USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 65 THR OG1 : rot 137:sc= 0.112 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0.105 USER MOD Set 2.1: A 41 CYS SG : rot -60:sc= -1.88! USER MOD Set 2.2: A 51 THR OG1 : rot 90:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 38 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 146:sc= 0.397 USER MOD Single : A 54 THR OG1 : rot 28:sc= 0.907 USER MOD Single : A 55 TYR OH : rot -21:sc= -0.447 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.0304 (180deg=-0.247) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 1.951 0.175 -0.302 1.00 61.33 N ATOM 2 CA MET A 9 1.802 0.337 -1.744 1.00 22.21 C ATOM 3 C MET A 9 1.620 -1.015 -2.427 1.00 50.21 C ATOM 4 O MET A 9 2.466 -1.901 -2.308 1.00 61.33 O ATOM 5 CB MET A 9 3.021 1.056 -2.326 1.00 74.33 C ATOM 6 CG MET A 9 3.079 2.534 -1.976 1.00 24.44 C ATOM 7 SD MET A 9 4.185 2.876 -0.593 1.00 63.03 S ATOM 8 CE MET A 9 5.184 4.196 -1.278 1.00 24.42 C ATOM 0 HA MET A 9 0.912 0.939 -1.927 1.00 22.21 H new ATOM 0 HB2 MET A 9 3.927 0.569 -1.964 1.00 74.33 H new ATOM 0 HB3 MET A 9 3.013 0.948 -3.411 1.00 74.33 H new ATOM 0 HG2 MET A 9 3.409 3.098 -2.849 1.00 24.44 H new ATOM 0 HG3 MET A 9 2.077 2.885 -1.730 1.00 24.44 H new ATOM 0 HE1 MET A 9 5.919 4.517 -0.539 1.00 24.42 H new ATOM 0 HE2 MET A 9 5.699 3.838 -2.170 1.00 24.42 H new ATOM 0 HE3 MET A 9 4.543 5.037 -1.542 1.00 24.42 H new ATOM 18 N LYS A 10 0.511 -1.166 -3.142 1.00 74.34 N ATOM 19 CA LYS A 10 0.217 -2.409 -3.846 1.00 20.32 C ATOM 20 C LYS A 10 -0.157 -2.137 -5.299 1.00 50.33 C ATOM 21 O LYS A 10 -0.832 -1.152 -5.602 1.00 31.32 O ATOM 22 CB LYS A 10 -0.920 -3.158 -3.147 1.00 71.34 C ATOM 23 CG LYS A 10 -0.517 -3.775 -1.819 1.00 42.30 C ATOM 24 CD LYS A 10 -1.244 -5.085 -1.569 1.00 21.22 C ATOM 25 CE LYS A 10 -0.272 -6.208 -1.242 1.00 23.34 C ATOM 26 NZ LYS A 10 -0.975 -7.499 -1.003 1.00 12.10 N ATOM 0 H LYS A 10 -0.200 -0.443 -3.250 1.00 74.34 H new ATOM 0 HA LYS A 10 1.115 -3.027 -3.831 1.00 20.32 H new ATOM 0 HB2 LYS A 10 -1.749 -2.470 -2.981 1.00 71.34 H new ATOM 0 HB3 LYS A 10 -1.285 -3.944 -3.807 1.00 71.34 H new ATOM 0 HG2 LYS A 10 0.559 -3.947 -1.809 1.00 42.30 H new ATOM 0 HG3 LYS A 10 -0.736 -3.077 -1.011 1.00 42.30 H new ATOM 0 HD2 LYS A 10 -1.948 -4.960 -0.746 1.00 21.22 H new ATOM 0 HD3 LYS A 10 -1.828 -5.352 -2.450 1.00 21.22 H new ATOM 0 HE2 LYS A 10 0.435 -6.326 -2.063 1.00 23.34 H new ATOM 0 HE3 LYS A 10 0.307 -5.941 -0.358 1.00 23.34 H new ATOM 0 HZ1 LYS A 10 -0.278 -8.239 -0.783 1.00 12.10 H new ATOM 0 HZ2 LYS A 10 -1.632 -7.394 -0.203 1.00 12.10 H new ATOM 0 HZ3 LYS A 10 -1.507 -7.767 -1.855 1.00 12.10 H new ATOM 40 N ILE A 11 0.284 -3.015 -6.194 1.00 4.43 N ATOM 41 CA ILE A 11 -0.007 -2.869 -7.614 1.00 42.04 C ATOM 42 C ILE A 11 -0.653 -4.131 -8.175 1.00 74.02 C ATOM 43 O ILE A 11 -0.319 -5.245 -7.772 1.00 60.33 O ATOM 44 CB ILE A 11 1.267 -2.557 -8.421 1.00 44.41 C ATOM 45 CG1 ILE A 11 0.916 -2.283 -9.885 1.00 1.41 C ATOM 46 CG2 ILE A 11 2.257 -3.707 -8.315 1.00 20.24 C ATOM 47 CD1 ILE A 11 1.698 -1.137 -10.490 1.00 34.33 C ATOM 0 H ILE A 11 0.844 -3.835 -5.960 1.00 4.43 H new ATOM 0 HA ILE A 11 -0.701 -2.034 -7.709 1.00 42.04 H new ATOM 0 HB ILE A 11 1.732 -1.663 -8.005 1.00 44.41 H new ATOM 0 HG12 ILE A 11 1.099 -3.185 -10.469 1.00 1.41 H new ATOM 0 HG13 ILE A 11 -0.149 -2.065 -9.960 1.00 1.41 H new ATOM 0 HG21 ILE A 11 3.152 -3.471 -8.891 1.00 20.24 H new ATOM 0 HG22 ILE A 11 2.527 -3.859 -7.270 1.00 20.24 H new ATOM 0 HG23 ILE A 11 1.802 -4.616 -8.708 1.00 20.24 H new ATOM 0 HD11 ILE A 11 1.398 -1.000 -11.529 1.00 34.33 H new ATOM 0 HD12 ILE A 11 1.497 -0.224 -9.930 1.00 34.33 H new ATOM 0 HD13 ILE A 11 2.764 -1.361 -10.447 1.00 34.33 H new ATOM 59 N LYS A 12 -1.581 -3.949 -9.109 1.00 62.02 N ATOM 60 CA LYS A 12 -2.273 -5.072 -9.729 1.00 75.25 C ATOM 61 C LYS A 12 -2.015 -5.108 -11.232 1.00 62.23 C ATOM 62 O LYS A 12 -2.266 -4.131 -11.938 1.00 74.12 O ATOM 63 CB LYS A 12 -3.778 -4.981 -9.462 1.00 45.11 C ATOM 64 CG LYS A 12 -4.414 -6.313 -9.105 1.00 62.13 C ATOM 65 CD LYS A 12 -5.913 -6.300 -9.355 1.00 65.04 C ATOM 66 CE LYS A 12 -6.609 -5.243 -8.512 1.00 50.13 C ATOM 67 NZ LYS A 12 -8.084 -5.443 -8.479 1.00 73.04 N ATOM 0 H LYS A 12 -1.871 -3.034 -9.453 1.00 62.02 H new ATOM 0 HA LYS A 12 -1.886 -5.991 -9.289 1.00 75.25 H new ATOM 0 HB2 LYS A 12 -3.952 -4.275 -8.650 1.00 45.11 H new ATOM 0 HB3 LYS A 12 -4.272 -4.578 -10.346 1.00 45.11 H new ATOM 0 HG2 LYS A 12 -3.953 -7.107 -9.693 1.00 62.13 H new ATOM 0 HG3 LYS A 12 -4.221 -6.540 -8.057 1.00 62.13 H new ATOM 0 HD2 LYS A 12 -6.105 -6.110 -10.411 1.00 65.04 H new ATOM 0 HD3 LYS A 12 -6.330 -7.281 -9.127 1.00 65.04 H new ATOM 0 HE2 LYS A 12 -6.216 -5.272 -7.496 1.00 50.13 H new ATOM 0 HE3 LYS A 12 -6.385 -4.254 -8.912 1.00 50.13 H new ATOM 0 HZ1 LYS A 12 -8.522 -4.703 -7.894 1.00 73.04 H new ATOM 0 HZ2 LYS A 12 -8.463 -5.390 -9.446 1.00 73.04 H new ATOM 0 HZ3 LYS A 12 -8.299 -6.376 -8.074 1.00 73.04 H new ATOM 81 N ILE A 13 -1.513 -6.240 -11.715 1.00 1.13 N ATOM 82 CA ILE A 13 -1.223 -6.403 -13.134 1.00 13.21 C ATOM 83 C ILE A 13 -2.142 -7.443 -13.766 1.00 65.05 C ATOM 84 O ILE A 13 -2.057 -8.632 -13.457 1.00 15.53 O ATOM 85 CB ILE A 13 0.241 -6.819 -13.366 1.00 4.35 C ATOM 86 CG1 ILE A 13 0.484 -7.106 -14.849 1.00 23.34 C ATOM 87 CG2 ILE A 13 0.586 -8.036 -12.521 1.00 21.11 C ATOM 88 CD1 ILE A 13 1.923 -7.447 -15.170 1.00 54.23 C ATOM 0 H ILE A 13 -1.299 -7.058 -11.144 1.00 1.13 H new ATOM 0 HA ILE A 13 -1.395 -5.435 -13.605 1.00 13.21 H new ATOM 0 HB ILE A 13 0.889 -5.996 -13.064 1.00 4.35 H new ATOM 0 HG12 ILE A 13 -0.155 -7.932 -15.160 1.00 23.34 H new ATOM 0 HG13 ILE A 13 0.186 -6.235 -15.433 1.00 23.34 H new ATOM 0 HG21 ILE A 13 1.624 -8.318 -12.696 1.00 21.11 H new ATOM 0 HG22 ILE A 13 0.448 -7.798 -11.466 1.00 21.11 H new ATOM 0 HG23 ILE A 13 -0.066 -8.865 -12.794 1.00 21.11 H new ATOM 0 HD11 ILE A 13 2.022 -7.638 -16.238 1.00 54.23 H new ATOM 0 HD12 ILE A 13 2.566 -6.613 -14.890 1.00 54.23 H new ATOM 0 HD13 ILE A 13 2.219 -8.336 -14.613 1.00 54.23 H new ATOM 100 N VAL A 14 -3.018 -6.988 -14.657 1.00 3.14 N ATOM 101 CA VAL A 14 -3.950 -7.879 -15.336 1.00 33.31 C ATOM 102 C VAL A 14 -3.476 -8.197 -16.750 1.00 31.05 C ATOM 103 O VAL A 14 -3.483 -7.346 -17.639 1.00 71.24 O ATOM 104 CB VAL A 14 -5.362 -7.267 -15.405 1.00 71.33 C ATOM 105 CG1 VAL A 14 -5.308 -5.864 -15.990 1.00 61.35 C ATOM 106 CG2 VAL A 14 -6.289 -8.158 -16.219 1.00 0.21 C ATOM 0 H VAL A 14 -3.101 -6.007 -14.925 1.00 3.14 H new ATOM 0 HA VAL A 14 -3.989 -8.800 -14.754 1.00 33.31 H new ATOM 0 HB VAL A 14 -5.759 -7.197 -14.392 1.00 71.33 H new ATOM 0 HG11 VAL A 14 -6.315 -5.448 -16.031 1.00 61.35 H new ATOM 0 HG12 VAL A 14 -4.679 -5.232 -15.363 1.00 61.35 H new ATOM 0 HG13 VAL A 14 -4.891 -5.905 -16.996 1.00 61.35 H new ATOM 0 HG21 VAL A 14 -7.282 -7.711 -16.258 1.00 0.21 H new ATOM 0 HG22 VAL A 14 -5.898 -8.261 -17.231 1.00 0.21 H new ATOM 0 HG23 VAL A 14 -6.352 -9.141 -15.752 1.00 0.21 H new ATOM 116 N PRO A 15 -3.054 -9.452 -16.964 1.00 3.12 N ATOM 117 CA PRO A 15 -2.569 -9.912 -18.268 1.00 62.14 C ATOM 118 C PRO A 15 -3.686 -10.007 -19.302 1.00 32.44 C ATOM 119 O PRO A 15 -4.783 -10.479 -19.002 1.00 3.00 O ATOM 120 CB PRO A 15 -2.000 -11.301 -17.966 1.00 13.31 C ATOM 121 CG PRO A 15 -2.739 -11.757 -16.755 1.00 41.12 C ATOM 122 CD PRO A 15 -3.018 -10.518 -15.949 1.00 63.51 C ATOM 0 HA PRO A 15 -1.842 -9.223 -18.698 1.00 62.14 H new ATOM 0 HB2 PRO A 15 -2.153 -11.982 -18.803 1.00 13.31 H new ATOM 0 HB3 PRO A 15 -0.927 -11.258 -17.782 1.00 13.31 H new ATOM 0 HG2 PRO A 15 -3.666 -12.261 -17.030 1.00 41.12 H new ATOM 0 HG3 PRO A 15 -2.147 -12.470 -16.182 1.00 41.12 H new ATOM 0 HD2 PRO A 15 -3.963 -10.593 -15.411 1.00 63.51 H new ATOM 0 HD3 PRO A 15 -2.241 -10.339 -15.205 1.00 63.51 H new ATOM 130 N ALA A 16 -3.400 -9.557 -20.519 1.00 34.02 N ATOM 131 CA ALA A 16 -4.381 -9.594 -21.597 1.00 22.22 C ATOM 132 C ALA A 16 -4.332 -10.926 -22.338 1.00 4.01 C ATOM 133 O ALA A 16 -4.251 -10.962 -23.566 1.00 24.02 O ATOM 134 CB ALA A 16 -4.147 -8.442 -22.562 1.00 55.34 C ATOM 0 H ALA A 16 -2.497 -9.163 -20.783 1.00 34.02 H new ATOM 0 HA ALA A 16 -5.373 -9.489 -21.157 1.00 22.22 H new ATOM 0 HB1 ALA A 16 -4.886 -8.482 -23.362 1.00 55.34 H new ATOM 0 HB2 ALA A 16 -4.240 -7.496 -22.029 1.00 55.34 H new ATOM 0 HB3 ALA A 16 -3.147 -8.522 -22.988 1.00 55.34 H new ATOM 140 N VAL A 17 -4.380 -12.020 -21.584 1.00 53.30 N ATOM 141 CA VAL A 17 -4.342 -13.354 -22.170 1.00 23.32 C ATOM 142 C VAL A 17 -5.690 -14.053 -22.035 1.00 52.34 C ATOM 143 O VAL A 17 -6.678 -13.445 -21.624 1.00 43.14 O ATOM 144 CB VAL A 17 -3.257 -14.226 -21.510 1.00 4.32 C ATOM 145 CG1 VAL A 17 -1.904 -13.533 -21.573 1.00 22.21 C ATOM 146 CG2 VAL A 17 -3.634 -14.547 -20.071 1.00 43.15 C ATOM 0 H VAL A 17 -4.445 -12.008 -20.566 1.00 53.30 H new ATOM 0 HA VAL A 17 -4.105 -13.228 -23.227 1.00 23.32 H new ATOM 0 HB VAL A 17 -3.184 -15.164 -22.061 1.00 4.32 H new ATOM 0 HG11 VAL A 17 -1.150 -14.164 -21.102 1.00 22.21 H new ATOM 0 HG12 VAL A 17 -1.633 -13.359 -22.614 1.00 22.21 H new ATOM 0 HG13 VAL A 17 -1.959 -12.579 -21.048 1.00 22.21 H new ATOM 0 HG21 VAL A 17 -2.856 -15.164 -19.620 1.00 43.15 H new ATOM 0 HG22 VAL A 17 -3.735 -13.620 -19.506 1.00 43.15 H new ATOM 0 HG23 VAL A 17 -4.581 -15.087 -20.055 1.00 43.15 H new ATOM 156 N GLY A 18 -5.724 -15.335 -22.385 1.00 21.21 N ATOM 157 CA GLY A 18 -6.956 -16.096 -22.296 1.00 34.11 C ATOM 158 C GLY A 18 -7.621 -15.966 -20.940 1.00 34.10 C ATOM 159 O GLY A 18 -8.647 -15.301 -20.805 1.00 54.22 O ATOM 0 H GLY A 18 -4.920 -15.860 -22.729 1.00 21.21 H new ATOM 0 HA2 GLY A 18 -7.645 -15.757 -23.069 1.00 34.11 H new ATOM 0 HA3 GLY A 18 -6.746 -17.147 -22.495 1.00 34.11 H new ATOM 163 N GLY A 19 -7.036 -16.605 -19.932 1.00 32.35 N ATOM 164 CA GLY A 19 -7.594 -16.547 -18.593 1.00 4.21 C ATOM 165 C GLY A 19 -7.628 -15.136 -18.040 1.00 51.34 C ATOM 166 O GLY A 19 -8.620 -14.719 -17.444 1.00 31.33 O ATOM 0 H GLY A 19 -6.186 -17.162 -20.018 1.00 32.35 H new ATOM 0 HA2 GLY A 19 -8.605 -16.953 -18.606 1.00 4.21 H new ATOM 0 HA3 GLY A 19 -7.005 -17.180 -17.929 1.00 4.21 H new ATOM 170 N GLY A 20 -6.540 -14.397 -18.238 1.00 20.52 N ATOM 171 CA GLY A 20 -6.470 -13.034 -17.747 1.00 42.41 C ATOM 172 C GLY A 20 -6.815 -12.929 -16.275 1.00 12.41 C ATOM 173 O GLY A 20 -7.975 -12.726 -15.915 1.00 42.43 O ATOM 0 H GLY A 20 -5.706 -14.719 -18.730 1.00 20.52 H new ATOM 0 HA2 GLY A 20 -5.465 -12.644 -17.910 1.00 42.41 H new ATOM 0 HA3 GLY A 20 -7.152 -12.408 -18.322 1.00 42.41 H new ATOM 177 N SER A 21 -5.807 -13.069 -15.421 1.00 4.24 N ATOM 178 CA SER A 21 -6.010 -12.994 -13.979 1.00 33.04 C ATOM 179 C SER A 21 -5.083 -11.958 -13.352 1.00 5.41 C ATOM 180 O SER A 21 -3.874 -11.945 -13.588 1.00 32.34 O ATOM 181 CB SER A 21 -5.772 -14.362 -13.337 1.00 73.40 C ATOM 182 OG SER A 21 -6.710 -14.611 -12.304 1.00 24.13 O ATOM 0 H SER A 21 -4.841 -13.235 -15.703 1.00 4.24 H new ATOM 0 HA SER A 21 -7.041 -12.690 -13.798 1.00 33.04 H new ATOM 0 HB2 SER A 21 -5.847 -15.141 -14.096 1.00 73.40 H new ATOM 0 HB3 SER A 21 -4.761 -14.406 -12.933 1.00 73.40 H new ATOM 0 HG SER A 21 -6.538 -15.492 -11.911 1.00 24.13 H new ATOM 188 N PRO A 22 -5.660 -11.066 -12.533 1.00 52.24 N ATOM 189 CA PRO A 22 -4.905 -10.009 -11.855 1.00 3.42 C ATOM 190 C PRO A 22 -3.987 -10.558 -10.768 1.00 62.22 C ATOM 191 O PRO A 22 -4.404 -11.369 -9.940 1.00 72.12 O ATOM 192 CB PRO A 22 -5.997 -9.131 -11.239 1.00 33.44 C ATOM 193 CG PRO A 22 -7.163 -10.043 -11.067 1.00 1.03 C ATOM 194 CD PRO A 22 -7.095 -11.021 -12.207 1.00 34.12 C ATOM 0 HA PRO A 22 -4.247 -9.476 -12.541 1.00 3.42 H new ATOM 0 HB2 PRO A 22 -5.677 -8.713 -10.285 1.00 33.44 H new ATOM 0 HB3 PRO A 22 -6.243 -8.291 -11.889 1.00 33.44 H new ATOM 0 HG2 PRO A 22 -7.117 -10.558 -10.108 1.00 1.03 H new ATOM 0 HG3 PRO A 22 -8.100 -9.486 -11.086 1.00 1.03 H new ATOM 0 HD2 PRO A 22 -7.472 -12.002 -11.918 1.00 34.12 H new ATOM 0 HD3 PRO A 22 -7.690 -10.689 -13.058 1.00 34.12 H new ATOM 202 N LEU A 23 -2.736 -10.112 -10.776 1.00 24.12 N ATOM 203 CA LEU A 23 -1.758 -10.559 -9.790 1.00 21.13 C ATOM 204 C LEU A 23 -1.304 -9.400 -8.908 1.00 54.22 C ATOM 205 O LEU A 23 -0.892 -8.353 -9.407 1.00 75.21 O ATOM 206 CB LEU A 23 -0.550 -11.187 -10.488 1.00 12.40 C ATOM 207 CG LEU A 23 0.598 -11.626 -9.578 1.00 52.54 C ATOM 208 CD1 LEU A 23 0.468 -13.100 -9.229 1.00 11.24 C ATOM 209 CD2 LEU A 23 1.939 -11.349 -10.241 1.00 43.05 C ATOM 0 H LEU A 23 -2.375 -9.441 -11.454 1.00 24.12 H new ATOM 0 HA LEU A 23 -2.234 -11.308 -9.157 1.00 21.13 H new ATOM 0 HB2 LEU A 23 -0.892 -12.055 -11.052 1.00 12.40 H new ATOM 0 HB3 LEU A 23 -0.160 -10.470 -11.211 1.00 12.40 H new ATOM 0 HG LEU A 23 0.546 -11.049 -8.655 1.00 52.54 H new ATOM 0 HD11 LEU A 23 1.293 -13.395 -8.581 1.00 11.24 H new ATOM 0 HD12 LEU A 23 -0.477 -13.270 -8.713 1.00 11.24 H new ATOM 0 HD13 LEU A 23 0.494 -13.694 -10.143 1.00 11.24 H new ATOM 0 HD21 LEU A 23 2.745 -11.668 -9.579 1.00 43.05 H new ATOM 0 HD22 LEU A 23 2.001 -11.899 -11.180 1.00 43.05 H new ATOM 0 HD23 LEU A 23 2.033 -10.281 -10.439 1.00 43.05 H new ATOM 221 N GLU A 24 -1.382 -9.596 -7.596 1.00 4.44 N ATOM 222 CA GLU A 24 -0.977 -8.566 -6.645 1.00 74.13 C ATOM 223 C GLU A 24 0.498 -8.710 -6.282 1.00 52.33 C ATOM 224 O GLU A 24 0.968 -9.804 -5.968 1.00 11.15 O ATOM 225 CB GLU A 24 -1.835 -8.643 -5.380 1.00 60.34 C ATOM 226 CG GLU A 24 -3.124 -7.845 -5.470 1.00 14.44 C ATOM 227 CD GLU A 24 -4.169 -8.310 -4.474 1.00 72.31 C ATOM 228 OE1 GLU A 24 -4.960 -9.212 -4.823 1.00 63.10 O ATOM 229 OE2 GLU A 24 -4.197 -7.773 -3.347 1.00 63.32 O ATOM 0 H GLU A 24 -1.721 -10.457 -7.167 1.00 4.44 H new ATOM 0 HA GLU A 24 -1.124 -7.594 -7.117 1.00 74.13 H new ATOM 0 HB2 GLU A 24 -2.077 -9.686 -5.178 1.00 60.34 H new ATOM 0 HB3 GLU A 24 -1.252 -8.281 -4.533 1.00 60.34 H new ATOM 0 HG2 GLU A 24 -2.907 -6.791 -5.298 1.00 14.44 H new ATOM 0 HG3 GLU A 24 -3.528 -7.927 -6.479 1.00 14.44 H new ATOM 236 N LEU A 25 1.223 -7.598 -6.329 1.00 43.11 N ATOM 237 CA LEU A 25 2.646 -7.598 -6.006 1.00 32.30 C ATOM 238 C LEU A 25 3.035 -6.326 -5.260 1.00 21.34 C ATOM 239 O LEU A 25 2.371 -5.297 -5.380 1.00 64.34 O ATOM 240 CB LEU A 25 3.479 -7.730 -7.282 1.00 52.42 C ATOM 241 CG LEU A 25 4.928 -8.178 -7.094 1.00 65.43 C ATOM 242 CD1 LEU A 25 4.990 -9.663 -6.771 1.00 60.25 C ATOM 243 CD2 LEU A 25 5.749 -7.867 -8.338 1.00 13.43 C ATOM 0 H LEU A 25 0.849 -6.685 -6.588 1.00 43.11 H new ATOM 0 HA LEU A 25 2.846 -8.452 -5.359 1.00 32.30 H new ATOM 0 HB2 LEU A 25 2.983 -8.440 -7.944 1.00 52.42 H new ATOM 0 HB3 LEU A 25 3.481 -6.767 -7.792 1.00 52.42 H new ATOM 0 HG LEU A 25 5.352 -7.626 -6.255 1.00 65.43 H new ATOM 0 HD11 LEU A 25 6.029 -9.964 -6.641 1.00 60.25 H new ATOM 0 HD12 LEU A 25 4.437 -9.859 -5.852 1.00 60.25 H new ATOM 0 HD13 LEU A 25 4.547 -10.232 -7.589 1.00 60.25 H new ATOM 0 HD21 LEU A 25 6.778 -8.193 -8.186 1.00 13.43 H new ATOM 0 HD22 LEU A 25 5.325 -8.392 -9.194 1.00 13.43 H new ATOM 0 HD23 LEU A 25 5.733 -6.793 -8.526 1.00 13.43 H new ATOM 255 N GLU A 26 4.116 -6.405 -4.490 1.00 63.02 N ATOM 256 CA GLU A 26 4.594 -5.259 -3.726 1.00 2.13 C ATOM 257 C GLU A 26 5.763 -4.581 -4.435 1.00 24.44 C ATOM 258 O GLU A 26 6.870 -5.119 -4.483 1.00 41.42 O ATOM 259 CB GLU A 26 5.018 -5.695 -2.322 1.00 22.13 C ATOM 260 CG GLU A 26 5.986 -6.867 -2.315 1.00 11.54 C ATOM 261 CD GLU A 26 7.257 -6.569 -1.543 1.00 13.33 C ATOM 262 OE1 GLU A 26 8.143 -5.887 -2.098 1.00 61.24 O ATOM 263 OE2 GLU A 26 7.364 -7.018 -0.382 1.00 40.42 O ATOM 0 H GLU A 26 4.677 -7.250 -4.379 1.00 63.02 H new ATOM 0 HA GLU A 26 3.776 -4.543 -3.645 1.00 2.13 H new ATOM 0 HB2 GLU A 26 5.480 -4.850 -1.812 1.00 22.13 H new ATOM 0 HB3 GLU A 26 4.130 -5.965 -1.751 1.00 22.13 H new ATOM 0 HG2 GLU A 26 5.495 -7.736 -1.878 1.00 11.54 H new ATOM 0 HG3 GLU A 26 6.242 -7.128 -3.342 1.00 11.54 H new ATOM 270 N VAL A 27 5.509 -3.398 -4.984 1.00 3.10 N ATOM 271 CA VAL A 27 6.540 -2.646 -5.690 1.00 13.20 C ATOM 272 C VAL A 27 6.428 -1.154 -5.398 1.00 3.33 C ATOM 273 O VAL A 27 5.361 -0.660 -5.037 1.00 12.54 O ATOM 274 CB VAL A 27 6.453 -2.868 -7.212 1.00 0.53 C ATOM 275 CG1 VAL A 27 5.214 -2.193 -7.780 1.00 50.31 C ATOM 276 CG2 VAL A 27 7.711 -2.355 -7.897 1.00 31.22 C ATOM 0 H VAL A 27 4.598 -2.939 -4.954 1.00 3.10 H new ATOM 0 HA VAL A 27 7.502 -3.013 -5.331 1.00 13.20 H new ATOM 0 HB VAL A 27 6.374 -3.938 -7.402 1.00 0.53 H new ATOM 0 HG11 VAL A 27 5.169 -2.361 -8.856 1.00 50.31 H new ATOM 0 HG12 VAL A 27 4.324 -2.612 -7.310 1.00 50.31 H new ATOM 0 HG13 VAL A 27 5.260 -1.122 -7.581 1.00 50.31 H new ATOM 0 HG21 VAL A 27 7.633 -2.520 -8.972 1.00 31.22 H new ATOM 0 HG22 VAL A 27 7.823 -1.289 -7.700 1.00 31.22 H new ATOM 0 HG23 VAL A 27 8.579 -2.889 -7.510 1.00 31.22 H new ATOM 286 N ALA A 28 7.539 -0.441 -5.557 1.00 15.31 N ATOM 287 CA ALA A 28 7.565 0.996 -5.313 1.00 3.13 C ATOM 288 C ALA A 28 7.638 1.774 -6.622 1.00 55.31 C ATOM 289 O ALA A 28 8.626 1.715 -7.354 1.00 73.40 O ATOM 290 CB ALA A 28 8.741 1.357 -4.416 1.00 54.24 C ATOM 0 H ALA A 28 8.432 -0.835 -5.853 1.00 15.31 H new ATOM 0 HA ALA A 28 6.639 1.271 -4.809 1.00 3.13 H new ATOM 0 HB1 ALA A 28 8.749 2.433 -4.242 1.00 54.24 H new ATOM 0 HB2 ALA A 28 8.646 0.836 -3.463 1.00 54.24 H new ATOM 0 HB3 ALA A 28 9.672 1.061 -4.900 1.00 54.24 H new ATOM 296 N PRO A 29 6.566 2.522 -6.927 1.00 5.02 N ATOM 297 CA PRO A 29 6.485 3.326 -8.150 1.00 15.34 C ATOM 298 C PRO A 29 7.433 4.520 -8.123 1.00 13.22 C ATOM 299 O PRO A 29 7.660 5.167 -9.144 1.00 55.51 O ATOM 300 CB PRO A 29 5.029 3.800 -8.166 1.00 31.31 C ATOM 301 CG PRO A 29 4.609 3.781 -6.737 1.00 14.52 C ATOM 302 CD PRO A 29 5.353 2.640 -6.101 1.00 2.33 C ATOM 0 HA PRO A 29 6.772 2.755 -9.033 1.00 15.34 H new ATOM 0 HB2 PRO A 29 4.943 4.800 -8.591 1.00 31.31 H new ATOM 0 HB3 PRO A 29 4.405 3.142 -8.771 1.00 31.31 H new ATOM 0 HG2 PRO A 29 4.849 4.725 -6.247 1.00 14.52 H new ATOM 0 HG3 PRO A 29 3.532 3.641 -6.649 1.00 14.52 H new ATOM 0 HD2 PRO A 29 5.595 2.849 -5.059 1.00 2.33 H new ATOM 0 HD3 PRO A 29 4.767 1.721 -6.114 1.00 2.33 H new ATOM 310 N ASN A 30 7.984 4.806 -6.948 1.00 21.13 N ATOM 311 CA ASN A 30 8.908 5.923 -6.788 1.00 63.24 C ATOM 312 C ASN A 30 10.334 5.503 -7.134 1.00 73.02 C ATOM 313 O ASN A 30 11.284 6.250 -6.906 1.00 43.42 O ATOM 314 CB ASN A 30 8.855 6.455 -5.355 1.00 41.41 C ATOM 315 CG ASN A 30 7.461 6.385 -4.763 1.00 75.44 C ATOM 316 OD1 ASN A 30 6.960 5.303 -4.454 1.00 14.40 O ATOM 317 ND2 ASN A 30 6.826 7.540 -4.604 1.00 4.44 N ATOM 0 H ASN A 30 7.807 4.280 -6.092 1.00 21.13 H new ATOM 0 HA ASN A 30 8.604 6.714 -7.473 1.00 63.24 H new ATOM 0 HB2 ASN A 30 9.541 5.881 -4.732 1.00 41.41 H new ATOM 0 HB3 ASN A 30 9.201 7.489 -5.341 1.00 41.41 H new ATOM 0 HD21 ASN A 30 5.884 7.555 -4.212 1.00 4.44 H new ATOM 0 HD22 ASN A 30 7.280 8.413 -4.874 1.00 4.44 H new ATOM 324 N ALA A 31 10.474 4.302 -7.687 1.00 15.35 N ATOM 325 CA ALA A 31 11.782 3.784 -8.066 1.00 72.14 C ATOM 326 C ALA A 31 12.006 3.907 -9.570 1.00 35.32 C ATOM 327 O ALA A 31 12.690 4.819 -10.034 1.00 64.12 O ATOM 328 CB ALA A 31 11.923 2.334 -7.627 1.00 1.25 C ATOM 0 H ALA A 31 9.697 3.670 -7.882 1.00 15.35 H new ATOM 0 HA ALA A 31 12.542 4.381 -7.561 1.00 72.14 H new ATOM 0 HB1 ALA A 31 12.905 1.960 -7.917 1.00 1.25 H new ATOM 0 HB2 ALA A 31 11.815 2.270 -6.544 1.00 1.25 H new ATOM 0 HB3 ALA A 31 11.150 1.732 -8.105 1.00 1.25 H new ATOM 334 N THR A 32 11.424 2.982 -10.328 1.00 22.14 N ATOM 335 CA THR A 32 11.562 2.986 -11.779 1.00 33.55 C ATOM 336 C THR A 32 10.426 2.214 -12.440 1.00 55.45 C ATOM 337 O THR A 32 9.979 1.187 -11.930 1.00 14.34 O ATOM 338 CB THR A 32 12.906 2.374 -12.217 1.00 12.00 C ATOM 339 OG1 THR A 32 13.728 2.127 -11.071 1.00 65.23 O ATOM 340 CG2 THR A 32 13.633 3.300 -13.180 1.00 3.32 C ATOM 0 H THR A 32 10.853 2.221 -9.961 1.00 22.14 H new ATOM 0 HA THR A 32 11.525 4.028 -12.098 1.00 33.55 H new ATOM 0 HB THR A 32 12.703 1.432 -12.727 1.00 12.00 H new ATOM 0 HG1 THR A 32 14.580 1.737 -11.358 1.00 65.23 H new ATOM 0 HG21 THR A 32 14.579 2.847 -13.476 1.00 3.32 H new ATOM 0 HG22 THR A 32 13.016 3.462 -14.064 1.00 3.32 H new ATOM 0 HG23 THR A 32 13.825 4.255 -12.691 1.00 3.32 H new ATOM 348 N VAL A 33 9.962 2.716 -13.581 1.00 61.41 N ATOM 349 CA VAL A 33 8.878 2.072 -14.314 1.00 45.24 C ATOM 350 C VAL A 33 9.336 0.752 -14.925 1.00 11.31 C ATOM 351 O VAL A 33 8.622 -0.248 -14.874 1.00 34.02 O ATOM 352 CB VAL A 33 8.340 2.983 -15.433 1.00 55.33 C ATOM 353 CG1 VAL A 33 7.317 2.241 -16.280 1.00 52.31 C ATOM 354 CG2 VAL A 33 7.738 4.250 -14.845 1.00 0.45 C ATOM 0 H VAL A 33 10.320 3.566 -14.017 1.00 61.41 H new ATOM 0 HA VAL A 33 8.080 1.880 -13.596 1.00 45.24 H new ATOM 0 HB VAL A 33 9.172 3.268 -16.077 1.00 55.33 H new ATOM 0 HG11 VAL A 33 6.948 2.900 -17.065 1.00 52.31 H new ATOM 0 HG12 VAL A 33 7.784 1.366 -16.731 1.00 52.31 H new ATOM 0 HG13 VAL A 33 6.485 1.925 -15.651 1.00 52.31 H new ATOM 0 HG21 VAL A 33 7.363 4.882 -15.650 1.00 0.45 H new ATOM 0 HG22 VAL A 33 6.917 3.987 -14.178 1.00 0.45 H new ATOM 0 HG23 VAL A 33 8.502 4.790 -14.286 1.00 0.45 H new ATOM 364 N GLY A 34 10.533 0.757 -15.503 1.00 4.11 N ATOM 365 CA GLY A 34 11.066 -0.446 -16.115 1.00 45.21 C ATOM 366 C GLY A 34 11.407 -1.514 -15.095 1.00 1.43 C ATOM 367 O GLY A 34 11.288 -2.707 -15.371 1.00 52.35 O ATOM 0 H GLY A 34 11.143 1.573 -15.558 1.00 4.11 H new ATOM 0 HA2 GLY A 34 10.338 -0.843 -16.822 1.00 45.21 H new ATOM 0 HA3 GLY A 34 11.960 -0.194 -16.685 1.00 45.21 H new ATOM 371 N ALA A 35 11.834 -1.085 -13.912 1.00 10.55 N ATOM 372 CA ALA A 35 12.193 -2.013 -12.846 1.00 53.43 C ATOM 373 C ALA A 35 10.974 -2.793 -12.365 1.00 4.14 C ATOM 374 O ALA A 35 11.027 -4.013 -12.212 1.00 73.43 O ATOM 375 CB ALA A 35 12.834 -1.264 -11.688 1.00 1.44 C ATOM 0 H ALA A 35 11.940 -0.100 -13.667 1.00 10.55 H new ATOM 0 HA ALA A 35 12.914 -2.726 -13.246 1.00 53.43 H new ATOM 0 HB1 ALA A 35 13.097 -1.969 -10.900 1.00 1.44 H new ATOM 0 HB2 ALA A 35 13.734 -0.757 -12.036 1.00 1.44 H new ATOM 0 HB3 ALA A 35 12.131 -0.528 -11.297 1.00 1.44 H new ATOM 381 N VAL A 36 9.878 -2.081 -12.125 1.00 52.34 N ATOM 382 CA VAL A 36 8.646 -2.707 -11.661 1.00 53.11 C ATOM 383 C VAL A 36 8.025 -3.574 -12.751 1.00 41.40 C ATOM 384 O VAL A 36 7.507 -4.656 -12.477 1.00 73.24 O ATOM 385 CB VAL A 36 7.616 -1.654 -11.210 1.00 3.32 C ATOM 386 CG1 VAL A 36 7.353 -0.653 -12.324 1.00 54.33 C ATOM 387 CG2 VAL A 36 6.325 -2.326 -10.769 1.00 71.13 C ATOM 0 H VAL A 36 9.818 -1.070 -12.244 1.00 52.34 H new ATOM 0 HA VAL A 36 8.911 -3.333 -10.809 1.00 53.11 H new ATOM 0 HB VAL A 36 8.026 -1.112 -10.357 1.00 3.32 H new ATOM 0 HG11 VAL A 36 6.623 0.083 -11.987 1.00 54.33 H new ATOM 0 HG12 VAL A 36 8.283 -0.148 -12.586 1.00 54.33 H new ATOM 0 HG13 VAL A 36 6.965 -1.175 -13.198 1.00 54.33 H new ATOM 0 HG21 VAL A 36 5.609 -1.567 -10.454 1.00 71.13 H new ATOM 0 HG22 VAL A 36 5.908 -2.895 -11.600 1.00 71.13 H new ATOM 0 HG23 VAL A 36 6.531 -2.999 -9.936 1.00 71.13 H new ATOM 397 N ARG A 37 8.082 -3.090 -13.988 1.00 21.43 N ATOM 398 CA ARG A 37 7.525 -3.821 -15.120 1.00 10.22 C ATOM 399 C ARG A 37 8.262 -5.140 -15.331 1.00 73.23 C ATOM 400 O ARG A 37 7.643 -6.180 -15.559 1.00 70.42 O ATOM 401 CB ARG A 37 7.603 -2.972 -16.390 1.00 14.30 C ATOM 402 CG ARG A 37 6.874 -3.582 -17.576 1.00 14.21 C ATOM 403 CD ARG A 37 7.773 -4.528 -18.356 1.00 32.22 C ATOM 404 NE ARG A 37 7.707 -4.284 -19.794 1.00 65.43 N ATOM 405 CZ ARG A 37 8.268 -3.237 -20.388 1.00 42.03 C ATOM 406 NH1 ARG A 37 8.933 -2.341 -19.671 1.00 71.34 N ATOM 407 NH2 ARG A 37 8.165 -3.084 -21.702 1.00 62.24 N ATOM 0 H ARG A 37 8.508 -2.196 -14.231 1.00 21.43 H new ATOM 0 HA ARG A 37 6.480 -4.040 -14.901 1.00 10.22 H new ATOM 0 HB2 ARG A 37 7.184 -1.987 -16.185 1.00 14.30 H new ATOM 0 HB3 ARG A 37 8.650 -2.825 -16.655 1.00 14.30 H new ATOM 0 HG2 ARG A 37 5.994 -4.121 -17.225 1.00 14.21 H new ATOM 0 HG3 ARG A 37 6.520 -2.789 -18.234 1.00 14.21 H new ATOM 0 HD2 ARG A 37 8.802 -4.413 -18.016 1.00 32.22 H new ATOM 0 HD3 ARG A 37 7.482 -5.558 -18.149 1.00 32.22 H new ATOM 0 HE ARG A 37 7.202 -4.954 -20.374 1.00 65.43 H new ATOM 0 HH11 ARG A 37 9.015 -2.455 -18.661 1.00 71.34 H new ATOM 0 HH12 ARG A 37 9.363 -1.538 -20.130 1.00 71.34 H new ATOM 0 HH21 ARG A 37 7.655 -3.771 -22.257 1.00 62.24 H new ATOM 0 HH22 ARG A 37 8.596 -2.279 -22.157 1.00 62.24 H new ATOM 421 N THR A 38 9.588 -5.090 -15.255 1.00 21.52 N ATOM 422 CA THR A 38 10.409 -6.280 -15.439 1.00 64.14 C ATOM 423 C THR A 38 10.248 -7.246 -14.271 1.00 64.12 C ATOM 424 O THR A 38 10.229 -8.463 -14.456 1.00 61.12 O ATOM 425 CB THR A 38 11.899 -5.917 -15.589 1.00 12.21 C ATOM 426 OG1 THR A 38 12.072 -4.992 -16.669 1.00 34.43 O ATOM 427 CG2 THR A 38 12.737 -7.161 -15.841 1.00 33.20 C ATOM 0 H THR A 38 10.116 -4.238 -15.067 1.00 21.52 H new ATOM 0 HA THR A 38 10.066 -6.762 -16.355 1.00 64.14 H new ATOM 0 HB THR A 38 12.233 -5.456 -14.659 1.00 12.21 H new ATOM 0 HG1 THR A 38 11.811 -4.094 -16.376 1.00 34.43 H new ATOM 0 HG21 THR A 38 13.785 -6.879 -15.943 1.00 33.20 H new ATOM 0 HG22 THR A 38 12.627 -7.850 -15.003 1.00 33.20 H new ATOM 0 HG23 THR A 38 12.401 -7.647 -16.757 1.00 33.20 H new ATOM 435 N LYS A 39 10.132 -6.697 -13.067 1.00 4.40 N ATOM 436 CA LYS A 39 9.971 -7.509 -11.867 1.00 72.11 C ATOM 437 C LYS A 39 8.670 -8.304 -11.919 1.00 51.23 C ATOM 438 O LYS A 39 8.646 -9.496 -11.613 1.00 63.12 O ATOM 439 CB LYS A 39 9.990 -6.623 -10.620 1.00 14.33 C ATOM 440 CG LYS A 39 11.264 -6.748 -9.804 1.00 25.14 C ATOM 441 CD LYS A 39 11.248 -7.992 -8.931 1.00 11.11 C ATOM 442 CE LYS A 39 10.234 -7.868 -7.804 1.00 22.43 C ATOM 443 NZ LYS A 39 10.733 -8.478 -6.540 1.00 10.01 N ATOM 0 H LYS A 39 10.147 -5.692 -12.896 1.00 4.40 H new ATOM 0 HA LYS A 39 10.804 -8.211 -11.819 1.00 72.11 H new ATOM 0 HB2 LYS A 39 9.862 -5.583 -10.921 1.00 14.33 H new ATOM 0 HB3 LYS A 39 9.138 -6.879 -9.990 1.00 14.33 H new ATOM 0 HG2 LYS A 39 12.124 -6.783 -10.473 1.00 25.14 H new ATOM 0 HG3 LYS A 39 11.384 -5.864 -9.177 1.00 25.14 H new ATOM 0 HD2 LYS A 39 11.011 -8.863 -9.541 1.00 11.11 H new ATOM 0 HD3 LYS A 39 12.241 -8.157 -8.512 1.00 11.11 H new ATOM 0 HE2 LYS A 39 10.006 -6.816 -7.634 1.00 22.43 H new ATOM 0 HE3 LYS A 39 9.303 -8.352 -8.098 1.00 22.43 H new ATOM 0 HZ1 LYS A 39 10.014 -8.373 -5.796 1.00 10.01 H new ATOM 0 HZ2 LYS A 39 10.926 -9.488 -6.695 1.00 10.01 H new ATOM 0 HZ3 LYS A 39 11.608 -7.999 -6.245 1.00 10.01 H new ATOM 457 N VAL A 40 7.589 -7.636 -12.310 1.00 60.23 N ATOM 458 CA VAL A 40 6.285 -8.281 -12.405 1.00 72.02 C ATOM 459 C VAL A 40 6.255 -9.296 -13.542 1.00 62.22 C ATOM 460 O VAL A 40 5.762 -10.413 -13.378 1.00 52.34 O ATOM 461 CB VAL A 40 5.163 -7.249 -12.624 1.00 52.30 C ATOM 462 CG1 VAL A 40 3.804 -7.932 -12.638 1.00 51.25 C ATOM 463 CG2 VAL A 40 5.215 -6.170 -11.552 1.00 63.34 C ATOM 0 H VAL A 40 7.591 -6.649 -12.566 1.00 60.23 H new ATOM 0 HA VAL A 40 6.117 -8.795 -11.459 1.00 72.02 H new ATOM 0 HB VAL A 40 5.314 -6.774 -13.593 1.00 52.30 H new ATOM 0 HG11 VAL A 40 3.024 -7.187 -12.794 1.00 51.25 H new ATOM 0 HG12 VAL A 40 3.773 -8.664 -13.445 1.00 51.25 H new ATOM 0 HG13 VAL A 40 3.640 -8.435 -11.685 1.00 51.25 H new ATOM 0 HG21 VAL A 40 4.415 -5.449 -11.722 1.00 63.34 H new ATOM 0 HG22 VAL A 40 5.089 -6.626 -10.570 1.00 63.34 H new ATOM 0 HG23 VAL A 40 6.178 -5.661 -11.595 1.00 63.34 H new ATOM 473 N CYS A 41 6.786 -8.902 -14.694 1.00 4.31 N ATOM 474 CA CYS A 41 6.821 -9.778 -15.860 1.00 11.51 C ATOM 475 C CYS A 41 7.548 -11.080 -15.540 1.00 51.34 C ATOM 476 O CYS A 41 7.077 -12.165 -15.881 1.00 0.44 O ATOM 477 CB CYS A 41 7.504 -9.073 -17.033 1.00 55.20 C ATOM 478 SG CYS A 41 6.378 -8.603 -18.368 1.00 1.32 S ATOM 0 H CYS A 41 7.198 -7.981 -14.846 1.00 4.31 H new ATOM 0 HA CYS A 41 5.794 -10.015 -16.137 1.00 11.51 H new ATOM 0 HB2 CYS A 41 8.006 -8.179 -16.663 1.00 55.20 H new ATOM 0 HB3 CYS A 41 8.276 -9.728 -17.437 1.00 55.20 H new ATOM 0 HG CYS A 41 5.803 -9.667 -18.846 1.00 1.32 H new ATOM 484 N ALA A 42 8.699 -10.964 -14.886 1.00 13.41 N ATOM 485 CA ALA A 42 9.491 -12.131 -14.520 1.00 73.43 C ATOM 486 C ALA A 42 8.753 -12.999 -13.506 1.00 64.11 C ATOM 487 O ALA A 42 8.794 -14.227 -13.580 1.00 52.12 O ATOM 488 CB ALA A 42 10.841 -11.701 -13.967 1.00 1.02 C ATOM 0 H ALA A 42 9.104 -10.073 -14.599 1.00 13.41 H new ATOM 0 HA ALA A 42 9.653 -12.726 -15.419 1.00 73.43 H new ATOM 0 HB1 ALA A 42 11.422 -12.583 -13.698 1.00 1.02 H new ATOM 0 HB2 ALA A 42 11.379 -11.130 -14.724 1.00 1.02 H new ATOM 0 HB3 ALA A 42 10.691 -11.082 -13.083 1.00 1.02 H new ATOM 494 N MET A 43 8.081 -12.353 -12.559 1.00 41.12 N ATOM 495 CA MET A 43 7.334 -13.067 -11.530 1.00 42.01 C ATOM 496 C MET A 43 6.265 -13.958 -12.154 1.00 61.31 C ATOM 497 O MET A 43 5.896 -14.990 -11.592 1.00 44.21 O ATOM 498 CB MET A 43 6.687 -12.077 -10.560 1.00 52.21 C ATOM 499 CG MET A 43 7.398 -11.986 -9.220 1.00 31.13 C ATOM 500 SD MET A 43 6.599 -12.975 -7.941 1.00 54.30 S ATOM 501 CE MET A 43 7.913 -14.119 -7.527 1.00 73.32 C ATOM 0 H MET A 43 8.038 -11.337 -12.483 1.00 41.12 H new ATOM 0 HA MET A 43 8.033 -13.698 -10.981 1.00 42.01 H new ATOM 0 HB2 MET A 43 6.669 -11.089 -11.020 1.00 52.21 H new ATOM 0 HB3 MET A 43 5.650 -12.370 -10.393 1.00 52.21 H new ATOM 0 HG2 MET A 43 8.430 -12.316 -9.338 1.00 31.13 H new ATOM 0 HG3 MET A 43 7.431 -10.944 -8.901 1.00 31.13 H new ATOM 0 HE1 MET A 43 7.571 -14.799 -6.747 1.00 73.32 H new ATOM 0 HE2 MET A 43 8.189 -14.692 -8.412 1.00 73.32 H new ATOM 0 HE3 MET A 43 8.780 -13.563 -7.170 1.00 73.32 H new ATOM 511 N LYS A 44 5.770 -13.554 -13.319 1.00 42.01 N ATOM 512 CA LYS A 44 4.744 -14.316 -14.021 1.00 11.23 C ATOM 513 C LYS A 44 5.369 -15.249 -15.052 1.00 61.34 C ATOM 514 O LYS A 44 4.686 -16.088 -15.641 1.00 23.14 O ATOM 515 CB LYS A 44 3.756 -13.369 -14.706 1.00 61.13 C ATOM 516 CG LYS A 44 3.314 -12.211 -13.828 1.00 73.50 C ATOM 517 CD LYS A 44 1.799 -12.098 -13.776 1.00 44.35 C ATOM 518 CE LYS A 44 1.173 -13.301 -13.089 1.00 21.21 C ATOM 519 NZ LYS A 44 0.102 -13.919 -13.919 1.00 12.33 N ATOM 0 H LYS A 44 6.063 -12.702 -13.797 1.00 42.01 H new ATOM 0 HA LYS A 44 4.210 -14.920 -13.288 1.00 11.23 H new ATOM 0 HB2 LYS A 44 4.214 -12.973 -15.612 1.00 61.13 H new ATOM 0 HB3 LYS A 44 2.878 -13.936 -15.015 1.00 61.13 H new ATOM 0 HG2 LYS A 44 3.705 -12.348 -12.820 1.00 73.50 H new ATOM 0 HG3 LYS A 44 3.736 -11.282 -14.210 1.00 73.50 H new ATOM 0 HD2 LYS A 44 1.519 -11.188 -13.245 1.00 44.35 H new ATOM 0 HD3 LYS A 44 1.405 -12.010 -14.788 1.00 44.35 H new ATOM 0 HE2 LYS A 44 1.944 -14.042 -12.881 1.00 21.21 H new ATOM 0 HE3 LYS A 44 0.757 -12.995 -12.129 1.00 21.21 H new ATOM 0 HZ1 LYS A 44 -0.300 -14.736 -13.416 1.00 12.33 H new ATOM 0 HZ2 LYS A 44 -0.647 -13.219 -14.097 1.00 12.33 H new ATOM 0 HZ3 LYS A 44 0.503 -14.234 -14.825 1.00 12.33 H new ATOM 533 N LYS A 45 6.672 -15.099 -15.267 1.00 32.24 N ATOM 534 CA LYS A 45 7.391 -15.930 -16.225 1.00 72.20 C ATOM 535 C LYS A 45 6.870 -15.703 -17.641 1.00 3.54 C ATOM 536 O LYS A 45 6.459 -16.644 -18.321 1.00 2.42 O ATOM 537 CB LYS A 45 7.255 -17.408 -15.852 1.00 65.21 C ATOM 538 CG LYS A 45 8.486 -18.235 -16.185 1.00 54.40 C ATOM 539 CD LYS A 45 8.605 -18.480 -17.680 1.00 10.41 C ATOM 540 CE LYS A 45 7.473 -19.356 -18.193 1.00 60.41 C ATOM 541 NZ LYS A 45 7.975 -20.648 -18.738 1.00 43.14 N ATOM 0 H LYS A 45 7.252 -14.409 -14.790 1.00 32.24 H new ATOM 0 HA LYS A 45 8.444 -15.649 -16.194 1.00 72.20 H new ATOM 0 HB2 LYS A 45 7.052 -17.487 -14.784 1.00 65.21 H new ATOM 0 HB3 LYS A 45 6.394 -17.828 -16.372 1.00 65.21 H new ATOM 0 HG2 LYS A 45 9.378 -17.721 -15.827 1.00 54.40 H new ATOM 0 HG3 LYS A 45 8.437 -19.190 -15.662 1.00 54.40 H new ATOM 0 HD2 LYS A 45 8.596 -17.526 -18.208 1.00 10.41 H new ATOM 0 HD3 LYS A 45 9.561 -18.956 -17.897 1.00 10.41 H new ATOM 0 HE2 LYS A 45 6.770 -19.552 -17.383 1.00 60.41 H new ATOM 0 HE3 LYS A 45 6.924 -18.823 -18.970 1.00 60.41 H new ATOM 0 HZ1 LYS A 45 7.173 -21.217 -19.078 1.00 43.14 H new ATOM 0 HZ2 LYS A 45 8.626 -20.462 -19.527 1.00 43.14 H new ATOM 0 HZ3 LYS A 45 8.477 -21.169 -17.990 1.00 43.14 H new ATOM 555 N LEU A 46 6.892 -14.449 -18.079 1.00 51.24 N ATOM 556 CA LEU A 46 6.423 -14.098 -19.416 1.00 5.34 C ATOM 557 C LEU A 46 7.573 -13.586 -20.279 1.00 35.25 C ATOM 558 O LEU A 46 8.610 -13.150 -19.779 1.00 60.21 O ATOM 559 CB LEU A 46 5.324 -13.038 -19.330 1.00 11.32 C ATOM 560 CG LEU A 46 3.912 -13.556 -19.055 1.00 31.10 C ATOM 561 CD1 LEU A 46 2.953 -12.398 -18.828 1.00 12.21 C ATOM 562 CD2 LEU A 46 3.432 -14.431 -20.204 1.00 11.11 C ATOM 0 H LEU A 46 7.229 -13.659 -17.529 1.00 51.24 H new ATOM 0 HA LEU A 46 6.017 -14.997 -19.880 1.00 5.34 H new ATOM 0 HB2 LEU A 46 5.590 -12.331 -18.544 1.00 11.32 H new ATOM 0 HB3 LEU A 46 5.309 -12.482 -20.267 1.00 11.32 H new ATOM 0 HG LEU A 46 3.938 -14.162 -18.149 1.00 31.10 H new ATOM 0 HD11 LEU A 46 1.953 -12.786 -18.634 1.00 12.21 H new ATOM 0 HD12 LEU A 46 3.287 -11.811 -17.972 1.00 12.21 H new ATOM 0 HD13 LEU A 46 2.930 -11.765 -19.715 1.00 12.21 H new ATOM 0 HD21 LEU A 46 2.425 -14.791 -19.991 1.00 11.11 H new ATOM 0 HD22 LEU A 46 3.422 -13.849 -21.125 1.00 11.11 H new ATOM 0 HD23 LEU A 46 4.104 -15.281 -20.319 1.00 11.11 H new ATOM 574 N PRO A 47 7.385 -13.638 -21.606 1.00 13.44 N ATOM 575 CA PRO A 47 8.394 -13.181 -22.566 1.00 75.02 C ATOM 576 C PRO A 47 8.565 -11.666 -22.551 1.00 10.15 C ATOM 577 O PRO A 47 7.675 -10.912 -22.944 1.00 35.20 O ATOM 578 CB PRO A 47 7.834 -13.642 -23.914 1.00 51.03 C ATOM 579 CG PRO A 47 6.362 -13.730 -23.703 1.00 52.34 C ATOM 580 CD PRO A 47 6.173 -14.145 -22.271 1.00 32.04 C ATOM 0 HA PRO A 47 9.383 -13.580 -22.340 1.00 75.02 H new ATOM 0 HB2 PRO A 47 8.079 -12.935 -24.707 1.00 51.03 H new ATOM 0 HB3 PRO A 47 8.250 -14.606 -24.207 1.00 51.03 H new ATOM 0 HG2 PRO A 47 5.882 -12.771 -23.898 1.00 52.34 H new ATOM 0 HG3 PRO A 47 5.913 -14.455 -24.382 1.00 52.34 H new ATOM 0 HD2 PRO A 47 5.269 -13.712 -21.843 1.00 32.04 H new ATOM 0 HD3 PRO A 47 6.085 -15.227 -22.175 1.00 32.04 H new ATOM 588 N PRO A 48 9.737 -11.207 -22.086 1.00 15.10 N ATOM 589 CA PRO A 48 10.052 -9.777 -22.009 1.00 63.51 C ATOM 590 C PRO A 48 10.241 -9.151 -23.386 1.00 41.33 C ATOM 591 O PRO A 48 10.032 -7.951 -23.567 1.00 4.24 O ATOM 592 CB PRO A 48 11.365 -9.746 -21.223 1.00 22.03 C ATOM 593 CG PRO A 48 11.985 -11.079 -21.467 1.00 0.41 C ATOM 594 CD PRO A 48 10.843 -12.048 -21.600 1.00 64.14 C ATOM 0 HA PRO A 48 9.248 -9.206 -21.545 1.00 63.51 H new ATOM 0 HB2 PRO A 48 12.013 -8.939 -21.566 1.00 22.03 H new ATOM 0 HB3 PRO A 48 11.186 -9.581 -20.160 1.00 22.03 H new ATOM 0 HG2 PRO A 48 12.594 -11.067 -22.371 1.00 0.41 H new ATOM 0 HG3 PRO A 48 12.642 -11.360 -20.644 1.00 0.41 H new ATOM 0 HD2 PRO A 48 11.076 -12.850 -22.301 1.00 64.14 H new ATOM 0 HD3 PRO A 48 10.602 -12.518 -20.647 1.00 64.14 H new ATOM 602 N ASP A 49 10.636 -9.970 -24.355 1.00 5.44 N ATOM 603 CA ASP A 49 10.852 -9.495 -25.717 1.00 31.33 C ATOM 604 C ASP A 49 9.537 -9.059 -26.354 1.00 53.54 C ATOM 605 O ASP A 49 9.475 -8.039 -27.042 1.00 45.30 O ATOM 606 CB ASP A 49 11.505 -10.589 -26.563 1.00 71.11 C ATOM 607 CG ASP A 49 13.005 -10.407 -26.687 1.00 71.21 C ATOM 608 OD1 ASP A 49 13.587 -9.686 -25.850 1.00 14.42 O ATOM 609 OD2 ASP A 49 13.597 -10.987 -27.621 1.00 22.12 O ATOM 0 H ASP A 49 10.813 -10.966 -24.223 1.00 5.44 H new ATOM 0 HA ASP A 49 11.518 -8.633 -25.675 1.00 31.33 H new ATOM 0 HB2 ASP A 49 11.296 -11.562 -26.118 1.00 71.11 H new ATOM 0 HB3 ASP A 49 11.059 -10.590 -27.557 1.00 71.11 H new ATOM 614 N THR A 50 8.485 -9.838 -26.123 1.00 12.02 N ATOM 615 CA THR A 50 7.171 -9.533 -26.676 1.00 63.50 C ATOM 616 C THR A 50 6.171 -9.210 -25.572 1.00 23.01 C ATOM 617 O THR A 50 5.222 -9.959 -25.340 1.00 75.15 O ATOM 618 CB THR A 50 6.630 -10.706 -27.516 1.00 40.30 C ATOM 619 OG1 THR A 50 6.562 -11.891 -26.716 1.00 34.21 O ATOM 620 CG2 THR A 50 7.514 -10.956 -28.728 1.00 62.33 C ATOM 0 H THR A 50 8.517 -10.685 -25.556 1.00 12.02 H new ATOM 0 HA THR A 50 7.293 -8.661 -27.318 1.00 63.50 H new ATOM 0 HB THR A 50 5.630 -10.445 -27.863 1.00 40.30 H new ATOM 0 HG1 THR A 50 5.787 -12.426 -26.989 1.00 34.21 H new ATOM 0 HG21 THR A 50 7.112 -11.788 -29.306 1.00 62.33 H new ATOM 0 HG22 THR A 50 7.540 -10.061 -29.350 1.00 62.33 H new ATOM 0 HG23 THR A 50 8.524 -11.198 -28.398 1.00 62.33 H new ATOM 628 N THR A 51 6.390 -8.089 -24.892 1.00 15.41 N ATOM 629 CA THR A 51 5.507 -7.666 -23.811 1.00 65.14 C ATOM 630 C THR A 51 5.306 -6.155 -23.825 1.00 23.11 C ATOM 631 O THR A 51 6.258 -5.394 -24.003 1.00 32.32 O ATOM 632 CB THR A 51 6.061 -8.087 -22.437 1.00 5.50 C ATOM 633 OG1 THR A 51 5.074 -7.868 -21.423 1.00 61.32 O ATOM 634 CG2 THR A 51 7.323 -7.306 -22.100 1.00 52.41 C ATOM 0 H THR A 51 7.171 -7.458 -25.070 1.00 15.41 H new ATOM 0 HA THR A 51 4.548 -8.158 -23.974 1.00 65.14 H new ATOM 0 HB THR A 51 6.309 -9.148 -22.479 1.00 5.50 H new ATOM 0 HG1 THR A 51 4.523 -8.672 -21.324 1.00 61.32 H new ATOM 0 HG21 THR A 51 7.696 -7.620 -21.125 1.00 52.41 H new ATOM 0 HG22 THR A 51 8.083 -7.497 -22.858 1.00 52.41 H new ATOM 0 HG23 THR A 51 7.096 -6.240 -22.075 1.00 52.41 H new ATOM 642 N ARG A 52 4.063 -5.727 -23.635 1.00 54.33 N ATOM 643 CA ARG A 52 3.737 -4.306 -23.626 1.00 41.43 C ATOM 644 C ARG A 52 3.168 -3.887 -22.274 1.00 11.21 C ATOM 645 O ARG A 52 2.663 -4.717 -21.517 1.00 4.15 O ATOM 646 CB ARG A 52 2.734 -3.983 -24.736 1.00 23.34 C ATOM 647 CG ARG A 52 3.384 -3.504 -26.023 1.00 52.33 C ATOM 648 CD ARG A 52 2.908 -2.110 -26.402 1.00 3.35 C ATOM 649 NE ARG A 52 3.477 -1.663 -27.670 1.00 41.23 N ATOM 650 CZ ARG A 52 3.130 -0.531 -28.273 1.00 71.33 C ATOM 651 NH1 ARG A 52 2.221 0.264 -27.726 1.00 23.14 N ATOM 652 NH2 ARG A 52 3.692 -0.193 -29.426 1.00 45.14 N ATOM 0 H ARG A 52 3.265 -6.344 -23.485 1.00 54.33 H new ATOM 0 HA ARG A 52 4.656 -3.747 -23.803 1.00 41.43 H new ATOM 0 HB2 ARG A 52 2.140 -4.872 -24.948 1.00 23.34 H new ATOM 0 HB3 ARG A 52 2.045 -3.217 -24.380 1.00 23.34 H new ATOM 0 HG2 ARG A 52 4.468 -3.500 -25.905 1.00 52.33 H new ATOM 0 HG3 ARG A 52 3.154 -4.200 -26.829 1.00 52.33 H new ATOM 0 HD2 ARG A 52 1.820 -2.105 -26.471 1.00 3.35 H new ATOM 0 HD3 ARG A 52 3.181 -1.407 -25.615 1.00 3.35 H new ATOM 0 HE ARG A 52 4.179 -2.252 -28.117 1.00 41.23 H new ATOM 0 HH11 ARG A 52 1.786 0.007 -26.840 1.00 23.14 H new ATOM 0 HH12 ARG A 52 1.957 1.132 -28.191 1.00 23.14 H new ATOM 0 HH21 ARG A 52 4.391 -0.802 -29.851 1.00 45.14 H new ATOM 0 HH22 ARG A 52 3.425 0.676 -29.888 1.00 45.14 H new ATOM 666 N LEU A 53 3.253 -2.595 -21.977 1.00 12.23 N ATOM 667 CA LEU A 53 2.747 -2.065 -20.715 1.00 73.12 C ATOM 668 C LEU A 53 1.986 -0.762 -20.938 1.00 33.10 C ATOM 669 O LEU A 53 2.526 0.200 -21.486 1.00 33.32 O ATOM 670 CB LEU A 53 3.900 -1.835 -19.737 1.00 11.41 C ATOM 671 CG LEU A 53 3.676 -0.755 -18.677 1.00 75.32 C ATOM 672 CD1 LEU A 53 2.473 -1.098 -17.812 1.00 75.24 C ATOM 673 CD2 LEU A 53 4.920 -0.584 -17.819 1.00 3.22 C ATOM 0 H LEU A 53 3.667 -1.895 -22.592 1.00 12.23 H new ATOM 0 HA LEU A 53 2.060 -2.797 -20.291 1.00 73.12 H new ATOM 0 HB2 LEU A 53 4.112 -2.776 -19.229 1.00 11.41 H new ATOM 0 HB3 LEU A 53 4.790 -1.574 -20.310 1.00 11.41 H new ATOM 0 HG LEU A 53 3.476 0.189 -19.184 1.00 75.32 H new ATOM 0 HD11 LEU A 53 2.329 -0.319 -17.064 1.00 75.24 H new ATOM 0 HD12 LEU A 53 1.583 -1.169 -18.438 1.00 75.24 H new ATOM 0 HD13 LEU A 53 2.643 -2.052 -17.314 1.00 75.24 H new ATOM 0 HD21 LEU A 53 4.742 0.188 -17.071 1.00 3.22 H new ATOM 0 HD22 LEU A 53 5.151 -1.526 -17.321 1.00 3.22 H new ATOM 0 HD23 LEU A 53 5.760 -0.292 -18.450 1.00 3.22 H new ATOM 685 N THR A 54 0.728 -0.736 -20.508 1.00 20.13 N ATOM 686 CA THR A 54 -0.107 0.449 -20.659 1.00 32.40 C ATOM 687 C THR A 54 -0.728 0.857 -19.328 1.00 2.30 C ATOM 688 O THR A 54 -1.479 0.093 -18.722 1.00 14.43 O ATOM 689 CB THR A 54 -1.231 0.216 -21.687 1.00 0.25 C ATOM 690 OG1 THR A 54 -2.199 -0.696 -21.156 1.00 64.53 O ATOM 691 CG2 THR A 54 -0.668 -0.333 -22.989 1.00 34.23 C ATOM 0 H THR A 54 0.265 -1.523 -20.052 1.00 20.13 H new ATOM 0 HA THR A 54 0.541 1.250 -21.015 1.00 32.40 H new ATOM 0 HB THR A 54 -1.710 1.173 -21.893 1.00 0.25 H new ATOM 0 HG1 THR A 54 -2.211 -0.627 -20.178 1.00 64.53 H new ATOM 0 HG21 THR A 54 -1.480 -0.489 -23.699 1.00 34.23 H new ATOM 0 HG22 THR A 54 0.046 0.378 -23.405 1.00 34.23 H new ATOM 0 HG23 THR A 54 -0.166 -1.281 -22.797 1.00 34.23 H new ATOM 699 N TYR A 55 -0.410 2.066 -18.879 1.00 5.22 N ATOM 700 CA TYR A 55 -0.935 2.576 -17.618 1.00 20.22 C ATOM 701 C TYR A 55 -1.679 3.891 -17.829 1.00 74.44 C ATOM 702 O TYR A 55 -1.147 4.832 -18.418 1.00 31.10 O ATOM 703 CB TYR A 55 0.200 2.776 -16.612 1.00 32.52 C ATOM 704 CG TYR A 55 -0.254 3.367 -15.296 1.00 52.25 C ATOM 705 CD1 TYR A 55 -0.867 2.577 -14.332 1.00 31.03 C ATOM 706 CD2 TYR A 55 -0.071 4.716 -15.019 1.00 12.13 C ATOM 707 CE1 TYR A 55 -1.284 3.113 -13.129 1.00 12.23 C ATOM 708 CE2 TYR A 55 -0.484 5.261 -13.818 1.00 62.50 C ATOM 709 CZ TYR A 55 -1.090 4.455 -12.876 1.00 41.24 C ATOM 710 OH TYR A 55 -1.504 4.994 -11.680 1.00 5.03 O ATOM 0 H TYR A 55 0.209 2.711 -19.370 1.00 5.22 H new ATOM 0 HA TYR A 55 -1.637 1.841 -17.223 1.00 20.22 H new ATOM 0 HB2 TYR A 55 0.680 1.816 -16.423 1.00 32.52 H new ATOM 0 HB3 TYR A 55 0.954 3.428 -17.053 1.00 32.52 H new ATOM 0 HD1 TYR A 55 -1.020 1.526 -14.526 1.00 31.03 H new ATOM 0 HD2 TYR A 55 0.402 5.350 -15.755 1.00 12.13 H new ATOM 0 HE1 TYR A 55 -1.759 2.485 -12.390 1.00 12.23 H new ATOM 0 HE2 TYR A 55 -0.333 6.312 -13.618 1.00 62.50 H new ATOM 0 HH TYR A 55 -2.188 4.417 -11.280 1.00 5.03 H new ATOM 720 N LYS A 56 -2.915 3.948 -17.344 1.00 60.12 N ATOM 721 CA LYS A 56 -3.735 5.146 -17.477 1.00 3.43 C ATOM 722 C LYS A 56 -3.862 5.559 -18.940 1.00 10.44 C ATOM 723 O LYS A 56 -3.953 6.745 -19.254 1.00 51.31 O ATOM 724 CB LYS A 56 -3.133 6.294 -16.662 1.00 64.34 C ATOM 725 CG LYS A 56 -3.363 6.164 -15.167 1.00 11.34 C ATOM 726 CD LYS A 56 -4.769 6.592 -14.780 1.00 21.00 C ATOM 727 CE LYS A 56 -5.461 5.533 -13.935 1.00 51.33 C ATOM 728 NZ LYS A 56 -6.913 5.818 -13.769 1.00 53.23 N ATOM 0 H LYS A 56 -3.371 3.178 -16.855 1.00 60.12 H new ATOM 0 HA LYS A 56 -4.730 4.919 -17.094 1.00 3.43 H new ATOM 0 HB2 LYS A 56 -2.061 6.341 -16.853 1.00 64.34 H new ATOM 0 HB3 LYS A 56 -3.560 7.236 -17.006 1.00 64.34 H new ATOM 0 HG2 LYS A 56 -3.199 5.131 -14.861 1.00 11.34 H new ATOM 0 HG3 LYS A 56 -2.636 6.774 -14.632 1.00 11.34 H new ATOM 0 HD2 LYS A 56 -4.726 7.530 -14.226 1.00 21.00 H new ATOM 0 HD3 LYS A 56 -5.354 6.780 -15.680 1.00 21.00 H new ATOM 0 HE2 LYS A 56 -5.334 4.556 -14.401 1.00 51.33 H new ATOM 0 HE3 LYS A 56 -4.986 5.483 -12.955 1.00 51.33 H new ATOM 0 HZ1 LYS A 56 -7.349 5.074 -13.187 1.00 53.23 H new ATOM 0 HZ2 LYS A 56 -7.035 6.739 -13.301 1.00 53.23 H new ATOM 0 HZ3 LYS A 56 -7.371 5.841 -14.702 1.00 53.23 H new ATOM 742 N GLY A 57 -3.869 4.572 -19.830 1.00 51.23 N ATOM 743 CA GLY A 57 -3.987 4.854 -21.249 1.00 52.00 C ATOM 744 C GLY A 57 -2.731 5.479 -21.823 1.00 22.34 C ATOM 745 O GLY A 57 -2.712 5.902 -22.979 1.00 21.43 O ATOM 0 H GLY A 57 -3.795 3.582 -19.594 1.00 51.23 H new ATOM 0 HA2 GLY A 57 -4.205 3.929 -21.783 1.00 52.00 H new ATOM 0 HA3 GLY A 57 -4.831 5.524 -21.414 1.00 52.00 H new ATOM 749 N ARG A 58 -1.679 5.539 -21.013 1.00 21.23 N ATOM 750 CA ARG A 58 -0.414 6.119 -21.446 1.00 5.35 C ATOM 751 C ARG A 58 0.736 5.139 -21.230 1.00 41.32 C ATOM 752 O ARG A 58 0.611 4.177 -20.474 1.00 31.13 O ATOM 753 CB ARG A 58 -0.138 7.419 -20.687 1.00 55.24 C ATOM 754 CG ARG A 58 -0.475 8.671 -21.482 1.00 23.50 C ATOM 755 CD ARG A 58 0.456 9.821 -21.130 1.00 73.30 C ATOM 756 NE ARG A 58 0.683 10.709 -22.267 1.00 75.30 N ATOM 757 CZ ARG A 58 1.458 10.397 -23.300 1.00 0.24 C ATOM 758 NH1 ARG A 58 2.077 9.225 -23.338 1.00 42.51 N ATOM 759 NH2 ARG A 58 1.615 11.258 -24.297 1.00 11.53 N ATOM 0 H ARG A 58 -1.678 5.193 -20.053 1.00 21.23 H new ATOM 0 HA ARG A 58 -0.489 6.336 -22.511 1.00 5.35 H new ATOM 0 HB2 ARG A 58 -0.715 7.420 -19.762 1.00 55.24 H new ATOM 0 HB3 ARG A 58 0.915 7.449 -20.406 1.00 55.24 H new ATOM 0 HG2 ARG A 58 -0.403 8.457 -22.548 1.00 23.50 H new ATOM 0 HG3 ARG A 58 -1.506 8.963 -21.284 1.00 23.50 H new ATOM 0 HD2 ARG A 58 0.031 10.391 -20.304 1.00 73.30 H new ATOM 0 HD3 ARG A 58 1.410 9.422 -20.785 1.00 73.30 H new ATOM 0 HE ARG A 58 0.221 11.619 -22.268 1.00 75.30 H new ATOM 0 HH11 ARG A 58 1.959 8.561 -22.573 1.00 42.51 H new ATOM 0 HH12 ARG A 58 2.671 8.988 -24.132 1.00 42.51 H new ATOM 0 HH21 ARG A 58 1.140 12.161 -24.271 1.00 11.53 H new ATOM 0 HH22 ARG A 58 2.210 11.017 -25.090 1.00 11.53 H new ATOM 773 N ALA A 59 1.855 5.391 -21.901 1.00 43.52 N ATOM 774 CA ALA A 59 3.027 4.533 -21.782 1.00 62.12 C ATOM 775 C ALA A 59 4.065 5.146 -20.848 1.00 54.51 C ATOM 776 O ALA A 59 4.382 6.332 -20.949 1.00 42.33 O ATOM 777 CB ALA A 59 3.635 4.276 -23.153 1.00 51.43 C ATOM 0 H ALA A 59 1.974 6.183 -22.533 1.00 43.52 H new ATOM 0 HA ALA A 59 2.708 3.583 -21.354 1.00 62.12 H new ATOM 0 HB1 ALA A 59 4.510 3.634 -23.049 1.00 51.43 H new ATOM 0 HB2 ALA A 59 2.899 3.787 -23.791 1.00 51.43 H new ATOM 0 HB3 ALA A 59 3.932 5.223 -23.603 1.00 51.43 H new ATOM 783 N LEU A 60 4.589 4.333 -19.938 1.00 63.14 N ATOM 784 CA LEU A 60 5.591 4.796 -18.985 1.00 4.12 C ATOM 785 C LEU A 60 6.839 3.920 -19.037 1.00 32.32 C ATOM 786 O LEU A 60 6.772 2.746 -19.404 1.00 13.34 O ATOM 787 CB LEU A 60 5.014 4.797 -17.568 1.00 51.43 C ATOM 788 CG LEU A 60 3.889 5.798 -17.303 1.00 55.13 C ATOM 789 CD1 LEU A 60 2.572 5.283 -17.865 1.00 25.55 C ATOM 790 CD2 LEU A 60 3.762 6.076 -15.813 1.00 3.25 C ATOM 0 H LEU A 60 4.337 3.350 -19.840 1.00 63.14 H new ATOM 0 HA LEU A 60 5.872 5.813 -19.257 1.00 4.12 H new ATOM 0 HB2 LEU A 60 4.642 3.796 -17.348 1.00 51.43 H new ATOM 0 HB3 LEU A 60 5.824 4.998 -16.867 1.00 51.43 H new ATOM 0 HG LEU A 60 4.135 6.733 -17.807 1.00 55.13 H new ATOM 0 HD11 LEU A 60 1.783 6.009 -17.667 1.00 25.55 H new ATOM 0 HD12 LEU A 60 2.668 5.136 -18.941 1.00 25.55 H new ATOM 0 HD13 LEU A 60 2.320 4.335 -17.390 1.00 25.55 H new ATOM 0 HD21 LEU A 60 2.956 6.790 -15.644 1.00 3.25 H new ATOM 0 HD22 LEU A 60 3.540 5.147 -15.287 1.00 3.25 H new ATOM 0 HD23 LEU A 60 4.699 6.490 -15.439 1.00 3.25 H new ATOM 802 N LYS A 61 7.977 4.496 -18.665 1.00 54.43 N ATOM 803 CA LYS A 61 9.240 3.768 -18.666 1.00 12.23 C ATOM 804 C LYS A 61 10.378 4.653 -18.168 1.00 1.22 C ATOM 805 O LYS A 61 10.900 4.451 -17.071 1.00 63.14 O ATOM 806 CB LYS A 61 9.556 3.255 -20.072 1.00 42.44 C ATOM 807 CG LYS A 61 9.633 1.741 -20.165 1.00 11.31 C ATOM 808 CD LYS A 61 8.724 1.203 -21.257 1.00 62.42 C ATOM 809 CE LYS A 61 9.439 1.144 -22.598 1.00 63.33 C ATOM 810 NZ LYS A 61 9.067 2.288 -23.476 1.00 24.11 N ATOM 0 H LYS A 61 8.050 5.466 -18.359 1.00 54.43 H new ATOM 0 HA LYS A 61 9.141 2.918 -17.990 1.00 12.23 H new ATOM 0 HB2 LYS A 61 8.792 3.614 -20.761 1.00 42.44 H new ATOM 0 HB3 LYS A 61 10.505 3.679 -20.400 1.00 42.44 H new ATOM 0 HG2 LYS A 61 10.661 1.440 -20.365 1.00 11.31 H new ATOM 0 HG3 LYS A 61 9.353 1.302 -19.208 1.00 11.31 H new ATOM 0 HD2 LYS A 61 8.377 0.206 -20.985 1.00 62.42 H new ATOM 0 HD3 LYS A 61 7.841 1.836 -21.342 1.00 62.42 H new ATOM 0 HE2 LYS A 61 10.517 1.147 -22.435 1.00 63.33 H new ATOM 0 HE3 LYS A 61 9.195 0.207 -23.099 1.00 63.33 H new ATOM 0 HZ1 LYS A 61 9.575 2.211 -24.380 1.00 24.11 H new ATOM 0 HZ2 LYS A 61 8.042 2.271 -23.652 1.00 24.11 H new ATOM 0 HZ3 LYS A 61 9.323 3.181 -23.009 1.00 24.11 H new ATOM 824 N ASP A 62 10.757 5.634 -18.979 1.00 52.43 N ATOM 825 CA ASP A 62 11.832 6.552 -18.620 1.00 14.12 C ATOM 826 C ASP A 62 11.353 7.574 -17.594 1.00 11.34 C ATOM 827 O ASP A 62 12.136 8.384 -17.096 1.00 15.42 O ATOM 828 CB ASP A 62 12.357 7.268 -19.865 1.00 1.52 C ATOM 829 CG ASP A 62 13.796 7.719 -19.709 1.00 64.24 C ATOM 830 OD1 ASP A 62 14.353 7.554 -18.604 1.00 11.42 O ATOM 831 OD2 ASP A 62 14.366 8.237 -20.693 1.00 70.51 O ATOM 0 H ASP A 62 10.336 5.814 -19.890 1.00 52.43 H new ATOM 0 HA ASP A 62 12.641 5.971 -18.177 1.00 14.12 H new ATOM 0 HB2 ASP A 62 12.279 6.602 -20.724 1.00 1.52 H new ATOM 0 HB3 ASP A 62 11.729 8.134 -20.075 1.00 1.52 H new ATOM 836 N THR A 63 10.061 7.532 -17.281 1.00 63.14 N ATOM 837 CA THR A 63 9.477 8.455 -16.317 1.00 4.13 C ATOM 838 C THR A 63 10.197 8.377 -14.975 1.00 63.43 C ATOM 839 O THR A 63 10.121 9.300 -14.165 1.00 62.24 O ATOM 840 CB THR A 63 7.980 8.168 -16.100 1.00 55.31 C ATOM 841 OG1 THR A 63 7.376 7.758 -17.332 1.00 62.31 O ATOM 842 CG2 THR A 63 7.265 9.400 -15.565 1.00 74.12 C ATOM 0 H THR A 63 9.399 6.867 -17.682 1.00 63.14 H new ATOM 0 HA THR A 63 9.591 9.457 -16.730 1.00 4.13 H new ATOM 0 HB THR A 63 7.889 7.367 -15.367 1.00 55.31 H new ATOM 0 HG1 THR A 63 6.424 7.576 -17.185 1.00 62.31 H new ATOM 0 HG21 THR A 63 6.209 9.173 -15.420 1.00 74.12 H new ATOM 0 HG22 THR A 63 7.708 9.693 -14.613 1.00 74.12 H new ATOM 0 HG23 THR A 63 7.366 10.218 -16.279 1.00 74.12 H new ATOM 850 N GLU A 64 10.896 7.269 -14.748 1.00 22.12 N ATOM 851 CA GLU A 64 11.630 7.071 -13.503 1.00 52.52 C ATOM 852 C GLU A 64 10.675 6.997 -12.315 1.00 62.40 C ATOM 853 O GLU A 64 10.329 5.911 -11.848 1.00 63.45 O ATOM 854 CB GLU A 64 12.636 8.205 -13.293 1.00 14.23 C ATOM 855 CG GLU A 64 14.066 7.820 -13.629 1.00 63.11 C ATOM 856 CD GLU A 64 15.022 8.064 -12.478 1.00 5.41 C ATOM 857 OE1 GLU A 64 14.789 7.510 -11.384 1.00 14.33 O ATOM 858 OE2 GLU A 64 16.005 8.810 -12.672 1.00 43.31 O ATOM 0 H GLU A 64 10.969 6.496 -15.409 1.00 22.12 H new ATOM 0 HA GLU A 64 12.168 6.126 -13.574 1.00 52.52 H new ATOM 0 HB2 GLU A 64 12.344 9.057 -13.907 1.00 14.23 H new ATOM 0 HB3 GLU A 64 12.591 8.531 -12.254 1.00 14.23 H new ATOM 0 HG2 GLU A 64 14.099 6.766 -13.906 1.00 63.11 H new ATOM 0 HG3 GLU A 64 14.397 8.389 -14.498 1.00 63.11 H new ATOM 865 N THR A 65 10.252 8.159 -11.829 1.00 5.53 N ATOM 866 CA THR A 65 9.340 8.227 -10.694 1.00 52.25 C ATOM 867 C THR A 65 7.896 8.377 -11.159 1.00 13.30 C ATOM 868 O THR A 65 7.629 8.951 -12.216 1.00 61.41 O ATOM 869 CB THR A 65 9.691 9.400 -9.760 1.00 1.20 C ATOM 870 OG1 THR A 65 9.618 10.637 -10.478 1.00 2.13 O ATOM 871 CG2 THR A 65 11.085 9.228 -9.176 1.00 42.21 C ATOM 0 H THR A 65 10.527 9.067 -12.204 1.00 5.53 H new ATOM 0 HA THR A 65 9.448 7.291 -10.145 1.00 52.25 H new ATOM 0 HB THR A 65 8.971 9.412 -8.942 1.00 1.20 H new ATOM 0 HG1 THR A 65 9.167 11.310 -9.926 1.00 2.13 H new ATOM 0 HG21 THR A 65 11.311 10.068 -8.520 1.00 42.21 H new ATOM 0 HG22 THR A 65 11.129 8.300 -8.606 1.00 42.21 H new ATOM 0 HG23 THR A 65 11.816 9.192 -9.984 1.00 42.21 H new ATOM 879 N LEU A 66 6.966 7.860 -10.363 1.00 65.21 N ATOM 880 CA LEU A 66 5.547 7.937 -10.693 1.00 4.13 C ATOM 881 C LEU A 66 4.824 8.904 -9.761 1.00 32.34 C ATOM 882 O LEU A 66 3.764 9.430 -10.098 1.00 61.25 O ATOM 883 CB LEU A 66 4.907 6.551 -10.605 1.00 61.42 C ATOM 884 CG LEU A 66 4.506 5.911 -11.935 1.00 41.42 C ATOM 885 CD1 LEU A 66 3.847 4.561 -11.701 1.00 40.01 C ATOM 886 CD2 LEU A 66 3.577 6.833 -12.711 1.00 53.32 C ATOM 0 H LEU A 66 7.169 7.383 -9.485 1.00 65.21 H new ATOM 0 HA LEU A 66 5.456 8.308 -11.714 1.00 4.13 H new ATOM 0 HB2 LEU A 66 5.603 5.883 -10.099 1.00 61.42 H new ATOM 0 HB3 LEU A 66 4.019 6.622 -9.977 1.00 61.42 H new ATOM 0 HG LEU A 66 5.408 5.754 -12.527 1.00 41.42 H new ATOM 0 HD11 LEU A 66 3.569 4.121 -12.659 1.00 40.01 H new ATOM 0 HD12 LEU A 66 4.545 3.900 -11.187 1.00 40.01 H new ATOM 0 HD13 LEU A 66 2.955 4.693 -11.089 1.00 40.01 H new ATOM 0 HD21 LEU A 66 3.302 6.362 -13.655 1.00 53.32 H new ATOM 0 HD22 LEU A 66 2.678 7.022 -12.124 1.00 53.32 H new ATOM 0 HD23 LEU A 66 4.085 7.777 -12.911 1.00 53.32 H new ATOM 898 N GLU A 67 5.405 9.134 -8.587 1.00 63.54 N ATOM 899 CA GLU A 67 4.816 10.038 -7.608 1.00 14.34 C ATOM 900 C GLU A 67 4.821 11.475 -8.122 1.00 14.13 C ATOM 901 O GLU A 67 3.970 12.283 -7.747 1.00 64.31 O ATOM 902 CB GLU A 67 5.576 9.957 -6.282 1.00 61.54 C ATOM 903 CG GLU A 67 4.686 9.659 -5.087 1.00 42.33 C ATOM 904 CD GLU A 67 3.629 10.724 -4.868 1.00 71.01 C ATOM 905 OE1 GLU A 67 3.984 11.921 -4.871 1.00 2.33 O ATOM 906 OE2 GLU A 67 2.447 10.360 -4.694 1.00 2.43 O ATOM 0 H GLU A 67 6.283 8.706 -8.292 1.00 63.54 H new ATOM 0 HA GLU A 67 3.783 9.732 -7.445 1.00 14.34 H new ATOM 0 HB2 GLU A 67 6.340 9.183 -6.357 1.00 61.54 H new ATOM 0 HB3 GLU A 67 6.094 10.901 -6.112 1.00 61.54 H new ATOM 0 HG2 GLU A 67 4.200 8.694 -5.232 1.00 42.33 H new ATOM 0 HG3 GLU A 67 5.302 9.574 -4.192 1.00 42.33 H new ATOM 913 N SER A 68 5.785 11.786 -8.982 1.00 2.34 N ATOM 914 CA SER A 68 5.905 13.126 -9.544 1.00 54.33 C ATOM 915 C SER A 68 4.736 13.430 -10.477 1.00 63.34 C ATOM 916 O SER A 68 4.521 14.578 -10.869 1.00 63.54 O ATOM 917 CB SER A 68 7.227 13.269 -10.301 1.00 34.21 C ATOM 918 OG SER A 68 8.326 13.297 -9.407 1.00 15.04 O ATOM 0 H SER A 68 6.494 11.128 -9.305 1.00 2.34 H new ATOM 0 HA SER A 68 5.887 13.841 -8.721 1.00 54.33 H new ATOM 0 HB2 SER A 68 7.342 12.439 -10.998 1.00 34.21 H new ATOM 0 HB3 SER A 68 7.213 14.184 -10.894 1.00 34.21 H new ATOM 0 HG SER A 68 9.159 13.387 -9.915 1.00 15.04 H new ATOM 924 N LEU A 69 3.984 12.393 -10.830 1.00 22.13 N ATOM 925 CA LEU A 69 2.837 12.547 -11.717 1.00 74.41 C ATOM 926 C LEU A 69 1.537 12.610 -10.921 1.00 21.41 C ATOM 927 O LEU A 69 0.494 12.995 -11.446 1.00 15.20 O ATOM 928 CB LEU A 69 2.781 11.389 -12.716 1.00 14.23 C ATOM 929 CG LEU A 69 3.987 11.245 -13.644 1.00 71.22 C ATOM 930 CD1 LEU A 69 4.412 12.602 -14.182 1.00 2.42 C ATOM 931 CD2 LEU A 69 5.142 10.571 -12.917 1.00 52.34 C ATOM 0 H LEU A 69 4.148 11.437 -10.515 1.00 22.13 H new ATOM 0 HA LEU A 69 2.953 13.484 -12.262 1.00 74.41 H new ATOM 0 HB2 LEU A 69 2.664 10.460 -12.158 1.00 14.23 H new ATOM 0 HB3 LEU A 69 1.888 11.507 -13.329 1.00 14.23 H new ATOM 0 HG LEU A 69 3.699 10.617 -14.487 1.00 71.22 H new ATOM 0 HD11 LEU A 69 5.272 12.479 -14.841 1.00 2.42 H new ATOM 0 HD12 LEU A 69 3.588 13.046 -14.740 1.00 2.42 H new ATOM 0 HD13 LEU A 69 4.681 13.255 -13.352 1.00 2.42 H new ATOM 0 HD21 LEU A 69 5.992 10.477 -13.593 1.00 52.34 H new ATOM 0 HD22 LEU A 69 5.429 11.172 -12.054 1.00 52.34 H new ATOM 0 HD23 LEU A 69 4.833 9.581 -12.582 1.00 52.34 H new ATOM 943 N GLY A 70 1.609 12.230 -9.649 1.00 23.33 N ATOM 944 CA GLY A 70 0.433 12.252 -8.800 1.00 15.42 C ATOM 945 C GLY A 70 -0.298 10.925 -8.786 1.00 75.44 C ATOM 946 O GLY A 70 -1.510 10.872 -8.999 1.00 40.30 O ATOM 0 H GLY A 70 2.462 11.907 -9.191 1.00 23.33 H new ATOM 0 HA2 GLY A 70 0.728 12.511 -7.783 1.00 15.42 H new ATOM 0 HA3 GLY A 70 -0.245 13.033 -9.144 1.00 15.42 H new ATOM 950 N VAL A 71 0.439 9.847 -8.538 1.00 2.15 N ATOM 951 CA VAL A 71 -0.146 8.512 -8.498 1.00 12.40 C ATOM 952 C VAL A 71 -0.576 8.142 -7.083 1.00 0.52 C ATOM 953 O VAL A 71 0.106 8.466 -6.111 1.00 44.43 O ATOM 954 CB VAL A 71 0.842 7.451 -9.017 1.00 32.43 C ATOM 955 CG1 VAL A 71 1.146 7.679 -10.489 1.00 63.34 C ATOM 956 CG2 VAL A 71 2.119 7.464 -8.191 1.00 45.03 C ATOM 0 H VAL A 71 1.443 9.872 -8.362 1.00 2.15 H new ATOM 0 HA VAL A 71 -1.022 8.531 -9.147 1.00 12.40 H new ATOM 0 HB VAL A 71 0.381 6.469 -8.915 1.00 32.43 H new ATOM 0 HG11 VAL A 71 1.846 6.920 -10.838 1.00 63.34 H new ATOM 0 HG12 VAL A 71 0.223 7.614 -11.065 1.00 63.34 H new ATOM 0 HG13 VAL A 71 1.587 8.667 -10.621 1.00 63.34 H new ATOM 0 HG21 VAL A 71 2.806 6.708 -8.571 1.00 45.03 H new ATOM 0 HG22 VAL A 71 2.586 8.446 -8.259 1.00 45.03 H new ATOM 0 HG23 VAL A 71 1.881 7.247 -7.150 1.00 45.03 H new ATOM 966 N ALA A 72 -1.712 7.461 -6.974 1.00 40.33 N ATOM 967 CA ALA A 72 -2.232 7.045 -5.678 1.00 30.30 C ATOM 968 C ALA A 72 -1.992 5.557 -5.443 1.00 15.23 C ATOM 969 O ALA A 72 -2.002 4.761 -6.382 1.00 13.03 O ATOM 970 CB ALA A 72 -3.716 7.365 -5.577 1.00 71.31 C ATOM 0 H ALA A 72 -2.290 7.186 -7.768 1.00 40.33 H new ATOM 0 HA ALA A 72 -1.699 7.599 -4.905 1.00 30.30 H new ATOM 0 HB1 ALA A 72 -4.091 7.049 -4.604 1.00 71.31 H new ATOM 0 HB2 ALA A 72 -3.865 8.439 -5.692 1.00 71.31 H new ATOM 0 HB3 ALA A 72 -4.256 6.837 -6.363 1.00 71.31 H new ATOM 976 N ASP A 73 -1.777 5.189 -4.185 1.00 10.34 N ATOM 977 CA ASP A 73 -1.535 3.797 -3.826 1.00 31.40 C ATOM 978 C ASP A 73 -2.636 2.895 -4.376 1.00 20.24 C ATOM 979 O ASP A 73 -3.822 3.189 -4.234 1.00 10.03 O ATOM 980 CB ASP A 73 -1.447 3.647 -2.306 1.00 72.14 C ATOM 981 CG ASP A 73 -2.800 3.771 -1.633 1.00 41.12 C ATOM 982 OD1 ASP A 73 -3.539 2.766 -1.598 1.00 73.52 O ATOM 983 OD2 ASP A 73 -3.120 4.874 -1.142 1.00 44.10 O ATOM 0 H ASP A 73 -1.765 5.836 -3.396 1.00 10.34 H new ATOM 0 HA ASP A 73 -0.586 3.493 -4.268 1.00 31.40 H new ATOM 0 HB2 ASP A 73 -1.012 2.677 -2.064 1.00 72.14 H new ATOM 0 HB3 ASP A 73 -0.775 4.407 -1.907 1.00 72.14 H new ATOM 988 N GLY A 74 -2.234 1.795 -5.005 1.00 61.31 N ATOM 989 CA GLY A 74 -3.198 0.868 -5.568 1.00 33.43 C ATOM 990 C GLY A 74 -3.295 0.976 -7.077 1.00 0.35 C ATOM 991 O GLY A 74 -4.348 0.716 -7.658 1.00 73.12 O ATOM 0 H GLY A 74 -1.258 1.529 -5.135 1.00 61.31 H new ATOM 0 HA2 GLY A 74 -2.919 -0.150 -5.297 1.00 33.43 H new ATOM 0 HA3 GLY A 74 -4.178 1.057 -5.130 1.00 33.43 H new ATOM 995 N ASP A 75 -2.194 1.363 -7.712 1.00 14.42 N ATOM 996 CA ASP A 75 -2.159 1.507 -9.163 1.00 35.14 C ATOM 997 C ASP A 75 -2.304 0.151 -9.846 1.00 60.14 C ATOM 998 O ASP A 75 -1.999 -0.888 -9.260 1.00 73.01 O ATOM 999 CB ASP A 75 -0.855 2.176 -9.599 1.00 71.31 C ATOM 1000 CG ASP A 75 -0.807 3.645 -9.231 1.00 5.53 C ATOM 1001 OD1 ASP A 75 -1.885 4.267 -9.123 1.00 61.53 O ATOM 1002 OD2 ASP A 75 0.310 4.175 -9.049 1.00 33.41 O ATOM 0 H ASP A 75 -1.314 1.583 -7.245 1.00 14.42 H new ATOM 0 HA ASP A 75 -2.998 2.136 -9.462 1.00 35.14 H new ATOM 0 HB2 ASP A 75 -0.013 1.661 -9.136 1.00 71.31 H new ATOM 0 HB3 ASP A 75 -0.739 2.071 -10.678 1.00 71.31 H new ATOM 1007 N LYS A 76 -2.772 0.168 -11.090 1.00 23.11 N ATOM 1008 CA LYS A 76 -2.957 -1.059 -11.855 1.00 71.30 C ATOM 1009 C LYS A 76 -2.682 -0.824 -13.337 1.00 11.53 C ATOM 1010 O LYS A 76 -3.222 0.105 -13.938 1.00 42.24 O ATOM 1011 CB LYS A 76 -4.380 -1.591 -11.668 1.00 22.41 C ATOM 1012 CG LYS A 76 -5.458 -0.576 -12.006 1.00 31.51 C ATOM 1013 CD LYS A 76 -6.799 -0.967 -11.407 1.00 60.24 C ATOM 1014 CE LYS A 76 -7.938 -0.166 -12.020 1.00 64.54 C ATOM 1015 NZ LYS A 76 -8.176 -0.541 -13.442 1.00 13.31 N ATOM 0 H LYS A 76 -3.030 1.019 -11.590 1.00 23.11 H new ATOM 0 HA LYS A 76 -2.247 -1.798 -11.485 1.00 71.30 H new ATOM 0 HB2 LYS A 76 -4.514 -2.473 -12.294 1.00 22.41 H new ATOM 0 HB3 LYS A 76 -4.506 -1.912 -10.634 1.00 22.41 H new ATOM 0 HG2 LYS A 76 -5.164 0.406 -11.634 1.00 31.51 H new ATOM 0 HG3 LYS A 76 -5.553 -0.491 -13.089 1.00 31.51 H new ATOM 0 HD2 LYS A 76 -6.974 -2.031 -11.567 1.00 60.24 H new ATOM 0 HD3 LYS A 76 -6.778 -0.806 -10.329 1.00 60.24 H new ATOM 0 HE2 LYS A 76 -8.849 -0.330 -11.444 1.00 64.54 H new ATOM 0 HE3 LYS A 76 -7.709 0.898 -11.958 1.00 64.54 H new ATOM 0 HZ1 LYS A 76 -9.121 -0.218 -13.733 1.00 13.31 H new ATOM 0 HZ2 LYS A 76 -7.456 -0.093 -14.044 1.00 13.31 H new ATOM 0 HZ3 LYS A 76 -8.117 -1.574 -13.543 1.00 13.31 H new ATOM 1029 N PHE A 77 -1.841 -1.671 -13.920 1.00 4.22 N ATOM 1030 CA PHE A 77 -1.495 -1.555 -15.332 1.00 3.43 C ATOM 1031 C PHE A 77 -1.827 -2.842 -16.081 1.00 1.22 C ATOM 1032 O PHE A 77 -1.806 -3.931 -15.507 1.00 2.32 O ATOM 1033 CB PHE A 77 -0.008 -1.229 -15.489 1.00 40.22 C ATOM 1034 CG PHE A 77 0.900 -2.288 -14.934 1.00 20.44 C ATOM 1035 CD1 PHE A 77 1.256 -2.282 -13.594 1.00 74.35 C ATOM 1036 CD2 PHE A 77 1.398 -3.290 -15.751 1.00 25.33 C ATOM 1037 CE1 PHE A 77 2.091 -3.256 -13.080 1.00 33.21 C ATOM 1038 CE2 PHE A 77 2.233 -4.267 -15.242 1.00 5.13 C ATOM 1039 CZ PHE A 77 2.581 -4.249 -13.905 1.00 21.20 C ATOM 0 H PHE A 77 -1.386 -2.446 -13.437 1.00 4.22 H new ATOM 0 HA PHE A 77 -2.085 -0.744 -15.760 1.00 3.43 H new ATOM 0 HB2 PHE A 77 0.215 -1.088 -16.547 1.00 40.22 H new ATOM 0 HB3 PHE A 77 0.203 -0.283 -14.990 1.00 40.22 H new ATOM 0 HD1 PHE A 77 0.876 -1.507 -12.944 1.00 74.35 H new ATOM 0 HD2 PHE A 77 1.131 -3.308 -16.797 1.00 25.33 H new ATOM 0 HE1 PHE A 77 2.360 -3.240 -12.034 1.00 33.21 H new ATOM 0 HE2 PHE A 77 2.613 -5.044 -15.889 1.00 5.13 H new ATOM 0 HZ PHE A 77 3.235 -5.010 -13.506 1.00 21.20 H new ATOM 1049 N VAL A 78 -2.134 -2.708 -17.367 1.00 74.31 N ATOM 1050 CA VAL A 78 -2.471 -3.860 -18.196 1.00 42.52 C ATOM 1051 C VAL A 78 -1.280 -4.293 -19.044 1.00 31.23 C ATOM 1052 O VAL A 78 -0.682 -3.484 -19.754 1.00 2.01 O ATOM 1053 CB VAL A 78 -3.663 -3.555 -19.123 1.00 3.41 C ATOM 1054 CG1 VAL A 78 -4.017 -4.776 -19.957 1.00 31.31 C ATOM 1055 CG2 VAL A 78 -4.861 -3.086 -18.312 1.00 35.41 C ATOM 0 H VAL A 78 -2.156 -1.814 -17.858 1.00 74.31 H new ATOM 0 HA VAL A 78 -2.745 -4.669 -17.518 1.00 42.52 H new ATOM 0 HB VAL A 78 -3.377 -2.752 -19.803 1.00 3.41 H new ATOM 0 HG11 VAL A 78 -4.861 -4.541 -20.605 1.00 31.31 H new ATOM 0 HG12 VAL A 78 -3.160 -5.061 -20.566 1.00 31.31 H new ATOM 0 HG13 VAL A 78 -4.284 -5.602 -19.298 1.00 31.31 H new ATOM 0 HG21 VAL A 78 -5.694 -2.875 -18.982 1.00 35.41 H new ATOM 0 HG22 VAL A 78 -5.151 -3.865 -17.607 1.00 35.41 H new ATOM 0 HG23 VAL A 78 -4.598 -2.181 -17.764 1.00 35.41 H new ATOM 1065 N LEU A 79 -0.941 -5.575 -18.965 1.00 61.21 N ATOM 1066 CA LEU A 79 0.179 -6.118 -19.726 1.00 22.22 C ATOM 1067 C LEU A 79 -0.316 -6.951 -20.904 1.00 24.42 C ATOM 1068 O LEU A 79 -1.196 -7.798 -20.751 1.00 72.40 O ATOM 1069 CB LEU A 79 1.070 -6.972 -18.821 1.00 53.21 C ATOM 1070 CG LEU A 79 2.486 -7.238 -19.332 1.00 3.24 C ATOM 1071 CD1 LEU A 79 3.425 -6.118 -18.910 1.00 54.32 C ATOM 1072 CD2 LEU A 79 2.993 -8.580 -18.824 1.00 11.14 C ATOM 0 H LEU A 79 -1.425 -6.258 -18.382 1.00 61.21 H new ATOM 0 HA LEU A 79 0.761 -5.283 -20.115 1.00 22.22 H new ATOM 0 HB2 LEU A 79 1.142 -6.483 -17.849 1.00 53.21 H new ATOM 0 HB3 LEU A 79 0.577 -7.931 -18.660 1.00 53.21 H new ATOM 0 HG LEU A 79 2.458 -7.271 -20.421 1.00 3.24 H new ATOM 0 HD11 LEU A 79 4.428 -6.325 -19.283 1.00 54.32 H new ATOM 0 HD12 LEU A 79 3.072 -5.173 -19.322 1.00 54.32 H new ATOM 0 HD13 LEU A 79 3.448 -6.053 -17.822 1.00 54.32 H new ATOM 0 HD21 LEU A 79 4.002 -8.753 -19.198 1.00 11.14 H new ATOM 0 HD22 LEU A 79 3.005 -8.575 -17.734 1.00 11.14 H new ATOM 0 HD23 LEU A 79 2.335 -9.374 -19.176 1.00 11.14 H new ATOM 1084 N ILE A 80 0.258 -6.706 -22.077 1.00 73.42 N ATOM 1085 CA ILE A 80 -0.123 -7.436 -23.280 1.00 70.50 C ATOM 1086 C ILE A 80 0.948 -8.449 -23.671 1.00 2.03 C ATOM 1087 O ILE A 80 2.140 -8.222 -23.461 1.00 2.43 O ATOM 1088 CB ILE A 80 -0.368 -6.482 -24.464 1.00 23.31 C ATOM 1089 CG1 ILE A 80 -1.280 -5.330 -24.039 1.00 32.25 C ATOM 1090 CG2 ILE A 80 -0.972 -7.238 -25.637 1.00 73.55 C ATOM 1091 CD1 ILE A 80 -0.534 -4.052 -23.725 1.00 61.32 C ATOM 0 H ILE A 80 0.988 -6.008 -22.220 1.00 73.42 H new ATOM 0 HA ILE A 80 -1.050 -7.961 -23.050 1.00 70.50 H new ATOM 0 HB ILE A 80 0.589 -6.065 -24.780 1.00 23.31 H new ATOM 0 HG12 ILE A 80 -2.000 -5.135 -24.834 1.00 32.25 H new ATOM 0 HG13 ILE A 80 -1.850 -5.634 -23.161 1.00 32.25 H new ATOM 0 HG21 ILE A 80 -1.139 -6.550 -26.466 1.00 73.55 H new ATOM 0 HG22 ILE A 80 -0.289 -8.027 -25.952 1.00 73.55 H new ATOM 0 HG23 ILE A 80 -1.922 -7.680 -25.335 1.00 73.55 H new ATOM 0 HD11 ILE A 80 -1.244 -3.279 -23.431 1.00 61.32 H new ATOM 0 HD12 ILE A 80 0.166 -4.231 -22.909 1.00 61.32 H new ATOM 0 HD13 ILE A 80 0.014 -3.724 -24.608 1.00 61.32 H new ATOM 1103 N THR A 81 0.516 -9.569 -24.243 1.00 1.34 N ATOM 1104 CA THR A 81 1.437 -10.617 -24.664 1.00 3.51 C ATOM 1105 C THR A 81 1.248 -10.955 -26.138 1.00 33.30 C ATOM 1106 O THR A 81 0.120 -11.046 -26.624 1.00 1.23 O ATOM 1107 CB THR A 81 1.253 -11.896 -23.827 1.00 30.41 C ATOM 1108 OG1 THR A 81 2.310 -12.821 -24.107 1.00 31.14 O ATOM 1109 CG2 THR A 81 -0.089 -12.548 -24.123 1.00 34.10 C ATOM 0 H THR A 81 -0.467 -9.773 -24.425 1.00 1.34 H new ATOM 0 HA THR A 81 2.445 -10.233 -24.509 1.00 3.51 H new ATOM 0 HB THR A 81 1.281 -11.621 -22.773 1.00 30.41 H new ATOM 0 HG1 THR A 81 2.187 -13.631 -23.569 1.00 31.14 H new ATOM 0 HG21 THR A 81 -0.196 -13.450 -23.520 1.00 34.10 H new ATOM 0 HG22 THR A 81 -0.893 -11.852 -23.882 1.00 34.10 H new ATOM 0 HG23 THR A 81 -0.141 -12.810 -25.180 1.00 34.10 H new ATOM 1117 N ARG A 82 2.357 -11.142 -26.845 1.00 24.21 N ATOM 1118 CA ARG A 82 2.313 -11.471 -28.265 1.00 13.24 C ATOM 1119 C ARG A 82 3.049 -12.778 -28.544 1.00 11.14 C ATOM 1120 O ARG A 82 4.114 -13.036 -27.981 1.00 74.41 O ATOM 1121 CB ARG A 82 2.928 -10.340 -29.091 1.00 71.12 C ATOM 1122 CG ARG A 82 2.562 -10.395 -30.566 1.00 25.05 C ATOM 1123 CD ARG A 82 3.756 -10.064 -31.448 1.00 12.41 C ATOM 1124 NE ARG A 82 3.404 -9.132 -32.516 1.00 64.15 N ATOM 1125 CZ ARG A 82 3.080 -7.861 -32.306 1.00 70.34 C ATOM 1126 NH1 ARG A 82 3.063 -7.373 -31.074 1.00 32.02 N ATOM 1127 NH2 ARG A 82 2.772 -7.076 -33.331 1.00 3.24 N ATOM 0 H ARG A 82 3.298 -11.071 -26.458 1.00 24.21 H new ATOM 0 HA ARG A 82 1.269 -11.595 -28.551 1.00 13.24 H new ATOM 0 HB2 ARG A 82 2.604 -9.384 -28.680 1.00 71.12 H new ATOM 0 HB3 ARG A 82 4.013 -10.378 -28.993 1.00 71.12 H new ATOM 0 HG2 ARG A 82 2.190 -11.389 -30.813 1.00 25.05 H new ATOM 0 HG3 ARG A 82 1.753 -9.693 -30.768 1.00 25.05 H new ATOM 0 HD2 ARG A 82 4.550 -9.633 -30.838 1.00 12.41 H new ATOM 0 HD3 ARG A 82 4.151 -10.982 -31.883 1.00 12.41 H new ATOM 0 HE ARG A 82 3.407 -9.476 -33.476 1.00 64.15 H new ATOM 0 HH11 ARG A 82 3.299 -7.974 -30.284 1.00 32.02 H new ATOM 0 HH12 ARG A 82 2.814 -6.397 -30.916 1.00 32.02 H new ATOM 0 HH21 ARG A 82 2.784 -7.449 -34.280 1.00 3.24 H new ATOM 0 HH22 ARG A 82 2.523 -6.100 -33.169 1.00 3.24 H new ATOM 1141 N THR A 83 2.474 -13.600 -29.416 1.00 22.42 N ATOM 1142 CA THR A 83 3.074 -14.881 -29.768 1.00 40.04 C ATOM 1143 C THR A 83 4.413 -14.686 -30.471 1.00 75.34 C ATOM 1144 O THR A 83 4.572 -13.776 -31.284 1.00 54.53 O ATOM 1145 CB THR A 83 2.144 -15.705 -30.679 1.00 21.34 C ATOM 1146 OG1 THR A 83 2.047 -15.088 -31.967 1.00 71.31 O ATOM 1147 CG2 THR A 83 0.758 -15.830 -30.065 1.00 31.53 C ATOM 0 H THR A 83 1.594 -13.402 -29.891 1.00 22.42 H new ATOM 0 HA THR A 83 3.232 -15.423 -28.836 1.00 40.04 H new ATOM 0 HB THR A 83 2.568 -16.703 -30.787 1.00 21.34 H new ATOM 0 HG1 THR A 83 1.456 -15.619 -32.540 1.00 71.31 H new ATOM 0 HG21 THR A 83 0.119 -16.416 -30.726 1.00 31.53 H new ATOM 0 HG22 THR A 83 0.832 -16.327 -29.098 1.00 31.53 H new ATOM 0 HG23 THR A 83 0.329 -14.837 -29.931 1.00 31.53 H new ATOM 1155 N VAL A 84 5.373 -15.548 -30.154 1.00 24.21 N ATOM 1156 CA VAL A 84 6.699 -15.472 -30.757 1.00 13.10 C ATOM 1157 C VAL A 84 6.681 -15.992 -32.190 1.00 22.32 C ATOM 1158 O VAL A 84 6.386 -17.161 -32.433 1.00 71.53 O ATOM 1159 CB VAL A 84 7.732 -16.274 -29.944 1.00 3.42 C ATOM 1160 CG1 VAL A 84 9.128 -16.084 -30.519 1.00 13.12 C ATOM 1161 CG2 VAL A 84 7.690 -15.865 -28.479 1.00 62.11 C ATOM 0 H VAL A 84 5.258 -16.308 -29.483 1.00 24.21 H new ATOM 0 HA VAL A 84 6.987 -14.421 -30.759 1.00 13.10 H new ATOM 0 HB VAL A 84 7.479 -17.332 -30.010 1.00 3.42 H new ATOM 0 HG11 VAL A 84 9.845 -16.658 -29.932 1.00 13.12 H new ATOM 0 HG12 VAL A 84 9.146 -16.430 -31.553 1.00 13.12 H new ATOM 0 HG13 VAL A 84 9.395 -15.028 -30.485 1.00 13.12 H new ATOM 0 HG21 VAL A 84 8.426 -16.442 -27.919 1.00 62.11 H new ATOM 0 HG22 VAL A 84 7.918 -14.803 -28.391 1.00 62.11 H new ATOM 0 HG23 VAL A 84 6.696 -16.057 -28.076 1.00 62.11 H new ATOM 1171 N GLY A 85 7.001 -15.115 -33.136 1.00 54.25 N ATOM 1172 CA GLY A 85 7.016 -15.504 -34.534 1.00 60.43 C ATOM 1173 C GLY A 85 8.182 -16.412 -34.870 1.00 64.44 C ATOM 1174 O GLY A 85 9.138 -15.991 -35.523 1.00 35.24 O ATOM 0 H GLY A 85 7.250 -14.142 -32.959 1.00 54.25 H new ATOM 0 HA2 GLY A 85 6.082 -16.012 -34.777 1.00 60.43 H new ATOM 0 HA3 GLY A 85 7.064 -14.610 -35.156 1.00 60.43 H new TER 1178 GLY A 85