USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 18 MET CE :methyl 143:sc= -0.191 (180deg=0) USER MOD Set 1.2: A 82 MET CE :methyl -133:sc= -4.28! (180deg=-5.51!) USER MOD Set 1.3: A 86 MET CE :methyl -163:sc= -5.62! (180deg=-7.67!) USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0.361 USER MOD Set 2.2: A 39 THR OG1 : rot -170:sc= 0.0307 USER MOD Set 2.3: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.3) USER MOD Single : A 7 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -170:sc= -0.294 (180deg=-0.451) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 69:sc= 0.795 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 139:sc= -8.47! (180deg=-12!) USER MOD Single : A 51 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) USER MOD Single : A 52 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -132:sc= 1.2 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -148:sc= -0.0635 (180deg=-0.938) USER MOD Single : A 85 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.3!) USER MOD Single : A 87 LYS NZ :NH3+ 141:sc= -1.02 (180deg=-2.45) USER MOD Single : B 117 SER OG : rot 63:sc= 1.15 USER MOD Single : B 121 MET CE :methyl 148:sc= -4.22! (180deg=-5.58!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.275 2.766 -0.953 1.00 0.68 N ATOM 68 CA GLN A 6 -13.327 2.867 0.151 1.00 0.60 C ATOM 69 C GLN A 6 -11.953 3.296 -0.353 1.00 0.57 C ATOM 70 O GLN A 6 -11.202 3.964 0.357 1.00 0.59 O ATOM 71 CB GLN A 6 -13.219 1.527 0.883 1.00 0.64 C ATOM 72 CG GLN A 6 -12.646 0.409 0.027 1.00 0.68 C ATOM 73 CD GLN A 6 -12.650 -0.930 0.739 1.00 0.96 C ATOM 74 OE1 GLN A 6 -13.488 -1.184 1.604 1.00 1.52 O ATOM 75 NE2 GLN A 6 -11.711 -1.797 0.376 1.00 1.62 N ATOM 0 HA GLN A 6 -13.694 3.623 0.845 1.00 0.60 H new ATOM 0 HB2 GLN A 6 -12.593 1.655 1.766 1.00 0.64 H new ATOM 0 HB3 GLN A 6 -14.208 1.234 1.234 1.00 0.64 H new ATOM 0 HG2 GLN A 6 -13.224 0.329 -0.894 1.00 0.68 H new ATOM 0 HG3 GLN A 6 -11.625 0.662 -0.258 1.00 0.68 H new ATOM 0 HE21 GLN A 6 -11.036 -1.545 -0.346 1.00 1.62 H new ATOM 0 HE22 GLN A 6 -11.665 -2.715 0.819 1.00 1.62 H new ATOM 84 N GLN A 7 -11.633 2.908 -1.583 1.00 0.60 N ATOM 85 CA GLN A 7 -10.349 3.252 -2.184 1.00 0.61 C ATOM 86 C GLN A 7 -10.261 4.752 -2.456 1.00 0.63 C ATOM 87 O GLN A 7 -9.176 5.332 -2.445 1.00 0.67 O ATOM 88 CB GLN A 7 -10.146 2.474 -3.485 1.00 0.68 C ATOM 89 CG GLN A 7 -10.456 0.990 -3.362 1.00 1.16 C ATOM 90 CD GLN A 7 -11.216 0.451 -4.558 1.00 1.44 C ATOM 91 OE1 GLN A 7 -11.710 1.212 -5.390 1.00 2.07 O ATOM 92 NE2 GLN A 7 -11.315 -0.871 -4.649 1.00 1.76 N ATOM 0 H GLN A 7 -12.245 2.355 -2.183 1.00 0.60 H new ATOM 0 HA GLN A 7 -9.562 2.981 -1.480 1.00 0.61 H new ATOM 0 HB2 GLN A 7 -10.780 2.906 -4.259 1.00 0.68 H new ATOM 0 HB3 GLN A 7 -9.114 2.595 -3.814 1.00 0.68 H new ATOM 0 HG2 GLN A 7 -9.524 0.436 -3.249 1.00 1.16 H new ATOM 0 HG3 GLN A 7 -11.040 0.819 -2.458 1.00 1.16 H new ATOM 0 HE21 GLN A 7 -10.890 -1.464 -3.937 1.00 1.76 H new ATOM 0 HE22 GLN A 7 -11.816 -1.292 -5.431 1.00 1.76 H new ATOM 101 N ALA A 8 -11.412 5.373 -2.699 1.00 0.66 N ATOM 102 CA ALA A 8 -11.464 6.805 -2.973 1.00 0.72 C ATOM 103 C ALA A 8 -11.258 7.615 -1.697 1.00 0.69 C ATOM 104 O ALA A 8 -10.421 8.516 -1.651 1.00 0.71 O ATOM 105 CB ALA A 8 -12.790 7.169 -3.623 1.00 0.80 C ATOM 0 H ALA A 8 -12.320 4.908 -2.712 1.00 0.66 H new ATOM 0 HA ALA A 8 -10.655 7.049 -3.662 1.00 0.72 H new ATOM 0 HB1 ALA A 8 -12.816 8.240 -3.822 1.00 0.80 H new ATOM 0 HB2 ALA A 8 -12.898 6.623 -4.560 1.00 0.80 H new ATOM 0 HB3 ALA A 8 -13.608 6.905 -2.953 1.00 0.80 H new ATOM 111 N GLU A 9 -12.026 7.286 -0.664 1.00 0.67 N ATOM 112 CA GLU A 9 -11.926 7.982 0.614 1.00 0.67 C ATOM 113 C GLU A 9 -10.519 7.859 1.190 1.00 0.63 C ATOM 114 O GLU A 9 -10.056 8.738 1.918 1.00 0.66 O ATOM 115 CB GLU A 9 -12.946 7.420 1.607 1.00 0.67 C ATOM 116 CG GLU A 9 -14.340 7.260 1.020 1.00 0.72 C ATOM 117 CD GLU A 9 -15.433 7.501 2.042 1.00 1.10 C ATOM 118 OE1 GLU A 9 -15.609 6.647 2.937 1.00 1.70 O ATOM 119 OE2 GLU A 9 -16.113 8.545 1.949 1.00 1.72 O ATOM 0 H GLU A 9 -12.724 6.543 -0.686 1.00 0.67 H new ATOM 0 HA GLU A 9 -12.140 9.037 0.443 1.00 0.67 H new ATOM 0 HB2 GLU A 9 -12.597 6.451 1.964 1.00 0.67 H new ATOM 0 HB3 GLU A 9 -12.999 8.079 2.474 1.00 0.67 H new ATOM 0 HG2 GLU A 9 -14.463 7.956 0.190 1.00 0.72 H new ATOM 0 HG3 GLU A 9 -14.445 6.255 0.611 1.00 0.72 H new ATOM 126 N ALA A 10 -9.843 6.764 0.858 1.00 0.57 N ATOM 127 CA ALA A 10 -8.487 6.524 1.339 1.00 0.54 C ATOM 128 C ALA A 10 -7.561 7.680 0.974 1.00 0.58 C ATOM 129 O ALA A 10 -6.856 8.217 1.828 1.00 0.61 O ATOM 130 CB ALA A 10 -7.954 5.218 0.770 1.00 0.50 C ATOM 0 H ALA A 10 -10.213 6.028 0.257 1.00 0.57 H new ATOM 0 HA ALA A 10 -8.519 6.451 2.426 1.00 0.54 H new ATOM 0 HB1 ALA A 10 -6.941 5.048 1.135 1.00 0.50 H new ATOM 0 HB2 ALA A 10 -8.596 4.395 1.085 1.00 0.50 H new ATOM 0 HB3 ALA A 10 -7.943 5.273 -0.319 1.00 0.50 H new ATOM 136 N ARG A 11 -7.569 8.057 -0.300 1.00 0.61 N ATOM 137 CA ARG A 11 -6.732 9.150 -0.780 1.00 0.67 C ATOM 138 C ARG A 11 -7.053 10.447 -0.043 1.00 0.74 C ATOM 139 O ARG A 11 -6.186 11.301 0.139 1.00 0.79 O ATOM 140 CB ARG A 11 -6.923 9.342 -2.287 1.00 0.72 C ATOM 141 CG ARG A 11 -5.669 9.064 -3.100 1.00 0.85 C ATOM 142 CD ARG A 11 -5.926 9.220 -4.590 1.00 0.89 C ATOM 143 NE ARG A 11 -6.030 10.623 -4.985 1.00 1.24 N ATOM 144 CZ ARG A 11 -5.912 11.051 -6.240 1.00 1.58 C ATOM 145 NH1 ARG A 11 -5.686 10.190 -7.223 1.00 2.02 N ATOM 146 NH2 ARG A 11 -6.021 12.345 -6.511 1.00 2.07 N ATOM 0 H ARG A 11 -8.146 7.621 -1.019 1.00 0.61 H new ATOM 0 HA ARG A 11 -5.692 8.892 -0.583 1.00 0.67 H new ATOM 0 HB2 ARG A 11 -7.722 8.684 -2.630 1.00 0.72 H new ATOM 0 HB3 ARG A 11 -7.249 10.365 -2.476 1.00 0.72 H new ATOM 0 HG2 ARG A 11 -4.876 9.746 -2.793 1.00 0.85 H new ATOM 0 HG3 ARG A 11 -5.317 8.053 -2.894 1.00 0.85 H new ATOM 0 HD2 ARG A 11 -5.119 8.745 -5.148 1.00 0.89 H new ATOM 0 HD3 ARG A 11 -6.846 8.700 -4.855 1.00 0.89 H new ATOM 0 HE ARG A 11 -6.203 11.315 -4.256 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -5.602 9.194 -7.019 1.00 2.02 H new ATOM 0 HH12 ARG A 11 -5.597 10.524 -8.183 1.00 2.02 H new ATOM 0 HH21 ARG A 11 -6.195 13.011 -5.758 1.00 2.07 H new ATOM 0 HH22 ARG A 11 -5.931 12.674 -7.472 1.00 2.07 H new ATOM 160 N ALA A 12 -8.307 10.587 0.378 1.00 0.74 N ATOM 161 CA ALA A 12 -8.742 11.780 1.094 1.00 0.81 C ATOM 162 C ALA A 12 -8.460 11.659 2.588 1.00 0.79 C ATOM 163 O ALA A 12 -8.227 12.658 3.268 1.00 0.86 O ATOM 164 CB ALA A 12 -10.224 12.026 0.854 1.00 0.85 C ATOM 0 H ALA A 12 -9.038 9.890 0.236 1.00 0.74 H new ATOM 0 HA ALA A 12 -8.175 12.629 0.712 1.00 0.81 H new ATOM 0 HB1 ALA A 12 -10.537 12.920 1.394 1.00 0.85 H new ATOM 0 HB2 ALA A 12 -10.402 12.166 -0.212 1.00 0.85 H new ATOM 0 HB3 ALA A 12 -10.797 11.169 1.208 1.00 0.85 H new ATOM 170 N PHE A 13 -8.481 10.430 3.094 1.00 0.71 N ATOM 171 CA PHE A 13 -8.228 10.182 4.508 1.00 0.71 C ATOM 172 C PHE A 13 -6.768 10.459 4.857 1.00 0.71 C ATOM 173 O PHE A 13 -6.453 10.862 5.976 1.00 0.79 O ATOM 174 CB PHE A 13 -8.590 8.739 4.868 1.00 0.65 C ATOM 175 CG PHE A 13 -9.918 8.608 5.558 1.00 0.94 C ATOM 176 CD1 PHE A 13 -10.128 9.188 6.800 1.00 1.64 C ATOM 177 CD2 PHE A 13 -10.957 7.908 4.966 1.00 1.71 C ATOM 178 CE1 PHE A 13 -11.349 9.070 7.438 1.00 2.04 C ATOM 179 CE2 PHE A 13 -12.179 7.787 5.599 1.00 2.18 C ATOM 180 CZ PHE A 13 -12.376 8.368 6.836 1.00 2.05 C ATOM 0 H PHE A 13 -8.671 9.591 2.546 1.00 0.71 H new ATOM 0 HA PHE A 13 -8.854 10.860 5.088 1.00 0.71 H new ATOM 0 HB2 PHE A 13 -8.601 8.138 3.959 1.00 0.65 H new ATOM 0 HB3 PHE A 13 -7.813 8.328 5.512 1.00 0.65 H new ATOM 0 HD1 PHE A 13 -9.329 9.738 7.274 1.00 1.64 H new ATOM 0 HD2 PHE A 13 -10.810 7.452 3.998 1.00 1.71 H new ATOM 0 HE1 PHE A 13 -11.500 9.526 8.405 1.00 2.04 H new ATOM 0 HE2 PHE A 13 -12.980 7.238 5.126 1.00 2.18 H new ATOM 0 HZ PHE A 13 -13.331 8.274 7.332 1.00 2.05 H new ATOM 190 N LEU A 14 -5.882 10.241 3.890 1.00 0.69 N ATOM 191 CA LEU A 14 -4.456 10.470 4.097 1.00 0.72 C ATOM 192 C LEU A 14 -4.042 11.836 3.559 1.00 0.79 C ATOM 193 O LEU A 14 -4.644 12.353 2.619 1.00 0.85 O ATOM 194 CB LEU A 14 -3.635 9.372 3.416 1.00 0.69 C ATOM 195 CG LEU A 14 -3.999 7.943 3.821 1.00 0.60 C ATOM 196 CD1 LEU A 14 -3.349 6.941 2.882 1.00 0.74 C ATOM 197 CD2 LEU A 14 -3.584 7.675 5.260 1.00 0.69 C ATOM 0 H LEU A 14 -6.125 9.907 2.958 1.00 0.69 H new ATOM 0 HA LEU A 14 -4.262 10.446 5.169 1.00 0.72 H new ATOM 0 HB2 LEU A 14 -3.753 9.468 2.337 1.00 0.69 H new ATOM 0 HB3 LEU A 14 -2.581 9.538 3.637 1.00 0.69 H new ATOM 0 HG LEU A 14 -5.081 7.829 3.748 1.00 0.60 H new ATOM 0 HD11 LEU A 14 -3.619 5.930 3.186 1.00 0.74 H new ATOM 0 HD12 LEU A 14 -3.695 7.119 1.864 1.00 0.74 H new ATOM 0 HD13 LEU A 14 -2.266 7.055 2.922 1.00 0.74 H new ATOM 0 HD21 LEU A 14 -3.851 6.654 5.531 1.00 0.69 H new ATOM 0 HD22 LEU A 14 -2.507 7.807 5.359 1.00 0.69 H new ATOM 0 HD23 LEU A 14 -4.097 8.372 5.922 1.00 0.69 H new ATOM 209 N SER A 15 -3.011 12.416 4.164 1.00 0.82 N ATOM 210 CA SER A 15 -2.515 13.723 3.745 1.00 0.90 C ATOM 211 C SER A 15 -1.716 13.611 2.450 1.00 0.91 C ATOM 212 O SER A 15 -1.315 12.518 2.050 1.00 0.87 O ATOM 213 CB SER A 15 -1.648 14.339 4.845 1.00 0.97 C ATOM 214 OG SER A 15 -2.112 15.631 5.197 1.00 1.60 O ATOM 0 H SER A 15 -2.503 12.003 4.946 1.00 0.82 H new ATOM 0 HA SER A 15 -3.373 14.371 3.565 1.00 0.90 H new ATOM 0 HB2 SER A 15 -1.657 13.694 5.724 1.00 0.97 H new ATOM 0 HB3 SER A 15 -0.614 14.401 4.506 1.00 0.97 H new ATOM 0 HG SER A 15 -1.542 16.002 5.903 1.00 1.60 H new ATOM 220 N GLU A 16 -1.487 14.747 1.801 1.00 0.96 N ATOM 221 CA GLU A 16 -0.734 14.776 0.553 1.00 0.98 C ATOM 222 C GLU A 16 0.661 14.189 0.748 1.00 0.99 C ATOM 223 O GLU A 16 1.239 13.614 -0.174 1.00 0.99 O ATOM 224 CB GLU A 16 -0.631 16.210 0.027 1.00 1.06 C ATOM 225 CG GLU A 16 -1.512 16.479 -1.183 1.00 1.16 C ATOM 226 CD GLU A 16 -1.338 17.882 -1.730 1.00 1.98 C ATOM 227 OE1 GLU A 16 -0.304 18.514 -1.426 1.00 2.67 O ATOM 228 OE2 GLU A 16 -2.235 18.349 -2.464 1.00 2.67 O ATOM 0 H GLU A 16 -1.812 15.660 2.119 1.00 0.96 H new ATOM 0 HA GLU A 16 -1.265 14.168 -0.179 1.00 0.98 H new ATOM 0 HB2 GLU A 16 -0.903 16.901 0.825 1.00 1.06 H new ATOM 0 HB3 GLU A 16 0.406 16.418 -0.236 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -1.279 15.757 -1.965 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -2.556 16.327 -0.909 1.00 1.16 H new ATOM 235 N GLU A 17 1.194 14.334 1.957 1.00 1.00 N ATOM 236 CA GLU A 17 2.518 13.816 2.276 1.00 1.02 C ATOM 237 C GLU A 17 2.570 12.304 2.084 1.00 0.96 C ATOM 238 O GLU A 17 3.569 11.761 1.613 1.00 1.01 O ATOM 239 CB GLU A 17 2.895 14.175 3.717 1.00 1.05 C ATOM 240 CG GLU A 17 4.072 15.132 3.816 1.00 1.26 C ATOM 241 CD GLU A 17 3.699 16.453 4.462 1.00 1.74 C ATOM 242 OE1 GLU A 17 2.922 17.215 3.849 1.00 2.48 O ATOM 243 OE2 GLU A 17 4.183 16.725 5.580 1.00 2.26 O ATOM 0 H GLU A 17 0.728 14.806 2.732 1.00 1.00 H new ATOM 0 HA GLU A 17 3.236 14.275 1.596 1.00 1.02 H new ATOM 0 HB2 GLU A 17 2.031 14.622 4.209 1.00 1.05 H new ATOM 0 HB3 GLU A 17 3.134 13.261 4.260 1.00 1.05 H new ATOM 0 HG2 GLU A 17 4.869 14.663 4.392 1.00 1.26 H new ATOM 0 HG3 GLU A 17 4.468 15.319 2.818 1.00 1.26 H new ATOM 250 N MET A 18 1.485 11.630 2.453 1.00 0.86 N ATOM 251 CA MET A 18 1.405 10.180 2.322 1.00 0.80 C ATOM 252 C MET A 18 1.305 9.770 0.856 1.00 0.78 C ATOM 253 O MET A 18 1.985 8.845 0.412 1.00 0.75 O ATOM 254 CB MET A 18 0.201 9.642 3.100 1.00 0.77 C ATOM 255 CG MET A 18 0.487 8.349 3.848 1.00 0.71 C ATOM 256 SD MET A 18 1.272 8.631 5.447 1.00 0.80 S ATOM 257 CE MET A 18 0.823 7.130 6.316 1.00 0.73 C ATOM 0 H MET A 18 0.650 12.065 2.845 1.00 0.86 H new ATOM 0 HA MET A 18 2.317 9.752 2.737 1.00 0.80 H new ATOM 0 HB2 MET A 18 -0.128 10.399 3.812 1.00 0.77 H new ATOM 0 HB3 MET A 18 -0.624 9.476 2.407 1.00 0.77 H new ATOM 0 HG2 MET A 18 -0.446 7.806 3.996 1.00 0.71 H new ATOM 0 HG3 MET A 18 1.131 7.716 3.238 1.00 0.71 H new ATOM 0 HE1 MET A 18 1.651 6.816 6.952 1.00 0.73 H new ATOM 0 HE2 MET A 18 -0.057 7.316 6.932 1.00 0.73 H new ATOM 0 HE3 MET A 18 0.601 6.344 5.594 1.00 0.73 H new ATOM 267 N ILE A 19 0.453 10.464 0.107 1.00 0.81 N ATOM 268 CA ILE A 19 0.266 10.171 -1.310 1.00 0.81 C ATOM 269 C ILE A 19 1.588 10.247 -2.067 1.00 0.84 C ATOM 270 O ILE A 19 1.915 9.360 -2.856 1.00 0.83 O ATOM 271 CB ILE A 19 -0.746 11.138 -1.958 1.00 0.83 C ATOM 272 CG1 ILE A 19 -2.072 11.104 -1.195 1.00 0.80 C ATOM 273 CG2 ILE A 19 -0.960 10.780 -3.423 1.00 0.86 C ATOM 274 CD1 ILE A 19 -3.153 11.962 -1.817 1.00 0.85 C ATOM 0 H ILE A 19 -0.118 11.233 0.458 1.00 0.81 H new ATOM 0 HA ILE A 19 -0.126 9.156 -1.373 1.00 0.81 H new ATOM 0 HB ILE A 19 -0.344 12.150 -1.909 1.00 0.83 H new ATOM 0 HG12 ILE A 19 -2.424 10.074 -1.141 1.00 0.80 H new ATOM 0 HG13 ILE A 19 -1.901 11.436 -0.171 1.00 0.80 H new ATOM 0 HG21 ILE A 19 -1.677 11.472 -3.866 1.00 0.86 H new ATOM 0 HG22 ILE A 19 -0.012 10.849 -3.957 1.00 0.86 H new ATOM 0 HG23 ILE A 19 -1.345 9.763 -3.497 1.00 0.86 H new ATOM 0 HD11 ILE A 19 -4.063 11.888 -1.222 1.00 0.85 H new ATOM 0 HD12 ILE A 19 -2.822 13.000 -1.846 1.00 0.85 H new ATOM 0 HD13 ILE A 19 -3.353 11.616 -2.831 1.00 0.85 H new ATOM 286 N ALA A 20 2.346 11.313 -1.821 1.00 0.89 N ATOM 287 CA ALA A 20 3.634 11.502 -2.479 1.00 0.94 C ATOM 288 C ALA A 20 4.521 10.274 -2.311 1.00 0.92 C ATOM 289 O ALA A 20 4.915 9.642 -3.291 1.00 0.94 O ATOM 290 CB ALA A 20 4.328 12.738 -1.928 1.00 1.00 C ATOM 0 H ALA A 20 2.090 12.057 -1.172 1.00 0.89 H new ATOM 0 HA ALA A 20 3.455 11.643 -3.545 1.00 0.94 H new ATOM 0 HB1 ALA A 20 5.288 12.869 -2.427 1.00 1.00 H new ATOM 0 HB2 ALA A 20 3.705 13.615 -2.105 1.00 1.00 H new ATOM 0 HB3 ALA A 20 4.489 12.618 -0.857 1.00 1.00 H new ATOM 296 N GLU A 21 4.823 9.935 -1.063 1.00 0.88 N ATOM 297 CA GLU A 21 5.653 8.774 -0.767 1.00 0.86 C ATOM 298 C GLU A 21 4.961 7.493 -1.221 1.00 0.82 C ATOM 299 O GLU A 21 5.613 6.493 -1.521 1.00 0.81 O ATOM 300 CB GLU A 21 5.954 8.704 0.731 1.00 0.87 C ATOM 301 CG GLU A 21 6.554 9.985 1.291 1.00 0.98 C ATOM 302 CD GLU A 21 6.364 10.109 2.790 1.00 1.35 C ATOM 303 OE1 GLU A 21 6.383 9.068 3.480 1.00 1.92 O ATOM 304 OE2 GLU A 21 6.196 11.248 3.275 1.00 2.01 O ATOM 0 H GLU A 21 4.506 10.448 -0.240 1.00 0.88 H new ATOM 0 HA GLU A 21 6.592 8.875 -1.311 1.00 0.86 H new ATOM 0 HB2 GLU A 21 5.033 8.479 1.268 1.00 0.87 H new ATOM 0 HB3 GLU A 21 6.641 7.879 0.917 1.00 0.87 H new ATOM 0 HG2 GLU A 21 7.619 10.015 1.059 1.00 0.98 H new ATOM 0 HG3 GLU A 21 6.096 10.843 0.798 1.00 0.98 H new ATOM 311 N PHE A 22 3.631 7.535 -1.273 1.00 0.79 N ATOM 312 CA PHE A 22 2.841 6.384 -1.695 1.00 0.76 C ATOM 313 C PHE A 22 3.274 5.904 -3.077 1.00 0.77 C ATOM 314 O PHE A 22 3.266 4.707 -3.363 1.00 0.74 O ATOM 315 CB PHE A 22 1.354 6.749 -1.713 1.00 0.75 C ATOM 316 CG PHE A 22 0.517 5.906 -0.796 1.00 1.52 C ATOM 317 CD1 PHE A 22 0.580 6.077 0.577 1.00 2.35 C ATOM 318 CD2 PHE A 22 -0.334 4.941 -1.309 1.00 2.37 C ATOM 319 CE1 PHE A 22 -0.191 5.302 1.422 1.00 3.36 C ATOM 320 CE2 PHE A 22 -1.107 4.164 -0.469 1.00 3.33 C ATOM 321 CZ PHE A 22 -1.036 4.344 0.897 1.00 3.68 C ATOM 0 H PHE A 22 3.078 8.356 -1.027 1.00 0.79 H new ATOM 0 HA PHE A 22 3.006 5.576 -0.983 1.00 0.76 H new ATOM 0 HB2 PHE A 22 1.242 7.796 -1.433 1.00 0.75 H new ATOM 0 HB3 PHE A 22 0.976 6.649 -2.731 1.00 0.75 H new ATOM 0 HD1 PHE A 22 1.239 6.825 0.992 1.00 2.35 H new ATOM 0 HD2 PHE A 22 -0.394 4.795 -2.377 1.00 2.37 H new ATOM 0 HE1 PHE A 22 -0.133 5.445 2.491 1.00 3.36 H new ATOM 0 HE2 PHE A 22 -1.767 3.415 -0.881 1.00 3.33 H new ATOM 0 HZ PHE A 22 -1.640 3.737 1.555 1.00 3.68 H new ATOM 331 N LYS A 23 3.655 6.850 -3.929 1.00 0.84 N ATOM 332 CA LYS A 23 4.096 6.530 -5.281 1.00 0.87 C ATOM 333 C LYS A 23 5.565 6.102 -5.303 1.00 0.88 C ATOM 334 O LYS A 23 6.125 5.839 -6.366 1.00 0.90 O ATOM 335 CB LYS A 23 3.893 7.736 -6.201 1.00 0.94 C ATOM 336 CG LYS A 23 3.903 7.383 -7.680 1.00 1.00 C ATOM 337 CD LYS A 23 2.514 7.007 -8.175 1.00 1.75 C ATOM 338 CE LYS A 23 2.100 7.849 -9.372 1.00 2.15 C ATOM 339 NZ LYS A 23 1.435 7.031 -10.424 1.00 2.98 N ATOM 0 H LYS A 23 3.667 7.845 -3.706 1.00 0.84 H new ATOM 0 HA LYS A 23 3.494 5.695 -5.639 1.00 0.87 H new ATOM 0 HB2 LYS A 23 2.944 8.213 -5.956 1.00 0.94 H new ATOM 0 HB3 LYS A 23 4.677 8.467 -6.005 1.00 0.94 H new ATOM 0 HG2 LYS A 23 4.278 8.230 -8.254 1.00 1.00 H new ATOM 0 HG3 LYS A 23 4.588 6.553 -7.852 1.00 1.00 H new ATOM 0 HD2 LYS A 23 2.498 5.952 -8.448 1.00 1.75 H new ATOM 0 HD3 LYS A 23 1.792 7.139 -7.369 1.00 1.75 H new ATOM 0 HE2 LYS A 23 1.423 8.638 -9.044 1.00 2.15 H new ATOM 0 HE3 LYS A 23 2.979 8.337 -9.793 1.00 2.15 H new ATOM 0 HZ1 LYS A 23 1.169 7.642 -11.222 1.00 2.98 H new ATOM 0 HZ2 LYS A 23 2.089 6.294 -10.756 1.00 2.98 H new ATOM 0 HZ3 LYS A 23 0.582 6.585 -10.030 1.00 2.98 H new ATOM 353 N ALA A 24 6.186 6.037 -4.125 1.00 0.89 N ATOM 354 CA ALA A 24 7.586 5.645 -4.019 1.00 0.91 C ATOM 355 C ALA A 24 7.826 4.260 -4.612 1.00 0.86 C ATOM 356 O ALA A 24 8.334 4.130 -5.725 1.00 0.89 O ATOM 357 CB ALA A 24 8.032 5.679 -2.564 1.00 0.93 C ATOM 0 H ALA A 24 5.740 6.251 -3.233 1.00 0.89 H new ATOM 0 HA ALA A 24 8.177 6.359 -4.592 1.00 0.91 H new ATOM 0 HB1 ALA A 24 9.079 5.384 -2.497 1.00 0.93 H new ATOM 0 HB2 ALA A 24 7.913 6.689 -2.171 1.00 0.93 H new ATOM 0 HB3 ALA A 24 7.423 4.988 -1.981 1.00 0.93 H new ATOM 363 N ALA A 25 7.465 3.227 -3.857 1.00 0.80 N ATOM 364 CA ALA A 25 7.649 1.850 -4.303 1.00 0.76 C ATOM 365 C ALA A 25 6.569 1.422 -5.296 1.00 0.72 C ATOM 366 O ALA A 25 6.591 0.298 -5.796 1.00 0.70 O ATOM 367 CB ALA A 25 7.667 0.910 -3.108 1.00 0.72 C ATOM 0 H ALA A 25 7.043 3.317 -2.933 1.00 0.80 H new ATOM 0 HA ALA A 25 8.608 1.797 -4.819 1.00 0.76 H new ATOM 0 HB1 ALA A 25 7.805 -0.115 -3.453 1.00 0.72 H new ATOM 0 HB2 ALA A 25 8.487 1.182 -2.443 1.00 0.72 H new ATOM 0 HB3 ALA A 25 6.722 0.988 -2.570 1.00 0.72 H new ATOM 373 N PHE A 26 5.624 2.315 -5.580 1.00 0.72 N ATOM 374 CA PHE A 26 4.542 2.011 -6.513 1.00 0.71 C ATOM 375 C PHE A 26 5.089 1.484 -7.838 1.00 0.77 C ATOM 376 O PHE A 26 4.419 0.724 -8.538 1.00 0.78 O ATOM 377 CB PHE A 26 3.688 3.256 -6.761 1.00 0.77 C ATOM 378 CG PHE A 26 2.359 2.954 -7.392 1.00 0.79 C ATOM 379 CD1 PHE A 26 2.262 2.721 -8.755 1.00 1.27 C ATOM 380 CD2 PHE A 26 1.207 2.903 -6.624 1.00 1.59 C ATOM 381 CE1 PHE A 26 1.041 2.443 -9.339 1.00 1.33 C ATOM 382 CE2 PHE A 26 -0.017 2.626 -7.203 1.00 1.75 C ATOM 383 CZ PHE A 26 -0.100 2.395 -8.562 1.00 1.14 C ATOM 0 H PHE A 26 5.585 3.252 -5.179 1.00 0.72 H new ATOM 0 HA PHE A 26 3.922 1.235 -6.065 1.00 0.71 H new ATOM 0 HB2 PHE A 26 3.523 3.769 -5.813 1.00 0.77 H new ATOM 0 HB3 PHE A 26 4.239 3.943 -7.404 1.00 0.77 H new ATOM 0 HD1 PHE A 26 3.151 2.757 -9.367 1.00 1.27 H new ATOM 0 HD2 PHE A 26 1.266 3.082 -5.561 1.00 1.59 H new ATOM 0 HE1 PHE A 26 0.979 2.263 -10.402 1.00 1.33 H new ATOM 0 HE2 PHE A 26 -0.908 2.590 -6.593 1.00 1.75 H new ATOM 0 HZ PHE A 26 -1.055 2.177 -9.016 1.00 1.14 H new ATOM 393 N ASP A 27 6.309 1.890 -8.175 1.00 0.86 N ATOM 394 CA ASP A 27 6.944 1.456 -9.415 1.00 0.94 C ATOM 395 C ASP A 27 7.596 0.087 -9.241 1.00 0.89 C ATOM 396 O ASP A 27 7.316 -0.845 -9.994 1.00 0.88 O ATOM 397 CB ASP A 27 7.986 2.483 -9.863 1.00 1.07 C ATOM 398 CG ASP A 27 7.512 3.307 -11.045 1.00 1.49 C ATOM 399 OD1 ASP A 27 6.829 2.745 -11.925 1.00 2.19 O ATOM 400 OD2 ASP A 27 7.825 4.516 -11.087 1.00 2.08 O ATOM 0 H ASP A 27 6.878 2.518 -7.607 1.00 0.86 H new ATOM 0 HA ASP A 27 6.174 1.374 -10.182 1.00 0.94 H new ATOM 0 HB2 ASP A 27 8.220 3.147 -9.031 1.00 1.07 H new ATOM 0 HB3 ASP A 27 8.909 1.968 -10.129 1.00 1.07 H new ATOM 405 N MET A 28 8.467 -0.025 -8.243 1.00 0.89 N ATOM 406 CA MET A 28 9.159 -1.279 -7.970 1.00 0.87 C ATOM 407 C MET A 28 8.172 -2.371 -7.566 1.00 0.76 C ATOM 408 O MET A 28 8.436 -3.558 -7.751 1.00 0.75 O ATOM 409 CB MET A 28 10.200 -1.081 -6.865 1.00 0.90 C ATOM 410 CG MET A 28 11.598 -0.802 -7.391 1.00 1.21 C ATOM 411 SD MET A 28 12.813 -0.618 -6.071 1.00 1.29 S ATOM 412 CE MET A 28 13.684 0.848 -6.615 1.00 1.31 C ATOM 0 H MET A 28 8.710 0.737 -7.610 1.00 0.89 H new ATOM 0 HA MET A 28 9.664 -1.592 -8.884 1.00 0.87 H new ATOM 0 HB2 MET A 28 9.889 -0.253 -6.228 1.00 0.90 H new ATOM 0 HB3 MET A 28 10.227 -1.973 -6.239 1.00 0.90 H new ATOM 0 HG2 MET A 28 11.903 -1.615 -8.050 1.00 1.21 H new ATOM 0 HG3 MET A 28 11.581 0.107 -7.993 1.00 1.21 H new ATOM 0 HE1 MET A 28 14.575 0.990 -6.004 1.00 1.31 H new ATOM 0 HE2 MET A 28 13.975 0.732 -7.659 1.00 1.31 H new ATOM 0 HE3 MET A 28 13.033 1.716 -6.514 1.00 1.31 H new ATOM 422 N PHE A 29 7.034 -1.962 -7.010 1.00 0.70 N ATOM 423 CA PHE A 29 6.009 -2.906 -6.580 1.00 0.62 C ATOM 424 C PHE A 29 5.587 -3.818 -7.728 1.00 0.65 C ATOM 425 O PHE A 29 5.893 -5.011 -7.731 1.00 0.68 O ATOM 426 CB PHE A 29 4.792 -2.154 -6.034 1.00 0.59 C ATOM 427 CG PHE A 29 4.613 -2.300 -4.551 1.00 0.55 C ATOM 428 CD1 PHE A 29 4.169 -3.495 -4.008 1.00 1.40 C ATOM 429 CD2 PHE A 29 4.889 -1.244 -3.699 1.00 1.21 C ATOM 430 CE1 PHE A 29 4.003 -3.633 -2.644 1.00 1.48 C ATOM 431 CE2 PHE A 29 4.726 -1.376 -2.332 1.00 1.17 C ATOM 432 CZ PHE A 29 4.282 -2.572 -1.805 1.00 0.67 C ATOM 0 H PHE A 29 6.800 -0.983 -6.847 1.00 0.70 H new ATOM 0 HA PHE A 29 6.431 -3.525 -5.789 1.00 0.62 H new ATOM 0 HB2 PHE A 29 4.889 -1.096 -6.278 1.00 0.59 H new ATOM 0 HB3 PHE A 29 3.895 -2.516 -6.537 1.00 0.59 H new ATOM 0 HD1 PHE A 29 3.950 -4.328 -4.659 1.00 1.40 H new ATOM 0 HD2 PHE A 29 5.236 -0.306 -4.107 1.00 1.21 H new ATOM 0 HE1 PHE A 29 3.655 -4.570 -2.234 1.00 1.48 H new ATOM 0 HE2 PHE A 29 4.946 -0.545 -1.678 1.00 1.17 H new ATOM 0 HZ PHE A 29 4.153 -2.678 -0.738 1.00 0.67 H new ATOM 442 N ASP A 30 4.886 -3.248 -8.704 1.00 0.68 N ATOM 443 CA ASP A 30 4.423 -4.010 -9.858 1.00 0.73 C ATOM 444 C ASP A 30 5.595 -4.656 -10.591 1.00 0.81 C ATOM 445 O ASP A 30 6.479 -3.966 -11.099 1.00 1.08 O ATOM 446 CB ASP A 30 3.646 -3.104 -10.814 1.00 0.80 C ATOM 447 CG ASP A 30 2.238 -2.823 -10.329 1.00 0.79 C ATOM 448 OD1 ASP A 30 1.479 -3.791 -10.115 1.00 0.80 O ATOM 449 OD2 ASP A 30 1.893 -1.634 -10.161 1.00 0.88 O ATOM 0 H ASP A 30 4.627 -2.262 -8.718 1.00 0.68 H new ATOM 0 HA ASP A 30 3.763 -4.800 -9.499 1.00 0.73 H new ATOM 0 HB2 ASP A 30 4.181 -2.162 -10.933 1.00 0.80 H new ATOM 0 HB3 ASP A 30 3.602 -3.571 -11.798 1.00 0.80 H new ATOM 454 N ALA A 31 5.595 -5.984 -10.640 1.00 0.82 N ATOM 455 CA ALA A 31 6.657 -6.723 -11.310 1.00 0.89 C ATOM 456 C ALA A 31 6.375 -6.858 -12.802 1.00 0.99 C ATOM 457 O ALA A 31 7.210 -6.511 -13.637 1.00 1.10 O ATOM 458 CB ALA A 31 6.825 -8.096 -10.677 1.00 0.84 C ATOM 0 H ALA A 31 4.871 -6.570 -10.224 1.00 0.82 H new ATOM 0 HA ALA A 31 7.585 -6.164 -11.191 1.00 0.89 H new ATOM 0 HB1 ALA A 31 7.622 -8.637 -11.188 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.081 -7.982 -9.624 1.00 0.84 H new ATOM 0 HB3 ALA A 31 5.893 -8.654 -10.766 1.00 0.84 H new ATOM 464 N ASP A 32 5.192 -7.366 -13.132 1.00 0.97 N ATOM 465 CA ASP A 32 4.799 -7.547 -14.524 1.00 1.08 C ATOM 466 C ASP A 32 4.406 -6.216 -15.156 1.00 1.05 C ATOM 467 O ASP A 32 4.581 -6.011 -16.358 1.00 1.18 O ATOM 468 CB ASP A 32 3.635 -8.535 -14.625 1.00 1.14 C ATOM 469 CG ASP A 32 2.435 -8.101 -13.808 1.00 1.05 C ATOM 470 OD1 ASP A 32 2.635 -7.546 -12.706 1.00 0.95 O ATOM 471 OD2 ASP A 32 1.293 -8.315 -14.268 1.00 1.21 O ATOM 0 H ASP A 32 4.489 -7.660 -12.454 1.00 0.97 H new ATOM 0 HA ASP A 32 5.655 -7.949 -15.066 1.00 1.08 H new ATOM 0 HB2 ASP A 32 3.341 -8.640 -15.669 1.00 1.14 H new ATOM 0 HB3 ASP A 32 3.965 -9.517 -14.287 1.00 1.14 H new ATOM 497 N ASP A 36 -1.479 -6.303 -10.527 1.00 0.80 N ATOM 498 CA ASP A 36 -1.663 -5.706 -9.209 1.00 0.66 C ATOM 499 C ASP A 36 -0.591 -6.194 -8.240 1.00 0.61 C ATOM 500 O ASP A 36 0.320 -6.927 -8.624 1.00 0.71 O ATOM 501 CB ASP A 36 -3.051 -6.043 -8.663 1.00 0.59 C ATOM 502 CG ASP A 36 -4.095 -5.019 -9.064 1.00 0.66 C ATOM 503 OD1 ASP A 36 -3.708 -3.888 -9.427 1.00 1.25 O ATOM 504 OD2 ASP A 36 -5.299 -5.348 -9.015 1.00 1.32 O ATOM 0 HA ASP A 36 -1.573 -4.624 -9.310 1.00 0.66 H new ATOM 0 HB2 ASP A 36 -3.352 -7.026 -9.026 1.00 0.59 H new ATOM 0 HB3 ASP A 36 -3.005 -6.105 -7.576 1.00 0.59 H new ATOM 509 N ILE A 37 -0.706 -5.781 -6.982 1.00 0.51 N ATOM 510 CA ILE A 37 0.253 -6.175 -5.957 1.00 0.47 C ATOM 511 C ILE A 37 -0.249 -7.383 -5.171 1.00 0.48 C ATOM 512 O ILE A 37 -1.389 -7.405 -4.707 1.00 0.49 O ATOM 513 CB ILE A 37 0.534 -5.017 -4.979 1.00 0.43 C ATOM 514 CG1 ILE A 37 0.964 -3.767 -5.749 1.00 0.48 C ATOM 515 CG2 ILE A 37 1.600 -5.418 -3.969 1.00 0.41 C ATOM 516 CD1 ILE A 37 1.284 -2.588 -4.857 1.00 0.47 C ATOM 0 H ILE A 37 -1.454 -5.173 -6.648 1.00 0.51 H new ATOM 0 HA ILE A 37 1.178 -6.439 -6.470 1.00 0.47 H new ATOM 0 HB ILE A 37 -0.383 -4.790 -4.435 1.00 0.43 H new ATOM 0 HG12 ILE A 37 1.841 -4.005 -6.351 1.00 0.48 H new ATOM 0 HG13 ILE A 37 0.170 -3.485 -6.440 1.00 0.48 H new ATOM 0 HG21 ILE A 37 1.785 -4.588 -3.287 1.00 0.41 H new ATOM 0 HG22 ILE A 37 1.257 -6.284 -3.403 1.00 0.41 H new ATOM 0 HG23 ILE A 37 2.522 -5.669 -4.493 1.00 0.41 H new ATOM 0 HD11 ILE A 37 1.581 -1.738 -5.471 1.00 0.47 H new ATOM 0 HD12 ILE A 37 0.402 -2.324 -4.273 1.00 0.47 H new ATOM 0 HD13 ILE A 37 2.099 -2.852 -4.183 1.00 0.47 H new ATOM 528 N SER A 38 0.612 -8.386 -5.027 1.00 0.53 N ATOM 529 CA SER A 38 0.257 -9.599 -4.297 1.00 0.57 C ATOM 530 C SER A 38 1.111 -9.742 -3.040 1.00 0.48 C ATOM 531 O SER A 38 1.774 -8.795 -2.617 1.00 0.42 O ATOM 532 CB SER A 38 0.433 -10.827 -5.192 1.00 0.66 C ATOM 533 OG SER A 38 -0.208 -11.961 -4.633 1.00 1.49 O ATOM 0 H SER A 38 1.559 -8.383 -5.405 1.00 0.53 H new ATOM 0 HA SER A 38 -0.789 -9.525 -3.999 1.00 0.57 H new ATOM 0 HB2 SER A 38 0.021 -10.623 -6.180 1.00 0.66 H new ATOM 0 HB3 SER A 38 1.495 -11.034 -5.326 1.00 0.66 H new ATOM 0 HG SER A 38 -0.083 -12.732 -5.224 1.00 1.49 H new ATOM 539 N THR A 39 1.088 -10.931 -2.446 1.00 0.51 N ATOM 540 CA THR A 39 1.859 -11.197 -1.237 1.00 0.46 C ATOM 541 C THR A 39 3.355 -11.192 -1.532 1.00 0.43 C ATOM 542 O THR A 39 4.168 -10.863 -0.667 1.00 0.54 O ATOM 543 CB THR A 39 1.452 -12.542 -0.633 1.00 0.53 C ATOM 544 OG1 THR A 39 1.258 -13.510 -1.649 1.00 0.65 O ATOM 545 CG2 THR A 39 0.179 -12.472 0.182 1.00 0.60 C ATOM 0 H THR A 39 0.544 -11.725 -2.782 1.00 0.51 H new ATOM 0 HA THR A 39 1.646 -10.404 -0.520 1.00 0.46 H new ATOM 0 HB THR A 39 2.273 -12.821 0.028 1.00 0.53 H new ATOM 0 HG1 THR A 39 0.849 -14.312 -1.263 1.00 0.65 H new ATOM 0 HG21 THR A 39 -0.052 -13.460 0.581 1.00 0.60 H new ATOM 0 HG22 THR A 39 0.312 -11.770 1.005 1.00 0.60 H new ATOM 0 HG23 THR A 39 -0.641 -12.136 -0.452 1.00 0.60 H new ATOM 553 N LYS A 40 3.714 -11.561 -2.757 1.00 0.46 N ATOM 554 CA LYS A 40 5.113 -11.601 -3.165 1.00 0.51 C ATOM 555 C LYS A 40 5.644 -10.196 -3.435 1.00 0.48 C ATOM 556 O LYS A 40 6.722 -9.828 -2.967 1.00 0.53 O ATOM 557 CB LYS A 40 5.276 -12.473 -4.413 1.00 0.65 C ATOM 558 CG LYS A 40 6.125 -13.712 -4.181 1.00 1.31 C ATOM 559 CD LYS A 40 7.181 -13.880 -5.264 1.00 1.88 C ATOM 560 CE LYS A 40 7.268 -15.321 -5.742 1.00 2.54 C ATOM 561 NZ LYS A 40 6.764 -15.475 -7.134 1.00 3.35 N ATOM 0 H LYS A 40 3.055 -11.837 -3.485 1.00 0.46 H new ATOM 0 HA LYS A 40 5.692 -12.035 -2.349 1.00 0.51 H new ATOM 0 HB2 LYS A 40 4.290 -12.778 -4.764 1.00 0.65 H new ATOM 0 HB3 LYS A 40 5.727 -11.877 -5.207 1.00 0.65 H new ATOM 0 HG2 LYS A 40 6.610 -13.644 -3.207 1.00 1.31 H new ATOM 0 HG3 LYS A 40 5.484 -14.593 -4.157 1.00 1.31 H new ATOM 0 HD2 LYS A 40 6.945 -13.230 -6.107 1.00 1.88 H new ATOM 0 HD3 LYS A 40 8.151 -13.564 -4.879 1.00 1.88 H new ATOM 0 HE2 LYS A 40 8.303 -15.659 -5.691 1.00 2.54 H new ATOM 0 HE3 LYS A 40 6.691 -15.961 -5.074 1.00 2.54 H new ATOM 0 HZ1 LYS A 40 6.840 -16.471 -7.423 1.00 3.35 H new ATOM 0 HZ2 LYS A 40 5.769 -15.177 -7.178 1.00 3.35 H new ATOM 0 HZ3 LYS A 40 7.331 -14.884 -7.776 1.00 3.35 H new ATOM 575 N GLU A 41 4.881 -9.415 -4.191 1.00 0.47 N ATOM 576 CA GLU A 41 5.273 -8.051 -4.526 1.00 0.47 C ATOM 577 C GLU A 41 5.485 -7.216 -3.266 1.00 0.41 C ATOM 578 O GLU A 41 6.286 -6.282 -3.257 1.00 0.46 O ATOM 579 CB GLU A 41 4.211 -7.397 -5.411 1.00 0.49 C ATOM 580 CG GLU A 41 4.090 -8.033 -6.788 1.00 0.57 C ATOM 581 CD GLU A 41 3.338 -7.159 -7.769 1.00 0.81 C ATOM 582 OE1 GLU A 41 3.298 -5.928 -7.561 1.00 1.53 O ATOM 583 OE2 GLU A 41 2.786 -7.705 -8.749 1.00 1.42 O ATOM 0 H GLU A 41 3.985 -9.704 -4.584 1.00 0.47 H new ATOM 0 HA GLU A 41 6.216 -8.096 -5.071 1.00 0.47 H new ATOM 0 HB2 GLU A 41 3.246 -7.453 -4.908 1.00 0.49 H new ATOM 0 HB3 GLU A 41 4.448 -6.340 -5.528 1.00 0.49 H new ATOM 0 HG2 GLU A 41 5.087 -8.237 -7.179 1.00 0.57 H new ATOM 0 HG3 GLU A 41 3.581 -8.992 -6.697 1.00 0.57 H new ATOM 590 N LEU A 42 4.759 -7.556 -2.205 1.00 0.35 N ATOM 591 CA LEU A 42 4.867 -6.834 -0.943 1.00 0.34 C ATOM 592 C LEU A 42 6.209 -7.104 -0.269 1.00 0.36 C ATOM 593 O LEU A 42 6.996 -6.185 -0.041 1.00 0.42 O ATOM 594 CB LEU A 42 3.719 -7.226 -0.007 1.00 0.34 C ATOM 595 CG LEU A 42 2.818 -6.069 0.432 1.00 0.30 C ATOM 596 CD1 LEU A 42 3.652 -4.928 0.995 1.00 0.31 C ATOM 597 CD2 LEU A 42 1.964 -5.588 -0.733 1.00 0.42 C ATOM 0 H LEU A 42 4.090 -8.326 -2.195 1.00 0.35 H new ATOM 0 HA LEU A 42 4.802 -5.767 -1.158 1.00 0.34 H new ATOM 0 HB2 LEU A 42 3.105 -7.976 -0.505 1.00 0.34 H new ATOM 0 HB3 LEU A 42 4.139 -7.697 0.882 1.00 0.34 H new ATOM 0 HG LEU A 42 2.154 -6.427 1.219 1.00 0.30 H new ATOM 0 HD11 LEU A 42 2.995 -4.114 1.302 1.00 0.31 H new ATOM 0 HD12 LEU A 42 4.218 -5.282 1.856 1.00 0.31 H new ATOM 0 HD13 LEU A 42 4.341 -4.569 0.230 1.00 0.31 H new ATOM 0 HD21 LEU A 42 1.329 -4.765 -0.404 1.00 0.42 H new ATOM 0 HD22 LEU A 42 2.611 -5.246 -1.541 1.00 0.42 H new ATOM 0 HD23 LEU A 42 1.340 -6.407 -1.089 1.00 0.42 H new ATOM 609 N GLY A 43 6.464 -8.369 0.050 1.00 0.36 N ATOM 610 CA GLY A 43 7.711 -8.736 0.697 1.00 0.40 C ATOM 611 C GLY A 43 8.932 -8.250 -0.062 1.00 0.45 C ATOM 612 O GLY A 43 10.003 -8.078 0.518 1.00 0.52 O ATOM 0 H GLY A 43 5.829 -9.147 -0.128 1.00 0.36 H new ATOM 0 HA2 GLY A 43 7.727 -8.323 1.705 1.00 0.40 H new ATOM 0 HA3 GLY A 43 7.758 -9.820 0.796 1.00 0.40 H new ATOM 616 N THR A 44 8.770 -8.027 -1.362 1.00 0.45 N ATOM 617 CA THR A 44 9.867 -7.556 -2.200 1.00 0.52 C ATOM 618 C THR A 44 10.400 -6.214 -1.701 1.00 0.54 C ATOM 619 O THR A 44 11.455 -6.150 -1.071 1.00 0.58 O ATOM 620 CB THR A 44 9.402 -7.433 -3.654 1.00 0.55 C ATOM 621 OG1 THR A 44 9.084 -8.705 -4.188 1.00 0.58 O ATOM 622 CG2 THR A 44 10.432 -6.798 -4.567 1.00 0.61 C ATOM 0 H THR A 44 7.890 -8.165 -1.858 1.00 0.45 H new ATOM 0 HA THR A 44 10.676 -8.284 -2.145 1.00 0.52 H new ATOM 0 HB THR A 44 8.525 -6.786 -3.619 1.00 0.55 H new ATOM 0 HG1 THR A 44 8.280 -9.053 -3.748 1.00 0.58 H new ATOM 0 HG21 THR A 44 10.035 -6.743 -5.581 1.00 0.61 H new ATOM 0 HG22 THR A 44 10.662 -5.793 -4.212 1.00 0.61 H new ATOM 0 HG23 THR A 44 11.340 -7.400 -4.565 1.00 0.61 H new ATOM 630 N VAL A 45 9.664 -5.148 -1.993 1.00 0.53 N ATOM 631 CA VAL A 45 10.061 -3.806 -1.582 1.00 0.56 C ATOM 632 C VAL A 45 10.147 -3.689 -0.061 1.00 0.55 C ATOM 633 O VAL A 45 10.858 -2.832 0.463 1.00 0.62 O ATOM 634 CB VAL A 45 9.078 -2.746 -2.117 1.00 0.56 C ATOM 635 CG1 VAL A 45 7.676 -2.992 -1.580 1.00 0.48 C ATOM 636 CG2 VAL A 45 9.557 -1.342 -1.768 1.00 0.61 C ATOM 0 H VAL A 45 8.788 -5.187 -2.514 1.00 0.53 H new ATOM 0 HA VAL A 45 11.049 -3.626 -2.006 1.00 0.56 H new ATOM 0 HB VAL A 45 9.042 -2.830 -3.203 1.00 0.56 H new ATOM 0 HG11 VAL A 45 6.998 -2.232 -1.970 1.00 0.48 H new ATOM 0 HG12 VAL A 45 7.334 -3.978 -1.893 1.00 0.48 H new ATOM 0 HG13 VAL A 45 7.689 -2.942 -0.491 1.00 0.48 H new ATOM 0 HG21 VAL A 45 8.849 -0.609 -2.155 1.00 0.61 H new ATOM 0 HG22 VAL A 45 9.629 -1.241 -0.685 1.00 0.61 H new ATOM 0 HG23 VAL A 45 10.537 -1.170 -2.214 1.00 0.61 H new ATOM 646 N MET A 46 9.417 -4.549 0.642 1.00 0.50 N ATOM 647 CA MET A 46 9.412 -4.531 2.101 1.00 0.51 C ATOM 648 C MET A 46 10.679 -5.169 2.664 1.00 0.56 C ATOM 649 O MET A 46 11.135 -4.808 3.749 1.00 0.61 O ATOM 650 CB MET A 46 8.179 -5.260 2.637 1.00 0.45 C ATOM 651 CG MET A 46 6.947 -4.376 2.738 1.00 0.41 C ATOM 652 SD MET A 46 7.117 -3.090 3.991 1.00 1.15 S ATOM 653 CE MET A 46 5.410 -2.878 4.493 1.00 0.57 C ATOM 0 H MET A 46 8.822 -5.266 0.226 1.00 0.50 H new ATOM 0 HA MET A 46 9.381 -3.490 2.423 1.00 0.51 H new ATOM 0 HB2 MET A 46 7.956 -6.107 1.987 1.00 0.45 H new ATOM 0 HB3 MET A 46 8.407 -5.666 3.623 1.00 0.45 H new ATOM 0 HG2 MET A 46 6.757 -3.912 1.770 1.00 0.41 H new ATOM 0 HG3 MET A 46 6.080 -4.993 2.972 1.00 0.41 H new ATOM 0 HE1 MET A 46 5.351 -2.112 5.266 1.00 0.57 H new ATOM 0 HE2 MET A 46 4.813 -2.573 3.634 1.00 0.57 H new ATOM 0 HE3 MET A 46 5.026 -3.820 4.885 1.00 0.57 H new ATOM 663 N ARG A 47 11.242 -6.119 1.925 1.00 0.58 N ATOM 664 CA ARG A 47 12.453 -6.805 2.359 1.00 0.64 C ATOM 665 C ARG A 47 13.703 -6.065 1.891 1.00 0.71 C ATOM 666 O ARG A 47 14.758 -6.151 2.519 1.00 0.76 O ATOM 667 CB ARG A 47 12.471 -8.241 1.832 1.00 0.65 C ATOM 668 CG ARG A 47 11.501 -9.166 2.549 1.00 0.61 C ATOM 669 CD ARG A 47 11.356 -10.495 1.825 1.00 0.64 C ATOM 670 NE ARG A 47 12.007 -11.586 2.548 1.00 1.11 N ATOM 671 CZ ARG A 47 12.365 -12.739 1.987 1.00 1.71 C ATOM 672 NH1 ARG A 47 12.136 -12.957 0.697 1.00 2.15 N ATOM 673 NH2 ARG A 47 12.953 -13.676 2.717 1.00 2.38 N ATOM 0 H ARG A 47 10.880 -6.431 1.024 1.00 0.58 H new ATOM 0 HA ARG A 47 12.453 -6.824 3.449 1.00 0.64 H new ATOM 0 HB2 ARG A 47 12.232 -8.232 0.769 1.00 0.65 H new ATOM 0 HB3 ARG A 47 13.480 -8.642 1.928 1.00 0.65 H new ATOM 0 HG2 ARG A 47 11.850 -9.342 3.567 1.00 0.61 H new ATOM 0 HG3 ARG A 47 10.526 -8.684 2.625 1.00 0.61 H new ATOM 0 HD2 ARG A 47 10.298 -10.725 1.697 1.00 0.64 H new ATOM 0 HD3 ARG A 47 11.787 -10.413 0.827 1.00 0.64 H new ATOM 0 HE ARG A 47 12.198 -11.456 3.541 1.00 1.11 H new ATOM 0 HH11 ARG A 47 11.684 -12.239 0.131 1.00 2.15 H new ATOM 0 HH12 ARG A 47 12.412 -13.842 0.272 1.00 2.15 H new ATOM 0 HH21 ARG A 47 13.131 -13.514 3.708 1.00 2.38 H new ATOM 0 HH22 ARG A 47 13.227 -14.560 2.288 1.00 2.38 H new ATOM 687 N MET A 48 13.580 -5.341 0.783 1.00 0.72 N ATOM 688 CA MET A 48 14.704 -4.590 0.232 1.00 0.79 C ATOM 689 C MET A 48 14.644 -3.126 0.654 1.00 0.80 C ATOM 690 O MET A 48 15.009 -2.234 -0.111 1.00 0.85 O ATOM 691 CB MET A 48 14.715 -4.694 -1.294 1.00 0.81 C ATOM 692 CG MET A 48 13.468 -4.120 -1.951 1.00 0.75 C ATOM 693 SD MET A 48 13.849 -3.009 -3.319 1.00 0.82 S ATOM 694 CE MET A 48 12.667 -1.696 -3.027 1.00 0.77 C ATOM 0 H MET A 48 12.715 -5.258 0.249 1.00 0.72 H new ATOM 0 HA MET A 48 15.624 -5.023 0.626 1.00 0.79 H new ATOM 0 HB2 MET A 48 15.591 -4.173 -1.679 1.00 0.81 H new ATOM 0 HB3 MET A 48 14.816 -5.741 -1.578 1.00 0.81 H new ATOM 0 HG2 MET A 48 12.845 -4.937 -2.315 1.00 0.75 H new ATOM 0 HG3 MET A 48 12.884 -3.583 -1.204 1.00 0.75 H new ATOM 0 HE1 MET A 48 13.143 -0.732 -3.206 1.00 0.77 H new ATOM 0 HE2 MET A 48 11.819 -1.813 -3.702 1.00 0.77 H new ATOM 0 HE3 MET A 48 12.318 -1.743 -1.995 1.00 0.77 H new ATOM 704 N LEU A 49 14.182 -2.885 1.878 1.00 0.80 N ATOM 705 CA LEU A 49 14.079 -1.527 2.400 1.00 0.81 C ATOM 706 C LEU A 49 14.341 -1.500 3.902 1.00 0.86 C ATOM 707 O LEU A 49 15.116 -0.678 4.392 1.00 0.94 O ATOM 708 CB LEU A 49 12.694 -0.947 2.103 1.00 0.74 C ATOM 709 CG LEU A 49 12.499 -0.426 0.677 1.00 0.73 C ATOM 710 CD1 LEU A 49 11.148 0.261 0.542 1.00 0.69 C ATOM 711 CD2 LEU A 49 13.623 0.527 0.296 1.00 0.81 C ATOM 0 H LEU A 49 13.874 -3.611 2.525 1.00 0.80 H new ATOM 0 HA LEU A 49 14.835 -0.917 1.906 1.00 0.81 H new ATOM 0 HB2 LEU A 49 11.946 -1.716 2.297 1.00 0.74 H new ATOM 0 HB3 LEU A 49 12.502 -0.132 2.800 1.00 0.74 H new ATOM 0 HG LEU A 49 12.524 -1.275 -0.006 1.00 0.73 H new ATOM 0 HD11 LEU A 49 11.025 0.626 -0.478 1.00 0.69 H new ATOM 0 HD12 LEU A 49 10.354 -0.450 0.771 1.00 0.69 H new ATOM 0 HD13 LEU A 49 11.095 1.100 1.236 1.00 0.69 H new ATOM 0 HD21 LEU A 49 13.466 0.886 -0.721 1.00 0.81 H new ATOM 0 HD22 LEU A 49 13.631 1.373 0.983 1.00 0.81 H new ATOM 0 HD23 LEU A 49 14.578 0.005 0.353 1.00 0.81 H new ATOM 723 N GLY A 50 13.691 -2.404 4.628 1.00 0.82 N ATOM 724 CA GLY A 50 13.869 -2.466 6.067 1.00 0.88 C ATOM 725 C GLY A 50 12.881 -3.402 6.734 1.00 0.81 C ATOM 726 O GLY A 50 13.248 -4.174 7.619 1.00 0.82 O ATOM 0 H GLY A 50 13.045 -3.094 4.246 1.00 0.82 H new ATOM 0 HA2 GLY A 50 14.884 -2.795 6.291 1.00 0.88 H new ATOM 0 HA3 GLY A 50 13.758 -1.466 6.487 1.00 0.88 H new ATOM 730 N GLN A 51 11.624 -3.333 6.308 1.00 0.75 N ATOM 731 CA GLN A 51 10.579 -4.182 6.870 1.00 0.69 C ATOM 732 C GLN A 51 10.895 -5.657 6.639 1.00 0.63 C ATOM 733 O GLN A 51 11.768 -5.996 5.841 1.00 0.63 O ATOM 734 CB GLN A 51 9.223 -3.834 6.253 1.00 0.64 C ATOM 735 CG GLN A 51 8.094 -3.758 7.269 1.00 0.69 C ATOM 736 CD GLN A 51 7.922 -2.366 7.845 1.00 1.12 C ATOM 737 OE1 GLN A 51 8.562 -1.413 7.401 1.00 1.94 O ATOM 738 NE2 GLN A 51 7.054 -2.242 8.843 1.00 1.63 N ATOM 0 H GLN A 51 11.304 -2.699 5.576 1.00 0.75 H new ATOM 0 HA GLN A 51 10.537 -4.002 7.944 1.00 0.69 H new ATOM 0 HB2 GLN A 51 9.302 -2.877 5.738 1.00 0.64 H new ATOM 0 HB3 GLN A 51 8.973 -4.581 5.500 1.00 0.64 H new ATOM 0 HG2 GLN A 51 7.163 -4.069 6.796 1.00 0.69 H new ATOM 0 HG3 GLN A 51 8.291 -4.461 8.079 1.00 0.69 H new ATOM 0 HE21 GLN A 51 6.544 -3.059 9.180 1.00 1.63 H new ATOM 0 HE22 GLN A 51 6.897 -1.330 9.272 1.00 1.63 H new ATOM 747 N ASN A 52 10.181 -6.528 7.342 1.00 0.60 N ATOM 748 CA ASN A 52 10.387 -7.965 7.213 1.00 0.57 C ATOM 749 C ASN A 52 9.089 -8.730 7.471 1.00 0.53 C ATOM 750 O ASN A 52 9.049 -9.641 8.298 1.00 0.56 O ATOM 751 CB ASN A 52 11.474 -8.434 8.182 1.00 0.62 C ATOM 752 CG ASN A 52 12.375 -9.491 7.575 1.00 1.28 C ATOM 753 OD1 ASN A 52 12.458 -9.625 6.354 1.00 2.19 O ATOM 754 ND2 ASN A 52 13.054 -10.250 8.427 1.00 1.78 N ATOM 0 H ASN A 52 9.454 -6.264 8.007 1.00 0.60 H new ATOM 0 HA ASN A 52 10.708 -8.170 6.192 1.00 0.57 H new ATOM 0 HB2 ASN A 52 12.077 -7.579 8.488 1.00 0.62 H new ATOM 0 HB3 ASN A 52 11.006 -8.833 9.082 1.00 0.62 H new ATOM 0 HD21 ASN A 52 13.675 -10.979 8.077 1.00 1.78 H new ATOM 0 HD22 ASN A 52 12.954 -10.104 9.432 1.00 1.78 H new ATOM 761 N PRO A 53 8.006 -8.369 6.761 1.00 0.50 N ATOM 762 CA PRO A 53 6.706 -9.026 6.919 1.00 0.50 C ATOM 763 C PRO A 53 6.684 -10.418 6.295 1.00 0.48 C ATOM 764 O PRO A 53 6.678 -10.561 5.072 1.00 0.47 O ATOM 765 CB PRO A 53 5.748 -8.093 6.179 1.00 0.51 C ATOM 766 CG PRO A 53 6.592 -7.434 5.144 1.00 0.50 C ATOM 767 CD PRO A 53 7.962 -7.293 5.751 1.00 0.50 C ATOM 0 HA PRO A 53 6.448 -9.179 7.967 1.00 0.50 H new ATOM 0 HB2 PRO A 53 4.925 -8.647 5.726 1.00 0.51 H new ATOM 0 HB3 PRO A 53 5.306 -7.361 6.855 1.00 0.51 H new ATOM 0 HG2 PRO A 53 6.629 -8.031 4.233 1.00 0.50 H new ATOM 0 HG3 PRO A 53 6.185 -6.461 4.871 1.00 0.50 H new ATOM 0 HD2 PRO A 53 8.746 -7.412 5.003 1.00 0.50 H new ATOM 0 HD3 PRO A 53 8.101 -6.312 6.204 1.00 0.50 H new ATOM 775 N THR A 54 6.674 -11.442 7.143 1.00 0.56 N ATOM 776 CA THR A 54 6.654 -12.823 6.676 1.00 0.61 C ATOM 777 C THR A 54 5.449 -13.080 5.776 1.00 0.56 C ATOM 778 O THR A 54 4.661 -12.174 5.505 1.00 0.49 O ATOM 779 CB THR A 54 6.631 -13.786 7.866 1.00 0.75 C ATOM 780 OG1 THR A 54 6.015 -13.180 8.987 1.00 1.44 O ATOM 781 CG2 THR A 54 8.009 -14.244 8.291 1.00 1.32 C ATOM 0 H THR A 54 6.679 -11.341 8.158 1.00 0.56 H new ATOM 0 HA THR A 54 7.560 -12.995 6.095 1.00 0.61 H new ATOM 0 HB THR A 54 6.066 -14.654 7.526 1.00 0.75 H new ATOM 0 HG1 THR A 54 6.008 -13.811 9.737 1.00 1.44 H new ATOM 0 HG21 THR A 54 7.921 -14.924 9.138 1.00 1.32 H new ATOM 0 HG22 THR A 54 8.493 -14.759 7.461 1.00 1.32 H new ATOM 0 HG23 THR A 54 8.607 -13.379 8.580 1.00 1.32 H new ATOM 789 N LYS A 55 5.314 -14.320 5.316 1.00 0.64 N ATOM 790 CA LYS A 55 4.206 -14.697 4.446 1.00 0.63 C ATOM 791 C LYS A 55 2.866 -14.432 5.124 1.00 0.58 C ATOM 792 O LYS A 55 2.019 -13.718 4.590 1.00 0.56 O ATOM 793 CB LYS A 55 4.312 -16.175 4.061 1.00 0.75 C ATOM 794 CG LYS A 55 3.268 -16.616 3.049 1.00 1.08 C ATOM 795 CD LYS A 55 3.831 -16.634 1.635 1.00 1.13 C ATOM 796 CE LYS A 55 3.049 -15.714 0.710 1.00 1.45 C ATOM 797 NZ LYS A 55 3.127 -16.157 -0.710 1.00 2.21 N ATOM 0 H LYS A 55 5.958 -15.081 5.531 1.00 0.64 H new ATOM 0 HA LYS A 55 4.263 -14.088 3.544 1.00 0.63 H new ATOM 0 HB2 LYS A 55 5.305 -16.365 3.653 1.00 0.75 H new ATOM 0 HB3 LYS A 55 4.215 -16.784 4.960 1.00 0.75 H new ATOM 0 HG2 LYS A 55 2.905 -17.610 3.309 1.00 1.08 H new ATOM 0 HG3 LYS A 55 2.412 -15.943 3.092 1.00 1.08 H new ATOM 0 HD2 LYS A 55 4.877 -16.328 1.655 1.00 1.13 H new ATOM 0 HD3 LYS A 55 3.804 -17.651 1.245 1.00 1.13 H new ATOM 0 HE2 LYS A 55 2.006 -15.685 1.024 1.00 1.45 H new ATOM 0 HE3 LYS A 55 3.436 -14.699 0.795 1.00 1.45 H new ATOM 0 HZ1 LYS A 55 2.581 -15.504 -1.308 1.00 2.21 H new ATOM 0 HZ2 LYS A 55 4.120 -16.161 -1.018 1.00 2.21 H new ATOM 0 HZ3 LYS A 55 2.734 -17.116 -0.797 1.00 2.21 H new ATOM 811 N CYS A 56 2.682 -15.013 6.306 1.00 0.67 N ATOM 812 CA CYS A 56 1.445 -14.838 7.059 1.00 0.69 C ATOM 813 C CYS A 56 1.200 -13.364 7.369 1.00 0.60 C ATOM 814 O CYS A 56 0.056 -12.923 7.473 1.00 0.60 O ATOM 815 CB CYS A 56 1.497 -15.648 8.357 1.00 0.83 C ATOM 816 SG CYS A 56 0.128 -16.813 8.556 1.00 1.60 S ATOM 0 H CYS A 56 3.373 -15.608 6.762 1.00 0.67 H new ATOM 0 HA CYS A 56 0.619 -15.201 6.447 1.00 0.69 H new ATOM 0 HB2 CYS A 56 2.437 -16.199 8.391 1.00 0.83 H new ATOM 0 HB3 CYS A 56 1.500 -14.960 9.202 1.00 0.83 H new ATOM 0 HG CYS A 56 0.261 -17.451 9.681 1.00 1.60 H new ATOM 822 N GLU A 57 2.283 -12.608 7.518 1.00 0.57 N ATOM 823 CA GLU A 57 2.186 -11.184 7.816 1.00 0.52 C ATOM 824 C GLU A 57 1.431 -10.447 6.714 1.00 0.45 C ATOM 825 O GLU A 57 0.346 -9.912 6.943 1.00 0.49 O ATOM 826 CB GLU A 57 3.583 -10.581 7.986 1.00 0.54 C ATOM 827 CG GLU A 57 3.981 -10.368 9.438 1.00 0.86 C ATOM 828 CD GLU A 57 3.865 -8.918 9.866 1.00 1.44 C ATOM 829 OE1 GLU A 57 3.137 -8.157 9.194 1.00 2.15 O ATOM 830 OE2 GLU A 57 4.503 -8.544 10.872 1.00 2.04 O ATOM 0 H GLU A 57 3.238 -12.958 7.437 1.00 0.57 H new ATOM 0 HA GLU A 57 1.633 -11.070 8.748 1.00 0.52 H new ATOM 0 HB2 GLU A 57 4.313 -11.236 7.510 1.00 0.54 H new ATOM 0 HB3 GLU A 57 3.623 -9.626 7.463 1.00 0.54 H new ATOM 0 HG2 GLU A 57 3.350 -10.984 10.078 1.00 0.86 H new ATOM 0 HG3 GLU A 57 5.007 -10.705 9.583 1.00 0.86 H new ATOM 837 N LEU A 58 2.012 -10.424 5.519 1.00 0.38 N ATOM 838 CA LEU A 58 1.396 -9.752 4.381 1.00 0.34 C ATOM 839 C LEU A 58 0.024 -10.345 4.075 1.00 0.36 C ATOM 840 O LEU A 58 -0.910 -9.626 3.722 1.00 0.34 O ATOM 841 CB LEU A 58 2.298 -9.859 3.149 1.00 0.35 C ATOM 842 CG LEU A 58 3.744 -9.409 3.364 1.00 0.36 C ATOM 843 CD1 LEU A 58 4.652 -10.008 2.302 1.00 0.40 C ATOM 844 CD2 LEU A 58 3.837 -7.891 3.352 1.00 0.38 C ATOM 0 H LEU A 58 2.909 -10.863 5.314 1.00 0.38 H new ATOM 0 HA LEU A 58 1.267 -8.701 4.638 1.00 0.34 H new ATOM 0 HB2 LEU A 58 2.303 -10.895 2.810 1.00 0.35 H new ATOM 0 HB3 LEU A 58 1.864 -9.263 2.347 1.00 0.35 H new ATOM 0 HG LEU A 58 4.074 -9.766 4.339 1.00 0.36 H new ATOM 0 HD11 LEU A 58 5.677 -9.677 2.471 1.00 0.40 H new ATOM 0 HD12 LEU A 58 4.608 -11.096 2.357 1.00 0.40 H new ATOM 0 HD13 LEU A 58 4.323 -9.681 1.316 1.00 0.40 H new ATOM 0 HD21 LEU A 58 4.873 -7.589 3.506 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.488 -7.513 2.391 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.217 -7.482 4.150 1.00 0.38 H new ATOM 856 N ASP A 59 -0.090 -11.663 4.216 1.00 0.44 N ATOM 857 CA ASP A 59 -1.349 -12.352 3.956 1.00 0.50 C ATOM 858 C ASP A 59 -2.455 -11.826 4.864 1.00 0.51 C ATOM 859 O ASP A 59 -3.628 -11.812 4.488 1.00 0.55 O ATOM 860 CB ASP A 59 -1.180 -13.859 4.157 1.00 0.58 C ATOM 861 CG ASP A 59 -1.932 -14.669 3.119 1.00 0.99 C ATOM 862 OD1 ASP A 59 -2.858 -14.115 2.491 1.00 1.51 O ATOM 863 OD2 ASP A 59 -1.595 -15.857 2.935 1.00 1.78 O ATOM 0 H ASP A 59 0.673 -12.274 4.508 1.00 0.44 H new ATOM 0 HA ASP A 59 -1.633 -12.160 2.921 1.00 0.50 H new ATOM 0 HB2 ASP A 59 -0.121 -14.112 4.114 1.00 0.58 H new ATOM 0 HB3 ASP A 59 -1.532 -14.132 5.152 1.00 0.58 H new ATOM 868 N ALA A 60 -2.075 -11.392 6.062 1.00 0.51 N ATOM 869 CA ALA A 60 -3.036 -10.864 7.023 1.00 0.55 C ATOM 870 C ALA A 60 -3.626 -9.544 6.539 1.00 0.50 C ATOM 871 O ALA A 60 -4.834 -9.325 6.623 1.00 0.53 O ATOM 872 CB ALA A 60 -2.377 -10.683 8.382 1.00 0.59 C ATOM 0 H ALA A 60 -1.109 -11.396 6.390 1.00 0.51 H new ATOM 0 HA ALA A 60 -3.850 -11.582 7.119 1.00 0.55 H new ATOM 0 HB1 ALA A 60 -3.106 -10.288 9.090 1.00 0.59 H new ATOM 0 HB2 ALA A 60 -2.009 -11.645 8.739 1.00 0.59 H new ATOM 0 HB3 ALA A 60 -1.544 -9.986 8.292 1.00 0.59 H new ATOM 878 N ILE A 61 -2.765 -8.669 6.030 1.00 0.43 N ATOM 879 CA ILE A 61 -3.202 -7.370 5.532 1.00 0.39 C ATOM 880 C ILE A 61 -4.004 -7.521 4.241 1.00 0.37 C ATOM 881 O ILE A 61 -5.171 -7.138 4.178 1.00 0.39 O ATOM 882 CB ILE A 61 -2.001 -6.433 5.282 1.00 0.36 C ATOM 883 CG1 ILE A 61 -1.225 -6.208 6.581 1.00 0.43 C ATOM 884 CG2 ILE A 61 -2.465 -5.104 4.705 1.00 0.33 C ATOM 885 CD1 ILE A 61 -0.122 -7.218 6.809 1.00 0.55 C ATOM 0 H ILE A 61 -1.762 -8.836 5.952 1.00 0.43 H new ATOM 0 HA ILE A 61 -3.839 -6.929 6.299 1.00 0.39 H new ATOM 0 HB ILE A 61 -1.340 -6.908 4.557 1.00 0.36 H new ATOM 0 HG12 ILE A 61 -0.793 -5.207 6.568 1.00 0.43 H new ATOM 0 HG13 ILE A 61 -1.919 -6.245 7.420 1.00 0.43 H new ATOM 0 HG21 ILE A 61 -1.602 -4.459 4.537 1.00 0.33 H new ATOM 0 HG22 ILE A 61 -2.978 -5.277 3.759 1.00 0.33 H new ATOM 0 HG23 ILE A 61 -3.147 -4.622 5.405 1.00 0.33 H new ATOM 0 HD11 ILE A 61 0.385 -6.997 7.748 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -0.550 -8.220 6.854 1.00 0.55 H new ATOM 0 HD13 ILE A 61 0.594 -7.166 5.989 1.00 0.55 H new ATOM 897 N ILE A 62 -3.369 -8.080 3.214 1.00 0.35 N ATOM 898 CA ILE A 62 -4.023 -8.280 1.922 1.00 0.36 C ATOM 899 C ILE A 62 -5.409 -8.897 2.090 1.00 0.41 C ATOM 900 O ILE A 62 -6.342 -8.558 1.363 1.00 0.44 O ATOM 901 CB ILE A 62 -3.178 -9.180 0.995 1.00 0.38 C ATOM 902 CG1 ILE A 62 -1.774 -8.595 0.818 1.00 0.35 C ATOM 903 CG2 ILE A 62 -3.861 -9.344 -0.356 1.00 0.43 C ATOM 904 CD1 ILE A 62 -0.905 -9.384 -0.138 1.00 0.38 C ATOM 0 H ILE A 62 -2.402 -8.403 3.251 1.00 0.35 H new ATOM 0 HA ILE A 62 -4.123 -7.295 1.466 1.00 0.36 H new ATOM 0 HB ILE A 62 -3.087 -10.163 1.457 1.00 0.38 H new ATOM 0 HG12 ILE A 62 -1.859 -7.570 0.457 1.00 0.35 H new ATOM 0 HG13 ILE A 62 -1.283 -8.550 1.790 1.00 0.35 H new ATOM 0 HG21 ILE A 62 -3.252 -9.981 -0.997 1.00 0.43 H new ATOM 0 HG22 ILE A 62 -4.840 -9.801 -0.215 1.00 0.43 H new ATOM 0 HG23 ILE A 62 -3.981 -8.367 -0.824 1.00 0.43 H new ATOM 0 HD11 ILE A 62 0.074 -8.911 -0.214 1.00 0.38 H new ATOM 0 HD12 ILE A 62 -0.789 -10.403 0.232 1.00 0.38 H new ATOM 0 HD13 ILE A 62 -1.374 -9.407 -1.122 1.00 0.38 H new ATOM 916 N CYS A 63 -5.537 -9.803 3.055 1.00 0.46 N ATOM 917 CA CYS A 63 -6.810 -10.462 3.317 1.00 0.53 C ATOM 918 C CYS A 63 -7.888 -9.441 3.665 1.00 0.53 C ATOM 919 O CYS A 63 -9.067 -9.641 3.370 1.00 0.57 O ATOM 920 CB CYS A 63 -6.661 -11.473 4.457 1.00 0.61 C ATOM 921 SG CYS A 63 -8.128 -12.495 4.733 1.00 0.81 S ATOM 0 H CYS A 63 -4.775 -10.096 3.667 1.00 0.46 H new ATOM 0 HA CYS A 63 -7.111 -10.989 2.412 1.00 0.53 H new ATOM 0 HB2 CYS A 63 -5.813 -12.124 4.243 1.00 0.61 H new ATOM 0 HB3 CYS A 63 -6.427 -10.936 5.376 1.00 0.61 H new ATOM 0 HG CYS A 63 -7.905 -13.319 5.714 1.00 0.81 H new ATOM 927 N GLU A 64 -7.475 -8.343 4.291 1.00 0.54 N ATOM 928 CA GLU A 64 -8.403 -7.287 4.676 1.00 0.58 C ATOM 929 C GLU A 64 -8.582 -6.285 3.540 1.00 0.55 C ATOM 930 O GLU A 64 -9.658 -5.710 3.370 1.00 0.60 O ATOM 931 CB GLU A 64 -7.901 -6.570 5.931 1.00 0.59 C ATOM 932 CG GLU A 64 -8.415 -7.179 7.226 1.00 0.92 C ATOM 933 CD GLU A 64 -7.953 -6.416 8.452 1.00 1.31 C ATOM 934 OE1 GLU A 64 -6.839 -6.701 8.942 1.00 1.91 O ATOM 935 OE2 GLU A 64 -8.702 -5.536 8.921 1.00 1.99 O ATOM 0 H GLU A 64 -6.503 -8.162 4.542 1.00 0.54 H new ATOM 0 HA GLU A 64 -9.369 -7.744 4.891 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -6.811 -6.588 5.938 1.00 0.59 H new ATOM 0 HB3 GLU A 64 -8.202 -5.523 5.887 1.00 0.59 H new ATOM 0 HG2 GLU A 64 -9.505 -7.201 7.206 1.00 0.92 H new ATOM 0 HG3 GLU A 64 -8.076 -8.213 7.297 1.00 0.92 H new ATOM 942 N VAL A 65 -7.523 -6.085 2.764 1.00 0.49 N ATOM 943 CA VAL A 65 -7.562 -5.156 1.641 1.00 0.51 C ATOM 944 C VAL A 65 -8.567 -5.611 0.589 1.00 0.54 C ATOM 945 O VAL A 65 -9.532 -4.906 0.290 1.00 0.69 O ATOM 946 CB VAL A 65 -6.177 -5.013 0.981 1.00 0.49 C ATOM 947 CG1 VAL A 65 -6.201 -3.926 -0.084 1.00 0.77 C ATOM 948 CG2 VAL A 65 -5.113 -4.722 2.028 1.00 0.71 C ATOM 0 H VAL A 65 -6.626 -6.554 2.892 1.00 0.49 H new ATOM 0 HA VAL A 65 -7.868 -4.189 2.040 1.00 0.51 H new ATOM 0 HB VAL A 65 -5.927 -5.957 0.497 1.00 0.49 H new ATOM 0 HG11 VAL A 65 -5.214 -3.840 -0.539 1.00 0.77 H new ATOM 0 HG12 VAL A 65 -6.932 -4.183 -0.850 1.00 0.77 H new ATOM 0 HG13 VAL A 65 -6.474 -2.975 0.373 1.00 0.77 H new ATOM 0 HG21 VAL A 65 -4.142 -4.624 1.543 1.00 0.71 H new ATOM 0 HG22 VAL A 65 -5.355 -3.793 2.545 1.00 0.71 H new ATOM 0 HG23 VAL A 65 -5.078 -5.539 2.748 1.00 0.71 H new ATOM 958 N ASP A 66 -8.334 -6.794 0.031 1.00 0.48 N ATOM 959 CA ASP A 66 -9.217 -7.346 -0.990 1.00 0.53 C ATOM 960 C ASP A 66 -10.598 -7.641 -0.413 1.00 0.67 C ATOM 961 O ASP A 66 -10.794 -8.641 0.276 1.00 1.16 O ATOM 962 CB ASP A 66 -8.612 -8.622 -1.577 1.00 0.51 C ATOM 963 CG ASP A 66 -7.434 -8.336 -2.488 1.00 0.56 C ATOM 964 OD1 ASP A 66 -6.335 -8.052 -1.966 1.00 0.83 O ATOM 965 OD2 ASP A 66 -7.611 -8.394 -3.723 1.00 0.78 O ATOM 0 H ASP A 66 -7.541 -7.389 0.269 1.00 0.48 H new ATOM 0 HA ASP A 66 -9.326 -6.605 -1.782 1.00 0.53 H new ATOM 0 HB2 ASP A 66 -8.290 -9.275 -0.766 1.00 0.51 H new ATOM 0 HB3 ASP A 66 -9.378 -9.161 -2.135 1.00 0.51 H new ATOM 970 N GLU A 67 -11.552 -6.762 -0.703 1.00 0.75 N ATOM 971 CA GLU A 67 -12.916 -6.927 -0.216 1.00 0.82 C ATOM 972 C GLU A 67 -13.646 -8.019 -0.991 1.00 0.85 C ATOM 973 O GLU A 67 -14.528 -8.690 -0.455 1.00 1.10 O ATOM 974 CB GLU A 67 -13.683 -5.607 -0.330 1.00 0.93 C ATOM 975 CG GLU A 67 -13.302 -4.587 0.731 1.00 1.82 C ATOM 976 CD GLU A 67 -14.176 -4.679 1.967 1.00 2.68 C ATOM 977 OE1 GLU A 67 -14.043 -5.669 2.717 1.00 3.29 O ATOM 978 OE2 GLU A 67 -14.993 -3.759 2.186 1.00 3.30 O ATOM 0 H GLU A 67 -11.405 -5.929 -1.273 1.00 0.75 H new ATOM 0 HA GLU A 67 -12.866 -7.223 0.832 1.00 0.82 H new ATOM 0 HB2 GLU A 67 -13.505 -5.177 -1.316 1.00 0.93 H new ATOM 0 HB3 GLU A 67 -14.752 -5.810 -0.259 1.00 0.93 H new ATOM 0 HG2 GLU A 67 -12.260 -4.735 1.015 1.00 1.82 H new ATOM 0 HG3 GLU A 67 -13.378 -3.584 0.310 1.00 1.82 H new ATOM 985 N ASP A 68 -13.272 -8.191 -2.255 1.00 0.93 N ATOM 986 CA ASP A 68 -13.892 -9.202 -3.104 1.00 0.95 C ATOM 987 C ASP A 68 -13.267 -10.574 -2.866 1.00 0.97 C ATOM 988 O ASP A 68 -13.932 -11.601 -3.002 1.00 1.33 O ATOM 989 CB ASP A 68 -13.754 -8.815 -4.577 1.00 0.92 C ATOM 990 CG ASP A 68 -12.313 -8.560 -4.975 1.00 0.86 C ATOM 991 OD1 ASP A 68 -11.621 -7.812 -4.255 1.00 0.73 O ATOM 992 OD2 ASP A 68 -11.878 -9.110 -6.009 1.00 1.04 O ATOM 0 H ASP A 68 -12.543 -7.644 -2.713 1.00 0.93 H new ATOM 0 HA ASP A 68 -14.950 -9.256 -2.846 1.00 0.95 H new ATOM 0 HB2 ASP A 68 -14.165 -9.611 -5.199 1.00 0.92 H new ATOM 0 HB3 ASP A 68 -14.346 -7.921 -4.772 1.00 0.92 H new ATOM 997 N GLY A 69 -11.986 -10.583 -2.514 1.00 0.81 N ATOM 998 CA GLY A 69 -11.294 -11.834 -2.266 1.00 0.82 C ATOM 999 C GLY A 69 -10.492 -12.298 -3.466 1.00 0.75 C ATOM 1000 O GLY A 69 -10.650 -13.428 -3.929 1.00 0.82 O ATOM 0 H GLY A 69 -11.415 -9.746 -2.396 1.00 0.81 H new ATOM 0 HA2 GLY A 69 -10.628 -11.715 -1.411 1.00 0.82 H new ATOM 0 HA3 GLY A 69 -12.021 -12.601 -1.999 1.00 0.82 H new ATOM 1004 N SER A 70 -9.631 -11.422 -3.973 1.00 0.65 N ATOM 1005 CA SER A 70 -8.801 -11.742 -5.128 1.00 0.63 C ATOM 1006 C SER A 70 -7.331 -11.868 -4.734 1.00 0.59 C ATOM 1007 O SER A 70 -6.547 -12.517 -5.427 1.00 0.63 O ATOM 1008 CB SER A 70 -8.960 -10.669 -6.207 1.00 0.64 C ATOM 1009 OG SER A 70 -9.435 -9.455 -5.651 1.00 0.63 O ATOM 0 H SER A 70 -9.490 -10.483 -3.601 1.00 0.65 H new ATOM 0 HA SER A 70 -9.132 -12.702 -5.523 1.00 0.63 H new ATOM 0 HB2 SER A 70 -8.002 -10.498 -6.698 1.00 0.64 H new ATOM 0 HB3 SER A 70 -9.653 -11.018 -6.973 1.00 0.64 H new ATOM 0 HG SER A 70 -10.183 -9.120 -6.188 1.00 0.63 H new ATOM 1015 N GLY A 71 -6.961 -11.238 -3.623 1.00 0.56 N ATOM 1016 CA GLY A 71 -5.585 -11.290 -3.166 1.00 0.56 C ATOM 1017 C GLY A 71 -4.681 -10.341 -3.931 1.00 0.53 C ATOM 1018 O GLY A 71 -3.457 -10.454 -3.868 1.00 0.53 O ATOM 0 H GLY A 71 -7.589 -10.693 -3.032 1.00 0.56 H new ATOM 0 HA2 GLY A 71 -5.549 -11.044 -2.105 1.00 0.56 H new ATOM 0 HA3 GLY A 71 -5.209 -12.308 -3.271 1.00 0.56 H new ATOM 1022 N THR A 72 -5.284 -9.402 -4.656 1.00 0.55 N ATOM 1023 CA THR A 72 -4.525 -8.430 -5.434 1.00 0.55 C ATOM 1024 C THR A 72 -4.932 -7.007 -5.067 1.00 0.51 C ATOM 1025 O THR A 72 -6.110 -6.725 -4.846 1.00 0.59 O ATOM 1026 CB THR A 72 -4.738 -8.666 -6.930 1.00 0.63 C ATOM 1027 OG1 THR A 72 -6.096 -8.461 -7.281 1.00 0.72 O ATOM 1028 CG2 THR A 72 -4.355 -10.060 -7.377 1.00 0.63 C ATOM 0 H THR A 72 -6.296 -9.295 -4.720 1.00 0.55 H new ATOM 0 HA THR A 72 -3.468 -8.558 -5.201 1.00 0.55 H new ATOM 0 HB THR A 72 -4.087 -7.950 -7.431 1.00 0.63 H new ATOM 0 HG1 THR A 72 -6.212 -8.615 -8.242 1.00 0.72 H new ATOM 0 HG21 THR A 72 -4.531 -10.160 -8.448 1.00 0.63 H new ATOM 0 HG22 THR A 72 -3.300 -10.233 -7.165 1.00 0.63 H new ATOM 0 HG23 THR A 72 -4.958 -10.793 -6.841 1.00 0.63 H new ATOM 1036 N ILE A 73 -3.951 -6.113 -5.002 1.00 0.43 N ATOM 1037 CA ILE A 73 -4.208 -4.720 -4.660 1.00 0.41 C ATOM 1038 C ILE A 73 -4.264 -3.845 -5.907 1.00 0.47 C ATOM 1039 O ILE A 73 -3.303 -3.775 -6.674 1.00 0.52 O ATOM 1040 CB ILE A 73 -3.131 -4.167 -3.708 1.00 0.36 C ATOM 1041 CG1 ILE A 73 -2.911 -5.129 -2.539 1.00 0.33 C ATOM 1042 CG2 ILE A 73 -3.528 -2.789 -3.201 1.00 0.38 C ATOM 1043 CD1 ILE A 73 -1.811 -4.691 -1.596 1.00 0.33 C ATOM 0 H ILE A 73 -2.970 -6.329 -5.182 1.00 0.43 H new ATOM 0 HA ILE A 73 -5.176 -4.694 -4.159 1.00 0.41 H new ATOM 0 HB ILE A 73 -2.195 -4.073 -4.258 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -3.841 -5.227 -1.979 1.00 0.33 H new ATOM 0 HG13 ILE A 73 -2.670 -6.117 -2.932 1.00 0.33 H new ATOM 0 HG21 ILE A 73 -2.757 -2.412 -2.529 1.00 0.38 H new ATOM 0 HG22 ILE A 73 -3.638 -2.108 -4.045 1.00 0.38 H new ATOM 0 HG23 ILE A 73 -4.474 -2.857 -2.664 1.00 0.38 H new ATOM 0 HD11 ILE A 73 -1.710 -5.419 -0.791 1.00 0.33 H new ATOM 0 HD12 ILE A 73 -0.870 -4.621 -2.142 1.00 0.33 H new ATOM 0 HD13 ILE A 73 -2.060 -3.717 -1.174 1.00 0.33 H new ATOM 1055 N ASP A 74 -5.396 -3.177 -6.103 1.00 0.51 N ATOM 1056 CA ASP A 74 -5.581 -2.303 -7.256 1.00 0.58 C ATOM 1057 C ASP A 74 -4.828 -0.990 -7.069 1.00 0.58 C ATOM 1058 O ASP A 74 -4.024 -0.849 -6.147 1.00 0.55 O ATOM 1059 CB ASP A 74 -7.069 -2.027 -7.479 1.00 0.61 C ATOM 1060 CG ASP A 74 -7.459 -2.104 -8.942 1.00 1.03 C ATOM 1061 OD1 ASP A 74 -6.576 -1.909 -9.803 1.00 1.74 O ATOM 1062 OD2 ASP A 74 -8.648 -2.358 -9.227 1.00 1.67 O ATOM 0 H ASP A 74 -6.200 -3.224 -5.477 1.00 0.51 H new ATOM 0 HA ASP A 74 -5.178 -2.809 -8.134 1.00 0.58 H new ATOM 0 HB2 ASP A 74 -7.658 -2.747 -6.911 1.00 0.61 H new ATOM 0 HB3 ASP A 74 -7.314 -1.038 -7.092 1.00 0.61 H new ATOM 1067 N PHE A 75 -5.095 -0.029 -7.949 1.00 0.64 N ATOM 1068 CA PHE A 75 -4.442 1.274 -7.878 1.00 0.68 C ATOM 1069 C PHE A 75 -4.746 1.963 -6.552 1.00 0.61 C ATOM 1070 O PHE A 75 -3.900 2.013 -5.658 1.00 0.60 O ATOM 1071 CB PHE A 75 -4.893 2.158 -9.044 1.00 0.77 C ATOM 1072 CG PHE A 75 -3.889 2.239 -10.158 1.00 1.07 C ATOM 1073 CD1 PHE A 75 -3.647 1.143 -10.972 1.00 1.78 C ATOM 1074 CD2 PHE A 75 -3.187 3.410 -10.392 1.00 1.81 C ATOM 1075 CE1 PHE A 75 -2.724 1.215 -11.998 1.00 2.31 C ATOM 1076 CE2 PHE A 75 -2.263 3.488 -11.416 1.00 2.27 C ATOM 1077 CZ PHE A 75 -2.030 2.389 -12.220 1.00 2.28 C ATOM 0 H PHE A 75 -5.758 -0.128 -8.718 1.00 0.64 H new ATOM 0 HA PHE A 75 -3.365 1.118 -7.946 1.00 0.68 H new ATOM 0 HB2 PHE A 75 -5.833 1.772 -9.440 1.00 0.77 H new ATOM 0 HB3 PHE A 75 -5.093 3.163 -8.672 1.00 0.77 H new ATOM 0 HD1 PHE A 75 -4.186 0.223 -10.802 1.00 1.78 H new ATOM 0 HD2 PHE A 75 -3.364 4.272 -9.766 1.00 1.81 H new ATOM 0 HE1 PHE A 75 -2.545 0.354 -12.626 1.00 2.31 H new ATOM 0 HE2 PHE A 75 -1.723 4.407 -11.588 1.00 2.27 H new ATOM 0 HZ PHE A 75 -1.307 2.447 -13.020 1.00 2.28 H new ATOM 1087 N GLU A 76 -5.959 2.493 -6.428 1.00 0.58 N ATOM 1088 CA GLU A 76 -6.373 3.179 -5.210 1.00 0.54 C ATOM 1089 C GLU A 76 -6.463 2.204 -4.040 1.00 0.47 C ATOM 1090 O GLU A 76 -6.337 2.598 -2.880 1.00 0.46 O ATOM 1091 CB GLU A 76 -7.723 3.867 -5.419 1.00 0.56 C ATOM 1092 CG GLU A 76 -7.731 4.847 -6.581 1.00 1.04 C ATOM 1093 CD GLU A 76 -8.329 6.190 -6.209 1.00 1.53 C ATOM 1094 OE1 GLU A 76 -9.076 6.249 -5.210 1.00 2.25 O ATOM 1095 OE2 GLU A 76 -8.050 7.181 -6.916 1.00 2.16 O ATOM 0 H GLU A 76 -6.672 2.460 -7.157 1.00 0.58 H new ATOM 0 HA GLU A 76 -5.622 3.933 -4.976 1.00 0.54 H new ATOM 0 HB2 GLU A 76 -8.486 3.108 -5.589 1.00 0.56 H new ATOM 0 HB3 GLU A 76 -7.997 4.396 -4.506 1.00 0.56 H new ATOM 0 HG2 GLU A 76 -6.710 4.994 -6.934 1.00 1.04 H new ATOM 0 HG3 GLU A 76 -8.297 4.419 -7.409 1.00 1.04 H new ATOM 1102 N GLU A 77 -6.682 0.928 -4.350 1.00 0.43 N ATOM 1103 CA GLU A 77 -6.788 -0.102 -3.324 1.00 0.38 C ATOM 1104 C GLU A 77 -5.545 -0.126 -2.437 1.00 0.35 C ATOM 1105 O GLU A 77 -5.594 -0.585 -1.296 1.00 0.34 O ATOM 1106 CB GLU A 77 -6.997 -1.473 -3.971 1.00 0.39 C ATOM 1107 CG GLU A 77 -8.440 -1.951 -3.930 1.00 0.39 C ATOM 1108 CD GLU A 77 -8.578 -3.421 -4.273 1.00 0.45 C ATOM 1109 OE1 GLU A 77 -7.665 -3.966 -4.929 1.00 1.23 O ATOM 1110 OE2 GLU A 77 -9.597 -4.028 -3.884 1.00 1.17 O ATOM 0 H GLU A 77 -6.789 0.584 -5.304 1.00 0.43 H new ATOM 0 HA GLU A 77 -7.649 0.133 -2.698 1.00 0.38 H new ATOM 0 HB2 GLU A 77 -6.666 -1.430 -5.009 1.00 0.39 H new ATOM 0 HB3 GLU A 77 -6.366 -2.204 -3.466 1.00 0.39 H new ATOM 0 HG2 GLU A 77 -8.849 -1.774 -2.935 1.00 0.39 H new ATOM 0 HG3 GLU A 77 -9.034 -1.362 -4.629 1.00 0.39 H new ATOM 1117 N PHE A 78 -4.432 0.371 -2.968 1.00 0.38 N ATOM 1118 CA PHE A 78 -3.180 0.407 -2.222 1.00 0.38 C ATOM 1119 C PHE A 78 -3.237 1.438 -1.096 1.00 0.39 C ATOM 1120 O PHE A 78 -2.405 1.423 -0.189 1.00 0.39 O ATOM 1121 CB PHE A 78 -2.013 0.722 -3.158 1.00 0.44 C ATOM 1122 CG PHE A 78 -0.667 0.413 -2.567 1.00 0.94 C ATOM 1123 CD1 PHE A 78 -0.200 -0.890 -2.518 1.00 1.88 C ATOM 1124 CD2 PHE A 78 0.131 1.426 -2.060 1.00 1.52 C ATOM 1125 CE1 PHE A 78 1.038 -1.178 -1.975 1.00 2.40 C ATOM 1126 CE2 PHE A 78 1.369 1.146 -1.516 1.00 2.02 C ATOM 1127 CZ PHE A 78 1.823 -0.159 -1.473 1.00 2.21 C ATOM 0 H PHE A 78 -4.372 0.754 -3.911 1.00 0.38 H new ATOM 0 HA PHE A 78 -3.027 -0.577 -1.778 1.00 0.38 H new ATOM 0 HB2 PHE A 78 -2.135 0.154 -4.080 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -2.049 1.778 -3.427 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -0.811 -1.691 -2.909 1.00 1.88 H new ATOM 0 HD2 PHE A 78 -0.220 2.447 -2.091 1.00 1.52 H new ATOM 0 HE1 PHE A 78 1.391 -2.198 -1.943 1.00 2.40 H new ATOM 0 HE2 PHE A 78 1.981 1.945 -1.125 1.00 2.02 H new ATOM 0 HZ PHE A 78 2.790 -0.381 -1.047 1.00 2.21 H new ATOM 1137 N LEU A 79 -4.218 2.335 -1.159 1.00 0.42 N ATOM 1138 CA LEU A 79 -4.373 3.371 -0.144 1.00 0.46 C ATOM 1139 C LEU A 79 -5.307 2.914 0.973 1.00 0.44 C ATOM 1140 O LEU A 79 -5.090 3.229 2.143 1.00 0.51 O ATOM 1141 CB LEU A 79 -4.911 4.657 -0.776 1.00 0.54 C ATOM 1142 CG LEU A 79 -3.937 5.377 -1.713 1.00 0.58 C ATOM 1143 CD1 LEU A 79 -4.587 5.636 -3.064 1.00 0.64 C ATOM 1144 CD2 LEU A 79 -3.462 6.683 -1.091 1.00 0.65 C ATOM 0 H LEU A 79 -4.916 2.365 -1.902 1.00 0.42 H new ATOM 0 HA LEU A 79 -3.391 3.565 0.288 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -5.817 4.418 -1.333 1.00 0.54 H new ATOM 0 HB3 LEU A 79 -5.198 5.343 0.021 1.00 0.54 H new ATOM 0 HG LEU A 79 -3.070 4.734 -1.866 1.00 0.58 H new ATOM 0 HD11 LEU A 79 -3.879 6.148 -3.716 1.00 0.64 H new ATOM 0 HD12 LEU A 79 -4.876 4.687 -3.516 1.00 0.64 H new ATOM 0 HD13 LEU A 79 -5.472 6.258 -2.929 1.00 0.64 H new ATOM 0 HD21 LEU A 79 -2.771 7.180 -1.772 1.00 0.65 H new ATOM 0 HD22 LEU A 79 -4.319 7.331 -0.907 1.00 0.65 H new ATOM 0 HD23 LEU A 79 -2.956 6.474 -0.149 1.00 0.65 H new ATOM 1156 N VAL A 80 -6.351 2.178 0.606 1.00 0.41 N ATOM 1157 CA VAL A 80 -7.319 1.689 1.580 1.00 0.42 C ATOM 1158 C VAL A 80 -6.733 0.573 2.444 1.00 0.41 C ATOM 1159 O VAL A 80 -7.160 0.369 3.579 1.00 0.45 O ATOM 1160 CB VAL A 80 -8.604 1.181 0.895 1.00 0.46 C ATOM 1161 CG1 VAL A 80 -8.324 -0.066 0.065 1.00 1.11 C ATOM 1162 CG2 VAL A 80 -9.691 0.916 1.928 1.00 1.14 C ATOM 0 H VAL A 80 -6.548 1.908 -0.358 1.00 0.41 H new ATOM 0 HA VAL A 80 -7.570 2.536 2.219 1.00 0.42 H new ATOM 0 HB VAL A 80 -8.959 1.958 0.218 1.00 0.46 H new ATOM 0 HG11 VAL A 80 -9.247 -0.404 -0.407 1.00 1.11 H new ATOM 0 HG12 VAL A 80 -7.587 0.166 -0.704 1.00 1.11 H new ATOM 0 HG13 VAL A 80 -7.938 -0.854 0.711 1.00 1.11 H new ATOM 0 HG21 VAL A 80 -10.590 0.558 1.426 1.00 1.14 H new ATOM 0 HG22 VAL A 80 -9.345 0.162 2.635 1.00 1.14 H new ATOM 0 HG23 VAL A 80 -9.917 1.838 2.463 1.00 1.14 H new ATOM 1172 N MET A 81 -5.753 -0.145 1.900 1.00 0.38 N ATOM 1173 CA MET A 81 -5.116 -1.237 2.630 1.00 0.40 C ATOM 1174 C MET A 81 -4.515 -0.736 3.939 1.00 0.42 C ATOM 1175 O MET A 81 -4.528 -1.439 4.949 1.00 0.49 O ATOM 1176 CB MET A 81 -4.031 -1.890 1.772 1.00 0.37 C ATOM 1177 CG MET A 81 -3.151 -0.894 1.038 1.00 0.33 C ATOM 1178 SD MET A 81 -1.487 -1.521 0.743 1.00 0.35 S ATOM 1179 CE MET A 81 -0.814 -1.486 2.401 1.00 0.39 C ATOM 0 H MET A 81 -5.385 0.009 0.961 1.00 0.38 H new ATOM 0 HA MET A 81 -5.879 -1.980 2.862 1.00 0.40 H new ATOM 0 HB2 MET A 81 -3.404 -2.515 2.408 1.00 0.37 H new ATOM 0 HB3 MET A 81 -4.504 -2.549 1.044 1.00 0.37 H new ATOM 0 HG2 MET A 81 -3.614 -0.641 0.084 1.00 0.33 H new ATOM 0 HG3 MET A 81 -3.090 0.027 1.618 1.00 0.33 H new ATOM 0 HE1 MET A 81 0.256 -1.282 2.355 1.00 0.39 H new ATOM 0 HE2 MET A 81 -1.308 -0.704 2.978 1.00 0.39 H new ATOM 0 HE3 MET A 81 -0.980 -2.450 2.881 1.00 0.39 H new ATOM 1189 N MET A 82 -3.991 0.484 3.913 1.00 0.41 N ATOM 1190 CA MET A 82 -3.390 1.084 5.096 1.00 0.47 C ATOM 1191 C MET A 82 -4.456 1.746 5.963 1.00 0.45 C ATOM 1192 O MET A 82 -4.331 1.803 7.186 1.00 0.48 O ATOM 1193 CB MET A 82 -2.331 2.110 4.691 1.00 0.57 C ATOM 1194 CG MET A 82 -0.911 1.566 4.736 1.00 0.90 C ATOM 1195 SD MET A 82 0.241 2.690 5.550 1.00 1.19 S ATOM 1196 CE MET A 82 0.886 3.587 4.142 1.00 1.05 C ATOM 0 H MET A 82 -3.971 1.077 3.083 1.00 0.41 H new ATOM 0 HA MET A 82 -2.912 0.294 5.676 1.00 0.47 H new ATOM 0 HB2 MET A 82 -2.545 2.462 3.682 1.00 0.57 H new ATOM 0 HB3 MET A 82 -2.402 2.974 5.352 1.00 0.57 H new ATOM 0 HG2 MET A 82 -0.909 0.610 5.259 1.00 0.90 H new ATOM 0 HG3 MET A 82 -0.568 1.374 3.719 1.00 0.90 H new ATOM 0 HE1 MET A 82 1.973 3.638 4.210 1.00 1.05 H new ATOM 0 HE2 MET A 82 0.603 3.074 3.223 1.00 1.05 H new ATOM 0 HE3 MET A 82 0.475 4.597 4.135 1.00 1.05 H new ATOM 1206 N VAL A 83 -5.507 2.242 5.319 1.00 0.45 N ATOM 1207 CA VAL A 83 -6.600 2.898 6.026 1.00 0.47 C ATOM 1208 C VAL A 83 -7.357 1.904 6.901 1.00 0.52 C ATOM 1209 O VAL A 83 -7.885 2.263 7.953 1.00 0.59 O ATOM 1210 CB VAL A 83 -7.588 3.559 5.045 1.00 0.47 C ATOM 1211 CG1 VAL A 83 -8.635 4.365 5.800 1.00 0.53 C ATOM 1212 CG2 VAL A 83 -6.847 4.437 4.049 1.00 0.48 C ATOM 0 H VAL A 83 -5.625 2.202 4.307 1.00 0.45 H new ATOM 0 HA VAL A 83 -6.156 3.670 6.654 1.00 0.47 H new ATOM 0 HB VAL A 83 -8.099 2.772 4.491 1.00 0.47 H new ATOM 0 HG11 VAL A 83 -9.323 4.824 5.090 1.00 0.53 H new ATOM 0 HG12 VAL A 83 -9.189 3.706 6.468 1.00 0.53 H new ATOM 0 HG13 VAL A 83 -8.144 5.144 6.384 1.00 0.53 H new ATOM 0 HG21 VAL A 83 -7.562 4.895 3.365 1.00 0.48 H new ATOM 0 HG22 VAL A 83 -6.306 5.217 4.584 1.00 0.48 H new ATOM 0 HG23 VAL A 83 -6.141 3.829 3.483 1.00 0.48 H new ATOM 1222 N ARG A 84 -7.403 0.652 6.458 1.00 0.52 N ATOM 1223 CA ARG A 84 -8.094 -0.396 7.201 1.00 0.60 C ATOM 1224 C ARG A 84 -7.302 -0.810 8.442 1.00 0.64 C ATOM 1225 O ARG A 84 -7.796 -1.565 9.278 1.00 0.73 O ATOM 1226 CB ARG A 84 -8.332 -1.612 6.304 1.00 0.59 C ATOM 1227 CG ARG A 84 -9.300 -1.345 5.164 1.00 0.57 C ATOM 1228 CD ARG A 84 -10.139 -2.573 4.845 1.00 0.62 C ATOM 1229 NE ARG A 84 -11.491 -2.217 4.421 1.00 0.94 N ATOM 1230 CZ ARG A 84 -12.462 -1.862 5.260 1.00 1.52 C ATOM 1231 NH1 ARG A 84 -12.235 -1.817 6.566 1.00 2.15 N ATOM 1232 NH2 ARG A 84 -13.662 -1.552 4.789 1.00 1.99 N ATOM 0 H ARG A 84 -6.971 0.338 5.589 1.00 0.52 H new ATOM 0 HA ARG A 84 -9.054 0.003 7.528 1.00 0.60 H new ATOM 0 HB2 ARG A 84 -7.378 -1.941 5.891 1.00 0.59 H new ATOM 0 HB3 ARG A 84 -8.716 -2.432 6.911 1.00 0.59 H new ATOM 0 HG2 ARG A 84 -9.955 -0.515 5.428 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -8.744 -1.043 4.277 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -9.653 -3.150 4.059 1.00 0.62 H new ATOM 0 HD3 ARG A 84 -10.192 -3.214 5.725 1.00 0.62 H new ATOM 0 HE ARG A 84 -11.704 -2.242 3.424 1.00 0.94 H new ATOM 0 HH11 ARG A 84 -11.313 -2.055 6.932 1.00 2.15 H new ATOM 0 HH12 ARG A 84 -12.982 -1.544 7.204 1.00 2.15 H new ATOM 0 HH21 ARG A 84 -13.840 -1.586 3.785 1.00 1.99 H new ATOM 0 HH22 ARG A 84 -14.407 -1.280 5.430 1.00 1.99 H new ATOM 1246 N GLN A 85 -6.071 -0.313 8.557 1.00 0.62 N ATOM 1247 CA GLN A 85 -5.221 -0.638 9.698 1.00 0.69 C ATOM 1248 C GLN A 85 -4.919 0.606 10.531 1.00 0.73 C ATOM 1249 O GLN A 85 -4.727 0.521 11.743 1.00 0.88 O ATOM 1250 CB GLN A 85 -3.912 -1.273 9.224 1.00 0.73 C ATOM 1251 CG GLN A 85 -4.096 -2.303 8.122 1.00 0.66 C ATOM 1252 CD GLN A 85 -5.059 -3.408 8.511 1.00 1.55 C ATOM 1253 OE1 GLN A 85 -5.505 -3.483 9.655 1.00 2.17 O ATOM 1254 NE2 GLN A 85 -5.382 -4.273 7.558 1.00 2.19 N ATOM 0 H GLN A 85 -5.643 0.314 7.876 1.00 0.62 H new ATOM 0 HA GLN A 85 -5.760 -1.350 10.323 1.00 0.69 H new ATOM 0 HB2 GLN A 85 -3.246 -0.487 8.867 1.00 0.73 H new ATOM 0 HB3 GLN A 85 -3.420 -1.747 10.073 1.00 0.73 H new ATOM 0 HG2 GLN A 85 -4.462 -1.807 7.223 1.00 0.66 H new ATOM 0 HG3 GLN A 85 -3.129 -2.740 7.873 1.00 0.66 H new ATOM 0 HE21 GLN A 85 -4.988 -4.172 6.623 1.00 2.19 H new ATOM 0 HE22 GLN A 85 -6.025 -5.039 7.761 1.00 2.19 H new ATOM 1263 N MET A 86 -4.874 1.759 9.871 1.00 0.71 N ATOM 1264 CA MET A 86 -4.589 3.018 10.551 1.00 0.74 C ATOM 1265 C MET A 86 -5.670 3.348 11.578 1.00 0.78 C ATOM 1266 O MET A 86 -5.462 3.196 12.782 1.00 0.86 O ATOM 1267 CB MET A 86 -4.472 4.155 9.533 1.00 0.76 C ATOM 1268 CG MET A 86 -3.075 4.309 8.955 1.00 0.72 C ATOM 1269 SD MET A 86 -2.894 5.802 7.960 1.00 0.70 S ATOM 1270 CE MET A 86 -2.082 5.144 6.505 1.00 0.62 C ATOM 0 H MET A 86 -5.031 1.848 8.867 1.00 0.71 H new ATOM 0 HA MET A 86 -3.641 2.908 11.077 1.00 0.74 H new ATOM 0 HB2 MET A 86 -5.176 3.978 8.720 1.00 0.76 H new ATOM 0 HB3 MET A 86 -4.765 5.091 10.010 1.00 0.76 H new ATOM 0 HG2 MET A 86 -2.350 4.329 9.769 1.00 0.72 H new ATOM 0 HG3 MET A 86 -2.842 3.438 8.342 1.00 0.72 H new ATOM 0 HE1 MET A 86 -1.635 5.960 5.938 1.00 0.62 H new ATOM 0 HE2 MET A 86 -1.304 4.444 6.808 1.00 0.62 H new ATOM 0 HE3 MET A 86 -2.813 4.627 5.883 1.00 0.62 H new ATOM 1280 N LYS A 87 -6.821 3.804 11.094 1.00 0.78 N ATOM 1281 CA LYS A 87 -7.932 4.159 11.970 1.00 0.86 C ATOM 1282 C LYS A 87 -8.433 2.943 12.743 1.00 0.96 C ATOM 1283 O LYS A 87 -8.937 3.070 13.859 1.00 1.67 O ATOM 1284 CB LYS A 87 -9.075 4.768 11.155 1.00 1.10 C ATOM 1285 CG LYS A 87 -8.612 5.782 10.121 1.00 1.20 C ATOM 1286 CD LYS A 87 -8.824 5.276 8.703 1.00 1.52 C ATOM 1287 CE LYS A 87 -10.287 4.961 8.432 1.00 2.53 C ATOM 1288 NZ LYS A 87 -10.870 5.869 7.408 1.00 3.37 N ATOM 0 H LYS A 87 -7.009 3.936 10.100 1.00 0.78 H new ATOM 0 HA LYS A 87 -7.572 4.896 12.688 1.00 0.86 H new ATOM 0 HB2 LYS A 87 -9.617 3.968 10.650 1.00 1.10 H new ATOM 0 HB3 LYS A 87 -9.778 5.250 11.834 1.00 1.10 H new ATOM 0 HG2 LYS A 87 -9.156 6.717 10.259 1.00 1.20 H new ATOM 0 HG3 LYS A 87 -7.556 6.002 10.275 1.00 1.20 H new ATOM 0 HD2 LYS A 87 -8.475 6.026 7.993 1.00 1.52 H new ATOM 0 HD3 LYS A 87 -8.223 4.381 8.542 1.00 1.52 H new ATOM 0 HE2 LYS A 87 -10.380 3.928 8.096 1.00 2.53 H new ATOM 0 HE3 LYS A 87 -10.854 5.047 9.359 1.00 2.53 H new ATOM 0 HZ1 LYS A 87 -11.509 5.330 6.789 1.00 3.37 H new ATOM 0 HZ2 LYS A 87 -11.403 6.627 7.880 1.00 3.37 H new ATOM 0 HZ3 LYS A 87 -10.106 6.286 6.838 1.00 3.37 H new ATOM 1384 N SER B 117 1.823 2.213 10.489 1.00 0.84 N ATOM 1385 CA SER B 117 2.773 3.235 10.068 1.00 0.82 C ATOM 1386 C SER B 117 3.726 2.688 9.011 1.00 0.85 C ATOM 1387 O SER B 117 4.876 2.363 9.305 1.00 1.40 O ATOM 1388 CB SER B 117 3.566 3.750 11.272 1.00 1.04 C ATOM 1389 OG SER B 117 4.487 2.774 11.731 1.00 1.17 O ATOM 0 HA SER B 117 2.212 4.061 9.632 1.00 0.82 H new ATOM 0 HB2 SER B 117 4.101 4.659 10.997 1.00 1.04 H new ATOM 0 HB3 SER B 117 2.880 4.015 12.077 1.00 1.04 H new ATOM 0 HG SER B 117 5.141 2.584 11.026 1.00 1.17 H new ATOM 1395 N ALA B 118 3.238 2.591 7.778 1.00 0.78 N ATOM 1396 CA ALA B 118 4.046 2.084 6.675 1.00 0.70 C ATOM 1397 C ALA B 118 4.798 3.211 5.970 1.00 0.72 C ATOM 1398 O ALA B 118 5.348 3.016 4.886 1.00 0.70 O ATOM 1399 CB ALA B 118 3.170 1.333 5.684 1.00 0.62 C ATOM 0 H ALA B 118 2.288 2.857 7.518 1.00 0.78 H new ATOM 0 HA ALA B 118 4.785 1.398 7.089 1.00 0.70 H new ATOM 0 HB1 ALA B 118 3.785 0.959 4.865 1.00 0.62 H new ATOM 0 HB2 ALA B 118 2.688 0.495 6.187 1.00 0.62 H new ATOM 0 HB3 ALA B 118 2.409 2.006 5.289 1.00 0.62 H new ATOM 1405 N ASP B 119 4.824 4.389 6.589 1.00 0.78 N ATOM 1406 CA ASP B 119 5.514 5.539 6.015 1.00 0.84 C ATOM 1407 C ASP B 119 6.987 5.225 5.773 1.00 0.86 C ATOM 1408 O ASP B 119 7.620 5.813 4.895 1.00 0.89 O ATOM 1409 CB ASP B 119 5.383 6.752 6.938 1.00 0.91 C ATOM 1410 CG ASP B 119 5.472 8.065 6.183 1.00 0.97 C ATOM 1411 OD1 ASP B 119 4.562 8.348 5.376 1.00 1.45 O ATOM 1412 OD2 ASP B 119 6.451 8.809 6.400 1.00 1.46 O ATOM 0 H ASP B 119 4.376 4.571 7.487 1.00 0.78 H new ATOM 0 HA ASP B 119 5.049 5.769 5.057 1.00 0.84 H new ATOM 0 HB2 ASP B 119 4.430 6.703 7.465 1.00 0.91 H new ATOM 0 HB3 ASP B 119 6.168 6.717 7.694 1.00 0.91 H new ATOM 1417 N ALA B 120 7.528 4.294 6.553 1.00 0.84 N ATOM 1418 CA ALA B 120 8.925 3.902 6.420 1.00 0.87 C ATOM 1419 C ALA B 120 9.225 3.425 5.003 1.00 0.84 C ATOM 1420 O ALA B 120 9.995 4.053 4.275 1.00 0.88 O ATOM 1421 CB ALA B 120 9.268 2.816 7.428 1.00 0.88 C ATOM 0 H ALA B 120 7.019 3.797 7.284 1.00 0.84 H new ATOM 0 HA ALA B 120 9.544 4.776 6.622 1.00 0.87 H new ATOM 0 HB1 ALA B 120 10.315 2.534 7.316 1.00 0.88 H new ATOM 0 HB2 ALA B 120 9.099 3.190 8.438 1.00 0.88 H new ATOM 0 HB3 ALA B 120 8.637 1.945 7.253 1.00 0.88 H new ATOM 1427 N MET B 121 8.608 2.313 4.615 1.00 0.80 N ATOM 1428 CA MET B 121 8.806 1.756 3.283 1.00 0.78 C ATOM 1429 C MET B 121 8.345 2.741 2.214 1.00 0.78 C ATOM 1430 O MET B 121 8.949 2.844 1.146 1.00 0.81 O ATOM 1431 CB MET B 121 8.043 0.438 3.140 1.00 0.74 C ATOM 1432 CG MET B 121 8.222 -0.225 1.783 1.00 0.78 C ATOM 1433 SD MET B 121 6.765 -1.153 1.268 1.00 0.87 S ATOM 1434 CE MET B 121 5.554 0.160 1.140 1.00 0.75 C ATOM 0 H MET B 121 7.967 1.781 5.204 1.00 0.80 H new ATOM 0 HA MET B 121 9.871 1.567 3.147 1.00 0.78 H new ATOM 0 HB2 MET B 121 8.374 -0.250 3.918 1.00 0.74 H new ATOM 0 HB3 MET B 121 6.982 0.622 3.308 1.00 0.74 H new ATOM 0 HG2 MET B 121 8.445 0.537 1.037 1.00 0.78 H new ATOM 0 HG3 MET B 121 9.081 -0.895 1.821 1.00 0.78 H new ATOM 0 HE1 MET B 121 4.841 -0.078 0.351 1.00 0.75 H new ATOM 0 HE2 MET B 121 5.026 0.261 2.088 1.00 0.75 H new ATOM 0 HE3 MET B 121 6.057 1.097 0.903 1.00 0.75 H new ATOM 1444 N LEU B 122 7.272 3.466 2.513 1.00 0.76 N ATOM 1445 CA LEU B 122 6.728 4.446 1.581 1.00 0.78 C ATOM 1446 C LEU B 122 7.715 5.590 1.366 1.00 0.84 C ATOM 1447 O LEU B 122 7.836 6.119 0.261 1.00 0.87 O ATOM 1448 CB LEU B 122 5.399 4.994 2.106 1.00 0.76 C ATOM 1449 CG LEU B 122 4.158 4.209 1.677 1.00 0.67 C ATOM 1450 CD1 LEU B 122 4.223 2.780 2.191 1.00 0.75 C ATOM 1451 CD2 LEU B 122 2.896 4.899 2.173 1.00 0.56 C ATOM 0 H LEU B 122 6.762 3.393 3.393 1.00 0.76 H new ATOM 0 HA LEU B 122 6.556 3.951 0.625 1.00 0.78 H new ATOM 0 HB2 LEU B 122 5.438 5.015 3.195 1.00 0.76 H new ATOM 0 HB3 LEU B 122 5.291 6.025 1.770 1.00 0.76 H new ATOM 0 HG LEU B 122 4.130 4.178 0.588 1.00 0.67 H new ATOM 0 HD11 LEU B 122 3.331 2.239 1.875 1.00 0.75 H new ATOM 0 HD12 LEU B 122 5.108 2.288 1.787 1.00 0.75 H new ATOM 0 HD13 LEU B 122 4.277 2.787 3.280 1.00 0.75 H new ATOM 0 HD21 LEU B 122 2.022 4.328 1.860 1.00 0.56 H new ATOM 0 HD22 LEU B 122 2.918 4.960 3.261 1.00 0.56 H new ATOM 0 HD23 LEU B 122 2.842 5.904 1.754 1.00 0.56 H new ATOM 1463 N ARG B 123 8.417 5.965 2.430 1.00 0.87 N ATOM 1464 CA ARG B 123 9.393 7.048 2.364 1.00 0.93 C ATOM 1465 C ARG B 123 10.769 6.531 1.949 1.00 0.97 C ATOM 1466 O ARG B 123 11.632 7.308 1.539 1.00 1.08 O ATOM 1467 CB ARG B 123 9.491 7.755 3.717 1.00 0.96 C ATOM 1468 CG ARG B 123 9.952 9.199 3.618 1.00 1.07 C ATOM 1469 CD ARG B 123 10.042 9.851 4.989 1.00 1.52 C ATOM 1470 NE ARG B 123 10.796 11.102 4.952 1.00 1.90 N ATOM 1471 CZ ARG B 123 11.323 11.681 6.029 1.00 2.59 C ATOM 1472 NH1 ARG B 123 11.180 11.129 7.227 1.00 3.08 N ATOM 1473 NH2 ARG B 123 11.996 12.818 5.907 1.00 3.33 N ATOM 0 H ARG B 123 8.328 5.534 3.350 1.00 0.87 H new ATOM 0 HA ARG B 123 9.053 7.757 1.609 1.00 0.93 H new ATOM 0 HB2 ARG B 123 8.516 7.726 4.204 1.00 0.96 H new ATOM 0 HB3 ARG B 123 10.182 7.205 4.356 1.00 0.96 H new ATOM 0 HG2 ARG B 123 10.926 9.238 3.131 1.00 1.07 H new ATOM 0 HG3 ARG B 123 9.259 9.761 2.992 1.00 1.07 H new ATOM 0 HD2 ARG B 123 9.037 10.044 5.365 1.00 1.52 H new ATOM 0 HD3 ARG B 123 10.517 9.162 5.688 1.00 1.52 H new ATOM 0 HE ARG B 123 10.926 11.558 4.049 1.00 1.90 H new ATOM 0 HH11 ARG B 123 10.664 10.255 7.328 1.00 3.08 H new ATOM 0 HH12 ARG B 123 11.587 11.578 8.047 1.00 3.08 H new ATOM 0 HH21 ARG B 123 12.109 13.248 4.989 1.00 3.33 H new ATOM 0 HH22 ARG B 123 12.400 13.262 6.731 1.00 3.33 H new ATOM 1487 N ALA B 124 10.971 5.220 2.057 1.00 0.93 N ATOM 1488 CA ALA B 124 12.245 4.609 1.691 1.00 0.97 C ATOM 1489 C ALA B 124 12.688 5.042 0.298 1.00 1.00 C ATOM 1490 O ALA B 124 13.616 5.837 0.149 1.00 1.09 O ATOM 1491 CB ALA B 124 12.140 3.092 1.765 1.00 0.89 C ATOM 0 H ALA B 124 10.269 4.561 2.395 1.00 0.93 H new ATOM 0 HA ALA B 124 12.998 4.949 2.402 1.00 0.97 H new ATOM 0 HB1 ALA B 124 13.096 2.647 1.490 1.00 0.89 H new ATOM 0 HB2 ALA B 124 11.880 2.794 2.781 1.00 0.89 H new ATOM 0 HB3 ALA B 124 11.368 2.747 1.077 1.00 0.89 H new ATOM 1497 N LEU B 125 12.015 4.516 -0.720 1.00 0.95 N ATOM 1498 CA LEU B 125 12.337 4.850 -2.102 1.00 1.00 C ATOM 1499 C LEU B 125 11.829 6.245 -2.459 1.00 1.05 C ATOM 1500 O LEU B 125 12.386 6.915 -3.327 1.00 1.19 O ATOM 1501 CB LEU B 125 11.733 3.813 -3.051 1.00 0.93 C ATOM 1502 CG LEU B 125 12.106 2.362 -2.746 1.00 0.88 C ATOM 1503 CD1 LEU B 125 11.108 1.409 -3.384 1.00 0.79 C ATOM 1504 CD2 LEU B 125 13.521 2.064 -3.225 1.00 0.95 C ATOM 0 H LEU B 125 11.244 3.857 -0.614 1.00 0.95 H new ATOM 0 HA LEU B 125 13.422 4.842 -2.209 1.00 1.00 H new ATOM 0 HB2 LEU B 125 10.647 3.907 -3.024 1.00 0.93 H new ATOM 0 HB3 LEU B 125 12.047 4.047 -4.068 1.00 0.93 H new ATOM 0 HG LEU B 125 12.073 2.216 -1.666 1.00 0.88 H new ATOM 0 HD11 LEU B 125 11.390 0.381 -3.156 1.00 0.79 H new ATOM 0 HD12 LEU B 125 10.112 1.608 -2.990 1.00 0.79 H new ATOM 0 HD13 LEU B 125 11.106 1.554 -4.464 1.00 0.79 H new ATOM 0 HD21 LEU B 125 13.770 1.027 -3.000 1.00 0.95 H new ATOM 0 HD22 LEU B 125 13.583 2.227 -4.301 1.00 0.95 H new ATOM 0 HD23 LEU B 125 14.224 2.725 -2.717 1.00 0.95 H new