOM 1420 CG2 ILE A 98 32.387 20.353 24.814 1.00 0.00 C ATOM 1421 CD1 ILE A 98 30.866 20.886 27.209 1.00 0.00 C ATOM 0 H ILE A 98 32.378 17.605 23.710 1.00 0.00 H new ATOM 0 HA ILE A 98 30.010 17.762 25.001 1.00 0.00 H new ATOM 0 HB ILE A 98 32.439 18.374 25.558 1.00 0.00 H new ATOM 0 HG12 ILE A 98 30.237 18.854 26.998 1.00 0.00 H new ATOM 0 HG13 ILE A 98 31.884 19.041 27.566 1.00 0.00 H new ATOM 0 HG21 ILE A 98 33.089 20.769 25.537 1.00 0.00 H new ATOM 0 HG22 ILE A 98 32.928 20.042 23.920 1.00 0.00 H new ATOM 0 HG23 ILE A 98 31.650 21.110 24.547 1.00 0.00 H new ATOM 0 HD11 ILE A 98 30.505 20.947 28.236 1.00 0.00 H new ATOM 0 HD12 ILE A 98 31.780 21.471 27.110 1.00 0.00 H new ATOM 0 HD13 ILE A 98 30.107 21.282 26.534 1.00 0.00 H new ATOM 1433 N ARG A 99 28.613 19.762 24.688 1.00 0.00 N ATOM 1434 CA ARG A 99 27.689 20.891 24.544 1.00 0.00 C ATOM 1435 C ARG A 99 27.530 21.614 25.865 1.00 0.00 C ATOM 1436 O ARG A 99 27.562 20.970 26.917 1.00 0.00 O ATOM 1437 CB ARG A 99 26.280 20.381 24.184 1.00 0.00 C ATOM 1438 CG ARG A 99 25.432 21.318 23.314 1.00 0.00 C ATOM 1439 CD ARG A 99 23.945 20.929 23.404 1.00 0.00 C ATOM 1440 NE ARG A 99 23.631 19.705 22.639 1.00 0.00 N ATOM 1441 CZ ARG A 99 22.890 18.683 23.031 1.00 0.00 C ATOM 1442 NH1 ARG A 99 22.296 18.649 24.188 1.00 0.00 N ATOM 1443 NH2 ARG A 99 22.698 17.659 22.258 1.00 0.00 N ATOM 0 H ARG A 99 28.353 19.142 25.455 1.00 0.00 H new ATOM 0 HA ARG A 99 28.096 21.544 23.772 1.00 0.00 H new ATOM 0 HB2 ARG A 99 26.381 19.427 23.666 1.00 0.00 H new ATOM 0 HB3 ARG A 99 25.738 20.185 25.109 1.00 0.00 H new ATOM 0 HG2 ARG A 99 25.566 22.349 23.641 1.00 0.00 H new ATOM 0 HG3 ARG A 99 25.767 21.266 22.278 1.00 0.00 H new ATOM 0 HD2 ARG A 99 23.675 20.779 24.449 1.00 0.00 H new ATOM 0 HD3 ARG A 99 23.335 21.752 23.032 1.00 0.00 H new ATOM 0 HE ARG A 99 24.031 19.641 21.703 1.00 0.00 H new ATOM 0 HH11 ARG A 99 22.393 19.432 24.834 1.00 0.00 H new ATOM 0 HH12 ARG A 99 21.734 17.839 24.449 1.00 0.00 H new ATOM 0 HH21 ARG A 99 23.122 17.633 21.331 1.00 0.00 H new ATOM 0 HH22 ARG A 99 22.123 16.879 22.578 1.00 0.00 H new ATOM 1457 N VAL A 100 27.215 22.899 25.787 1.00 0.00 N ATOM 1458 CA VAL A 100 26.537 23.610 26.865 1.00 0.00 C ATOM 1459 C VAL A 100 25.527 24.642 26.346 1.00 0.00 C ATOM 1460 O VAL A 100 25.624 25.105 25.206 1.00 0.00 O ATOM 1461 CB VAL A 100 27.555 24.361 27.771 1.00 0.00 C ATOM 1462 CG1 VAL A 100 28.423 23.448 28.653 1.00 0.00 C ATOM 1463 CG2 VAL A 100 28.490 25.264 26.948 1.00 0.00 C ATOM 0 H VAL A 100 27.422 23.480 24.974 1.00 0.00 H new ATOM 0 HA VAL A 100 26.008 22.844 27.433 1.00 0.00 H new ATOM 0 HB VAL A 100 26.925 24.956 28.432 1.00 0.00 H new ATOM 0 HG11 VAL A 100 29.102 24.057 29.250 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.782 22.865 29.315 1.00 0.00 H new ATOM 0 HG13 VAL A 100 29.001 22.774 28.021 1.00 0.00 H new ATOM 0 HG21 VAL A 100 29.186 25.771 27.616 1.00 0.00 H new ATOM 0 HG22 VAL A 100 29.048 24.657 26.235 1.00 0.00 H new ATOM 0 HG23 VAL A 100 27.899 26.005 26.409 1.00 0.00 H new ATOM 1473 N ALA A 101 24.623 25.086 27.220 1.00 0.00 N ATOM 1474 CA ALA A 101 23.853 26.320 27.041 1.00 0.00 C ATOM 1475 C ALA A 101 24.307 27.390 28.051 1.00 0.00 C ATOM 1476 O ALA A 101 24.936 27.077 29.065 1.00 0.00 O ATOM 1477 CB ALA A 101 22.366 25.981 27.129 1.00 0.00 C ATOM 0 H ALA A 101 24.401 24.592 28.085 1.00 0.00 H new ATOM 0 HA ALA A 101 24.033 26.754 26.058 1.00 0.00 H new ATOM 0 HB1 ALA A 101 21.777 26.889 26.998 1.00 0.00 H new ATOM 0 HB2 ALA A 101 22.109 25.266 26.348 1.00 0.00 H new ATOM 0 HB3 ALA A 101 22.149 25.546 28.105 1.00 0.00 H new ATOM 1483 N LEU A 102 24.039 28.655 27.730 1.00 0.00 N ATOM 1484 CA LEU A 102 24.821 29.825 28.147 1.00 0.00 C ATOM 1485 C LEU A 102 23.929 30.964 28.715 1.00 0.00 C ATOM 1486 O LEU A 102 22.698 30.848 28.666 1.00 0.00 O ATOM 1487 CB LEU A 102 25.611 30.248 26.886 1.00 0.00 C ATOM 1488 CG LEU A 102 27.041 29.698 26.739 1.00 0.00 C ATOM 1489 CD1 LEU A 102 27.635 30.242 25.440 1.00 0.00 C ATOM 1490 CD2 LEU A 102 28.014 30.096 27.853 1.00 0.00 C ATOM 0 H LEU A 102 23.239 28.906 27.149 1.00 0.00 H new ATOM 0 HA LEU A 102 25.492 29.590 28.973 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.039 29.942 26.010 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.663 31.337 26.869 1.00 0.00 H new ATOM 0 HG LEU A 102 26.935 28.614 26.769 1.00 0.00 H new ATOM 0 HD11 LEU A 102 28.650 29.863 25.317 1.00 0.00 H new ATOM 0 HD12 LEU A 102 27.023 29.920 24.597 1.00 0.00 H new ATOM 0 HD13 LEU A 102 27.656 31.331 25.478 1.00 0.00 H new ATOM 0 HD21 LEU A 102 28.992 29.658 27.655 1.00 0.00 H new ATOM 0 HD22 LEU A 102 28.103 31.182 27.888 1.00 0.00 H new ATOM 0 HD23 LEU A 102 27.640 29.732 28.810 1.00 0.00 H new ATOM 1502 N PRO A 103 24.496 32.055 29.279 1.00 0.00 N ATOM 1503 CA PRO A 103 23.715 33.156 29.845 1.00 0.00 C ATOM 1504 C PRO A 103 23.112 34.074 28.766 1.00 0.00 C ATOM 1505 O PRO A 103 23.490 34.040 27.592 1.00 0.00 O ATOM 1506 CB PRO A 103 24.678 33.902 30.772 1.00 0.00 C ATOM 1507 CG PRO A 103 26.026 33.721 30.082 1.00 0.00 C ATOM 1508 CD PRO A 103 25.919 32.326 29.464 1.00 0.00 C ATOM 0 HA PRO A 103 22.847 32.783 30.388 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.412 34.955 30.868 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.679 33.480 31.777 1.00 0.00 H new ATOM 0 HG2 PRO A 103 26.196 34.485 29.324 1.00 0.00 H new ATOM 0 HG3 PRO A 103 26.852 33.785 30.790 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.448 32.283 28.512 1.00 0.00 H new ATOM 0 HD3 PRO A 103 26.374 31.579 30.115 1.00 0.00 H new ATOM 1516 N GLN A 104 22.150 34.901 29.173 1.00 0.00 N ATOM 1517 CA GLN A 104 21.394 35.823 28.321 1.00 0.00 C ATOM 1518 C GLN A 104 21.630 37.302 28.690 1.00 0.00 C ATOM 1519 O GLN A 104 21.652 38.152 27.797 1.00 0.00 O ATOM 1520 CB GLN A 104 19.911 35.418 28.400 1.00 0.00 C ATOM 1521 CG GLN A 104 19.077 36.027 27.267 1.00 0.00 C ATOM 1522 CD GLN A 104 17.646 35.495 27.223 1.00 0.00 C ATOM 1523 OE1 GLN A 104 17.040 35.120 28.221 1.00 0.00 O ATOM 1524 NE2 GLN A 104 17.053 35.433 26.056 1.00 0.00 N ATOM 0 H GLN A 104 21.862 34.950 30.150 1.00 0.00 H new ATOM 0 HA GLN A 104 21.742 35.744 27.291 1.00 0.00 H new ATOM 0 HB2 GLN A 104 19.832 34.332 28.362 1.00 0.00 H new ATOM 0 HB3 GLN A 104 19.501 35.734 29.359 1.00 0.00 H new ATOM 0 HG2 GLN A 104 19.052 37.110 27.384 1.00 0.00 H new ATOM 0 HG3 GLN A 104 19.564 35.821 26.314 1.00 0.00 H new ATOM 0 HE21 GLN A 104 17.545 35.741 25.217 1.00 0.00 H new ATOM 0 HE22 GLN A 104 16.100 35.076 25.987 1.00 0.00 H new ATOM 1533 N MET A 105 21.838 37.608 29.978 1.00 0.00 N ATOM 1534 CA MET A 105 22.339 38.905 30.464 1.00 0.00 C ATOM 1535 C MET A 105 22.898 38.797 31.896 1.00 0.00 C ATOM 1536 O MET A 105 22.133 38.683 32.861 1.00 0.00 O ATOM 1537 CB MET A 105 21.249 39.997 30.375 1.00 0.00 C ATOM 1538 CG MET A 105 19.842 39.608 30.850 1.00 0.00 C ATOM 1539 SD MET A 105 18.679 41.002 30.829 1.00 0.00 S ATOM 1540 CE MET A 105 17.165 40.142 31.333 1.00 0.00 C ATOM 0 H MET A 105 21.658 36.945 30.732 1.00 0.00 H new ATOM 0 HA MET A 105 23.161 39.199 29.812 1.00 0.00 H new ATOM 0 HB2 MET A 105 21.580 40.856 30.959 1.00 0.00 H new ATOM 0 HB3 MET A 105 21.179 40.324 29.338 1.00 0.00 H new ATOM 0 HG2 MET A 105 19.457 38.811 30.215 1.00 0.00 H new ATOM 0 HG3 MET A 105 19.903 39.208 31.862 1.00 0.00 H new ATOM 0 HE1 MET A 105 16.339 40.852 31.374 1.00 0.00 H new ATOM 0 HE2 MET A 105 16.934 39.358 30.611 1.00 0.00 H new ATOM 0 HE3 MET A 105 17.310 39.697 32.318 1.00 0.00 H new ATOM 1550 N THR A 106 24.231 38.832 32.044 1.00 0.00 N ATOM 1551 CA THR A 106 24.942 38.637 33.331 1.00 0.00 C ATOM 1552 C THR A 106 26.141 39.587 33.505 1.00 0.00 C ATOM 1553 O THR A 106 27.236 39.320 33.003 1.00 0.00 O ATOM 1554 CB THR A 106 25.378 37.168 33.514 1.00 0.00 C ATOM 1555 OG1 THR A 106 26.014 36.635 32.375 1.00 0.00 O ATOM 1556 CG2 THR A 106 24.181 36.263 33.772 1.00 0.00 C ATOM 0 H THR A 106 24.863 38.999 31.261 1.00 0.00 H new ATOM 0 HA THR A 106 24.226 38.887 34.114 1.00 0.00 H new ATOM 0 HB THR A 106 26.067 37.191 34.359 1.00 0.00 H new ATOM 0 HG1 THR A 106 26.269 35.705 32.548 1.00 0.00 H new ATOM 0 HG21 THR A 106 24.522 35.235 33.896 1.00 0.00 H new ATOM 0 HG22 THR A 106 23.668 36.587 34.677 1.00 0.00 H new ATOM 0 HG23 THR A 106 23.495 36.318 32.927 1.00 0.00 H new ATOM 1564 N ARG A 107 25.925 40.701 34.228 1.00 0.00 N ATOM 1565 CA ARG A 107 26.826 41.876 34.358 1.00 0.00 C ATOM 1566 C ARG A 107 27.248 42.540 33.028 1.00 0.00 C ATOM 1567 O ARG A 107 27.027 42.004 31.945 1.00 0.00 O ATOM 1568 CB ARG A 107 28.026 41.552 35.284 1.00 0.00 C ATOM 1569 CG ARG A 107 27.684 41.243 36.753 1.00 0.00 C ATOM 1570 CD ARG A 107 26.686 42.237 37.355 1.00 0.00 C ATOM 1571 NE ARG A 107 26.578 42.120 38.817 1.00 0.00 N ATOM 1572 CZ ARG A 107 25.646 42.669 39.570 1.00 0.00 C ATOM 1573 NH1 ARG A 107 24.655 43.360 39.092 1.00 0.00 N ATOM 1574 NH2 ARG A 107 25.699 42.528 40.858 1.00 0.00 N ATOM 0 H ARG A 107 25.070 40.819 34.771 1.00 0.00 H new ATOM 0 HA ARG A 107 26.226 42.651 34.835 1.00 0.00 H new ATOM 0 HB2 ARG A 107 28.559 40.697 34.869 1.00 0.00 H new ATOM 0 HB3 ARG A 107 28.714 42.397 35.262 1.00 0.00 H new ATOM 0 HG2 ARG A 107 27.272 40.236 36.821 1.00 0.00 H new ATOM 0 HG3 ARG A 107 28.600 41.253 37.344 1.00 0.00 H new ATOM 0 HD2 ARG A 107 26.990 43.252 37.098 1.00 0.00 H new ATOM 0 HD3 ARG A 107 25.705 42.075 36.909 1.00 0.00 H new ATOM 0 HE ARG A 107 27.289 41.563 39.291 1.00 0.00 H new ATOM 0 HH11 ARG A 107 24.570 43.500 38.085 1.00 0.00 H new ATOM 0 HH12 ARG A 107 23.962 43.762 39.723 1.00 0.00 H new ATOM 0 HH21 ARG A 107 26.458 41.995 41.282 1.00 0.00 H new ATOM 0 HH22 ARG A 107 24.981 42.950 41.447 1.00 0.00 H new ATOM 1588 N ASN A 108 27.787 43.763 33.124 1.00 0.00 N ATOM 1589 CA ASN A 108 28.094 44.684 32.011 1.00 0.00 C ATOM 1590 C ASN A 108 26.964 44.817 30.955 1.00 0.00 C ATOM 1591 O ASN A 108 27.238 44.966 29.767 1.00 0.00 O ATOM 1592 CB ASN A 108 29.482 44.346 31.412 1.00 0.00 C ATOM 1593 CG ASN A 108 30.166 45.506 30.697 1.00 0.00 C ATOM 1594 OD1 ASN A 108 29.669 46.623 30.594 1.00 0.00 O ATOM 1595 ND2 ASN A 108 31.375 45.314 30.228 1.00 0.00 N ATOM 0 H ASN A 108 28.036 44.162 34.029 1.00 0.00 H new ATOM 0 HA ASN A 108 28.147 45.690 32.428 1.00 0.00 H new ATOM 0 HB2 ASN A 108 30.133 43.996 32.213 1.00 0.00 H new ATOM 0 HB3 ASN A 108 29.368 43.520 30.710 1.00 0.00 H new ATOM 0 HD21 ASN A 108 31.880 46.084 29.790 1.00 0.00 H new ATOM 0 HD22 ASN A 108 31.810 44.395 30.301 1.00 0.00 H new ATOM 1602 N VAL A 109 25.694 44.718 31.367 1.00 0.00 N ATOM 1603 CA VAL A 109 24.568 44.400 30.466 1.00 0.00 C ATOM 1604 C VAL A 109 24.212 45.543 29.505 1.00 0.00 C ATOM 1605 O VAL A 109 24.052 45.306 28.306 1.00 0.00 O ATOM 1606 CB VAL A 109 23.331 43.954 31.277 1.00 0.00 C ATOM 1607 CG1 VAL A 109 22.176 43.542 30.359 1.00 0.00 C ATOM 1608 CG2 VAL A 109 23.643 42.754 32.185 1.00 0.00 C ATOM 0 H VAL A 109 25.413 44.856 32.338 1.00 0.00 H new ATOM 0 HA VAL A 109 24.901 43.573 29.839 1.00 0.00 H new ATOM 0 HB VAL A 109 23.048 44.816 31.881 1.00 0.00 H new ATOM 0 HG11 VAL A 109 21.323 43.234 30.963 1.00 0.00 H new ATOM 0 HG12 VAL A 109 21.891 44.387 29.732 1.00 0.00 H new ATOM 0 HG13 VAL A 109 22.492 42.712 29.727 1.00 0.00 H new ATOM 0 HG21 VAL A 109 22.746 42.473 32.737 1.00 0.00 H new ATOM 0 HG22 VAL A 109 23.973 41.913 31.576 1.00 0.00 H new ATOM 0 HG23 VAL A 109 24.432 43.024 32.887 1.00 0.00 H new ATOM 1618 N ASN A 110 24.089 46.775 30.005 1.00 0.00 N ATOM 1619 CA ASN A 110 23.787 47.959 29.195 1.00 0.00 C ATOM 1620 C ASN A 110 25.071 48.526 28.572 1.00 0.00 C ATOM 1621 O ASN A 110 26.077 48.679 29.268 1.00 0.00 O ATOM 1622 CB ASN A 110 23.054 48.992 30.065 1.00 0.00 C ATOM 1623 CG ASN A 110 22.718 50.269 29.315 1.00 0.00 C ATOM 1624 OD1 ASN A 110 21.811 50.326 28.495 1.00 0.00 O ATOM 1625 ND2 ASN A 110 23.427 51.342 29.573 1.00 0.00 N ATOM 0 H ASN A 110 24.198 46.982 30.998 1.00 0.00 H new ATOM 0 HA ASN A 110 23.131 47.688 28.368 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.134 48.549 30.448 1.00 0.00 H new ATOM 0 HB3 ASN A 110 23.673 49.236 30.928 1.00 0.00 H new ATOM 0 HD21 ASN A 110 23.221 52.217 29.091 1.00 0.00 H new ATOM 0 HD22 ASN A 110 24.184 51.301 30.255 1.00 0.00 H new ATOM 1632 N ASN A 111 25.025 48.868 27.277 1.00 0.00 N ATOM 1633 CA ASN A 111 26.180 49.349 26.499 1.00 0.00 C ATOM 1634 C ASN A 111 27.421 48.449 26.679 1.00 0.00 C ATOM 1635 O ASN A 111 28.518 48.908 27.023 1.00 0.00 O ATOM 1636 CB ASN A 111 26.438 50.831 26.806 1.00 0.00 C ATOM 1637 CG ASN A 111 25.285 51.742 26.438 1.00 0.00 C ATOM 1638 OD1 ASN A 111 24.508 51.488 25.524 1.00 0.00 O ATOM 1639 ND2 ASN A 111 25.173 52.852 27.119 1.00 0.00 N ATOM 0 H ASN A 111 24.167 48.818 26.728 1.00 0.00 H new ATOM 0 HA ASN A 111 25.944 49.279 25.437 1.00 0.00 H new ATOM 0 HB2 ASN A 111 26.650 50.940 27.870 1.00 0.00 H new ATOM 0 HB3 ASN A 111 27.330 51.154 26.268 1.00 0.00 H new ATOM 0 HD21 ASN A 111 24.434 53.517 26.892 1.00 0.00 H new ATOM 0 HD22 ASN A 111 25.825 53.053 27.877 1.00 0.00 H new ATOM 1646 N ASN A 112 27.204 47.145 26.516 1.00 0.00 N ATOM 1647 CA ASN A 112 28.129 46.069 26.855 1.00 0.00 C ATOM 1648 C ASN A 112 29.488 46.237 26.147 1.00 0.00 C ATOM 1649 O ASN A 112 29.547 46.385 24.926 1.00 0.00 O ATOM 1650 CB ASN A 112 27.396 44.760 26.500 1.00 0.00 C ATOM 1651 CG ASN A 112 28.109 43.478 26.880 1.00 0.00 C ATOM 1652 OD1 ASN A 112 29.247 43.450 27.330 1.00 0.00 O ATOM 1653 ND2 ASN A 112 27.465 42.359 26.656 1.00 0.00 N ATOM 0 H ASN A 112 26.331 46.794 26.123 1.00 0.00 H new ATOM 0 HA ASN A 112 28.391 46.072 27.913 1.00 0.00 H new ATOM 0 HB2 ASN A 112 26.421 44.769 26.987 1.00 0.00 H new ATOM 0 HB3 ASN A 112 27.215 44.748 25.425 1.00 0.00 H new ATOM 0 HD21 ASN A 112 27.912 41.464 26.857 1.00 0.00 H new ATOM 0 HD22 ASN A 112 26.517 42.383 26.281 1.00 0.00 H new ATOM 1660 N ASP A 113 30.593 46.225 26.901 1.00 0.00 N ATOM 1661 CA ASP A 113 31.952 46.354 26.340 1.00 0.00 C ATOM 1662 C ASP A 113 32.545 45.003 25.883 1.00 0.00 C ATOM 1663 O ASP A 113 33.650 44.950 25.335 1.00 0.00 O ATOM 1664 CB ASP A 113 32.861 47.110 27.323 1.00 0.00 C ATOM 1665 CG ASP A 113 34.035 47.805 26.622 1.00 0.00 C ATOM 1666 OD1 ASP A 113 33.781 48.562 25.653 1.00 0.00 O ATOM 1667 OD2 ASP A 113 35.200 47.643 27.057 1.00 0.00 O ATOM 0 H ASP A 113 30.576 46.126 27.916 1.00 0.00 H new ATOM 0 HA ASP A 113 31.884 46.947 25.428 1.00 0.00 H new ATOM 0 HB2 ASP A 113 32.271 47.853 27.860 1.00 0.00 H new ATOM 0 HB3 ASP A 113 33.247 46.412 28.066 1.00 0.00 H new ATOM 1672 N PHE A 114 31.780 43.922 26.055 1.00 0.00 N ATOM 1673 CA PHE A 114 32.084 42.549 25.651 1.00 0.00 C ATOM 1674 C PHE A 114 33.395 41.988 26.232 1.00 0.00 C ATOM 1675 O PHE A 114 33.985 42.558 27.153 1.00 0.00 O ATOM 1676 CB PHE A 114 31.916 42.411 24.118 1.00 0.00 C ATOM 1677 CG PHE A 114 30.730 41.540 23.750 1.00 0.00 C ATOM 1678 CD1 PHE A 114 30.867 40.139 23.688 1.00 0.00 C ATOM 1679 CD2 PHE A 114 29.469 42.129 23.538 1.00 0.00 C ATOM 1680 CE1 PHE A 114 29.744 39.332 23.435 1.00 0.00 C ATOM 1681 CE2 PHE A 114 28.349 41.321 23.277 1.00 0.00 C ATOM 1682 CZ PHE A 114 28.484 39.923 23.237 1.00 0.00 C ATOM 0 H PHE A 114 30.870 43.989 26.511 1.00 0.00 H new ATOM 0 HA PHE A 114 31.352 41.886 26.112 1.00 0.00 H new ATOM 0 HB2 PHE A 114 31.790 43.400 23.677 1.00 0.00 H new ATOM 0 HB3 PHE A 114 32.824 41.985 23.691 1.00 0.00 H new ATOM 0 HD1 PHE A 114 31.836 39.685 23.835 1.00 0.00 H new ATOM 0 HD2 PHE A 114 29.362 43.203 23.576 1.00 0.00 H new ATOM 0 HE1 PHE A 114 29.849 38.258 23.393 1.00 0.00 H new ATOM 0 HE2 PHE A 114 27.384 41.775 23.107 1.00 0.00 H new ATOM 0 HZ PHE A 114 27.619 39.302 23.054 1.00 0.00 H new ATOM 1692 N SER A 115 33.807 40.827 25.713 1.00 0.00 N ATOM 1693 CA SER A 115 35.004 40.041 26.038 1.00 0.00 C ATOM 1694 C SER A 115 36.214 40.874 26.433 1.00 0.00 C ATOM 1695 O SER A 115 36.757 41.610 25.577 1.00 0.00 O ATOM 1696 CB SER A 115 35.338 39.156 24.837 1.00 0.00 C ATOM 1697 OG SER A 115 34.169 38.476 24.420 1.00 0.00 O ATOM 1698 OXT SER A 115 36.631 40.759 27.606 1.00 0.00 O ATOM 0 H SER A 115 33.259 40.369 24.985 1.00 0.00 H new ATOM 0 HA SER A 115 34.769 39.446 26.920 1.00 0.00 H new ATOM 0 HB2 SER A 115 35.731 39.763 24.021 1.00 0.00 H new ATOM 0 HB3 SER A 115 36.115 38.439 25.103 1.00 0.00 H new ATOM 0 HG SER A 115 34.176 38.382 23.445 1.00 0.00 H new TER 1704 SER A 115 HETATM 1705 FE1 FES A 201 32.286 33.067 36.735 1.00 0.00 FE HETATM 1706 FE2 FES A 201 30.709 31.768 35.220 1.00 0.00 FE HETATM 1707 S1 FES A 201 30.266 32.430 37.263 1.00 0.00 S HETATM 1708 S2 FES A 201 32.803 32.282 34.762 1.00 0.00 S