USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -176:sc= 0.414 USER MOD Single : A 13 MET CE :methyl -175:sc= -0.026 (180deg=-0.0663) USER MOD Single : A 17 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.3!) USER MOD Single : A 18 SER OG : rot -170:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0807 (180deg=-0.412) USER MOD Single : A 27 ASN : amide:sc= 0.54 K(o=0.54,f=-0.66) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00932) USER MOD Single : A 46 MET CE :methyl -132:sc= -0.0143 (180deg=-0.216) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 145:sc= -0.0604 (180deg=-1.36!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= -0.0207 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -12.451 0.123 4.400 1.00 0.00 N ATOM 126 CA PRO A 8 -11.607 -1.006 4.741 1.00 0.00 C ATOM 127 C PRO A 8 -10.167 -0.574 4.707 1.00 0.00 C ATOM 128 O PRO A 8 -9.885 0.543 4.280 1.00 0.00 O ATOM 129 CB PRO A 8 -11.889 -1.997 3.606 1.00 0.00 C ATOM 130 CG PRO A 8 -12.128 -1.114 2.380 1.00 0.00 C ATOM 131 CD PRO A 8 -12.803 0.125 2.978 1.00 0.00 C ATOM 0 HA PRO A 8 -11.797 -1.422 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.048 -2.673 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.759 -2.616 3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.195 -0.862 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.765 -1.606 1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.454 1.035 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.884 0.085 2.842 1.00 0.00 H new ATOM 139 N LEU A 9 -9.241 -1.454 5.146 1.00 0.00 N ATOM 140 CA LEU A 9 -7.827 -1.188 5.088 1.00 0.00 C ATOM 141 C LEU A 9 -7.218 -2.470 4.598 1.00 0.00 C ATOM 142 O LEU A 9 -7.934 -3.397 4.218 1.00 0.00 O ATOM 143 CB LEU A 9 -7.191 -0.769 6.443 1.00 0.00 C ATOM 144 CG LEU A 9 -7.815 0.508 7.064 1.00 0.00 C ATOM 145 CD1 LEU A 9 -8.955 0.196 8.057 1.00 0.00 C ATOM 146 CD2 LEU A 9 -6.745 1.403 7.718 1.00 0.00 C ATOM 0 H LEU A 9 -9.475 -2.362 5.547 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.641 -0.334 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.293 -1.592 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.123 -0.605 6.296 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.260 1.060 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.353 1.128 8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.749 -0.345 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.570 -0.416 8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.220 2.288 8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.240 0.848 8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.016 1.707 6.967 1.00 0.00 H new ATOM 158 N SER A 10 -5.868 -2.541 4.586 1.00 0.00 N ATOM 159 CA SER A 10 -5.130 -3.720 4.212 1.00 0.00 C ATOM 160 C SER A 10 -4.230 -3.985 5.388 1.00 0.00 C ATOM 161 O SER A 10 -4.130 -3.167 6.302 1.00 0.00 O ATOM 162 CB SER A 10 -4.318 -3.527 2.899 1.00 0.00 C ATOM 163 OG SER A 10 -3.784 -4.750 2.399 1.00 0.00 O ATOM 0 H SER A 10 -5.271 -1.755 4.844 1.00 0.00 H new ATOM 0 HA SER A 10 -5.794 -4.557 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.961 -3.079 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.503 -2.826 3.080 1.00 0.00 H new ATOM 0 HG SER A 10 -3.285 -4.576 1.574 1.00 0.00 H new ATOM 169 N ALA A 11 -3.559 -5.159 5.389 1.00 0.00 N ATOM 170 CA ALA A 11 -2.737 -5.638 6.475 1.00 0.00 C ATOM 171 C ALA A 11 -1.461 -4.844 6.564 1.00 0.00 C ATOM 172 O ALA A 11 -1.005 -4.493 7.651 1.00 0.00 O ATOM 173 CB ALA A 11 -2.364 -7.121 6.281 1.00 0.00 C ATOM 0 H ALA A 11 -3.589 -5.804 4.600 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.318 -5.523 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.745 -7.453 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.272 -7.722 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.811 -7.238 5.349 1.00 0.00 H new ATOM 179 N TYR A 12 -0.878 -4.518 5.386 1.00 0.00 N ATOM 180 CA TYR A 12 0.341 -3.754 5.256 1.00 0.00 C ATOM 181 C TYR A 12 0.081 -2.313 5.631 1.00 0.00 C ATOM 182 O TYR A 12 0.948 -1.644 6.187 1.00 0.00 O ATOM 183 CB TYR A 12 0.880 -3.835 3.794 1.00 0.00 C ATOM 184 CG TYR A 12 2.180 -3.094 3.562 1.00 0.00 C ATOM 185 CD1 TYR A 12 3.248 -3.179 4.474 1.00 0.00 C ATOM 186 CD2 TYR A 12 2.338 -2.300 2.412 1.00 0.00 C ATOM 187 CE1 TYR A 12 4.444 -2.493 4.239 1.00 0.00 C ATOM 188 CE2 TYR A 12 3.534 -1.610 2.174 1.00 0.00 C ATOM 189 CZ TYR A 12 4.592 -1.714 3.086 1.00 0.00 C ATOM 190 OH TYR A 12 5.808 -1.036 2.865 1.00 0.00 O ATOM 0 H TYR A 12 -1.270 -4.797 4.487 1.00 0.00 H new ATOM 0 HA TYR A 12 1.092 -4.171 5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.022 -4.883 3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.123 -3.436 3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.143 -3.780 5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.527 -2.221 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.255 -2.565 4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.640 -0.999 1.289 1.00 0.00 H new ATOM 0 HH TYR A 12 5.735 -0.488 2.056 1.00 0.00 H new ATOM 200 N MET A 13 -1.144 -1.817 5.341 1.00 0.00 N ATOM 201 CA MET A 13 -1.532 -0.436 5.508 1.00 0.00 C ATOM 202 C MET A 13 -1.618 -0.071 6.970 1.00 0.00 C ATOM 203 O MET A 13 -1.201 1.012 7.377 1.00 0.00 O ATOM 204 CB MET A 13 -2.896 -0.167 4.826 1.00 0.00 C ATOM 205 CG MET A 13 -2.978 1.174 4.075 1.00 0.00 C ATOM 206 SD MET A 13 -2.640 1.088 2.277 1.00 0.00 S ATOM 207 CE MET A 13 -0.853 0.751 2.278 1.00 0.00 C ATOM 0 H MET A 13 -1.897 -2.400 4.975 1.00 0.00 H new ATOM 0 HA MET A 13 -0.768 0.182 5.037 1.00 0.00 H new ATOM 0 HB2 MET A 13 -3.104 -0.975 4.125 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.679 -0.194 5.584 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.974 1.593 4.221 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.271 1.869 4.528 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.481 0.759 1.254 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.338 1.518 2.857 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.667 -0.226 2.724 1.00 0.00 H new ATOM 217 N LEU A 14 -2.143 -1.011 7.792 1.00 0.00 N ATOM 218 CA LEU A 14 -2.286 -0.879 9.225 1.00 0.00 C ATOM 219 C LEU A 14 -0.938 -0.879 9.893 1.00 0.00 C ATOM 220 O LEU A 14 -0.707 -0.119 10.832 1.00 0.00 O ATOM 221 CB LEU A 14 -3.081 -2.062 9.827 1.00 0.00 C ATOM 222 CG LEU A 14 -4.590 -2.055 9.497 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.195 -3.464 9.646 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.353 -1.035 10.363 1.00 0.00 C ATOM 0 H LEU A 14 -2.485 -1.906 7.443 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.813 0.059 9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.648 -2.995 9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.959 -2.051 10.910 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.696 -1.749 8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.258 -3.431 9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.692 -4.150 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.064 -3.810 10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.412 -1.057 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.232 -1.289 11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.956 -0.036 10.183 1.00 0.00 H new ATOM 236 N TRP A 15 -0.014 -1.742 9.406 1.00 0.00 N ATOM 237 CA TRP A 15 1.300 -1.926 9.973 1.00 0.00 C ATOM 238 C TRP A 15 2.168 -0.713 9.731 1.00 0.00 C ATOM 239 O TRP A 15 2.975 -0.362 10.588 1.00 0.00 O ATOM 240 CB TRP A 15 1.997 -3.191 9.406 1.00 0.00 C ATOM 241 CG TRP A 15 3.375 -3.489 9.981 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.718 -4.127 11.141 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.602 -3.004 9.408 1.00 0.00 C ATOM 244 NE1 TRP A 15 5.082 -4.083 11.326 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.644 -3.381 10.282 1.00 0.00 C ATOM 246 CE3 TRP A 15 4.858 -2.268 8.254 1.00 0.00 C ATOM 247 CZ2 TRP A 15 6.961 -3.017 10.021 1.00 0.00 C ATOM 248 CZ3 TRP A 15 6.180 -1.878 8.008 1.00 0.00 C ATOM 249 CH2 TRP A 15 7.214 -2.241 8.881 1.00 0.00 C ATOM 0 H TRP A 15 -0.186 -2.331 8.591 1.00 0.00 H new ATOM 0 HA TRP A 15 1.168 -2.060 11.047 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.353 -4.052 9.586 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.089 -3.081 8.325 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.019 -4.598 11.816 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.591 -4.500 12.105 1.00 0.00 H new ATOM 0 HE3 TRP A 15 4.063 -2.007 7.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.763 -3.323 10.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.406 -1.288 7.132 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.223 -1.918 8.672 1.00 0.00 H new ATOM 260 N LEU A 16 2.011 -0.034 8.568 1.00 0.00 N ATOM 261 CA LEU A 16 2.782 1.144 8.222 1.00 0.00 C ATOM 262 C LEU A 16 2.464 2.289 9.137 1.00 0.00 C ATOM 263 O LEU A 16 3.360 3.040 9.506 1.00 0.00 O ATOM 264 CB LEU A 16 2.523 1.655 6.782 1.00 0.00 C ATOM 265 CG LEU A 16 3.266 0.877 5.673 1.00 0.00 C ATOM 266 CD1 LEU A 16 2.742 1.303 4.289 1.00 0.00 C ATOM 267 CD2 LEU A 16 4.796 1.061 5.760 1.00 0.00 C ATOM 0 H LEU A 16 1.337 -0.305 7.852 1.00 0.00 H new ATOM 0 HA LEU A 16 3.820 0.824 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.452 1.609 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.813 2.704 6.727 1.00 0.00 H new ATOM 0 HG LEU A 16 3.065 -0.184 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.271 0.750 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.675 1.090 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.908 2.371 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.276 0.496 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.042 2.118 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.152 0.699 6.725 1.00 0.00 H new ATOM 279 N ASN A 17 1.179 2.437 9.528 1.00 0.00 N ATOM 280 CA ASN A 17 0.720 3.523 10.365 1.00 0.00 C ATOM 281 C ASN A 17 1.100 3.273 11.802 1.00 0.00 C ATOM 282 O ASN A 17 1.287 4.217 12.567 1.00 0.00 O ATOM 283 CB ASN A 17 -0.818 3.711 10.299 1.00 0.00 C ATOM 284 CG ASN A 17 -1.238 4.190 8.899 1.00 0.00 C ATOM 285 OD1 ASN A 17 -0.439 4.773 8.157 1.00 0.00 O ATOM 286 ND2 ASN A 17 -2.535 3.944 8.548 1.00 0.00 N ATOM 0 H ASN A 17 0.438 1.789 9.259 1.00 0.00 H new ATOM 0 HA ASN A 17 1.199 4.426 9.988 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.316 2.770 10.534 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.135 4.436 11.049 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.883 4.245 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.155 3.459 9.196 1.00 0.00 H new ATOM 293 N SER A 18 1.236 1.984 12.194 1.00 0.00 N ATOM 294 CA SER A 18 1.583 1.578 13.536 1.00 0.00 C ATOM 295 C SER A 18 3.066 1.783 13.748 1.00 0.00 C ATOM 296 O SER A 18 3.475 2.518 14.645 1.00 0.00 O ATOM 297 CB SER A 18 1.198 0.094 13.790 1.00 0.00 C ATOM 298 OG SER A 18 1.381 -0.290 15.150 1.00 0.00 O ATOM 0 H SER A 18 1.101 1.198 11.558 1.00 0.00 H new ATOM 0 HA SER A 18 1.024 2.188 14.245 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.157 -0.062 13.508 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.801 -0.550 13.149 1.00 0.00 H new ATOM 0 HG SER A 18 1.280 -1.261 15.232 1.00 0.00 H new ATOM 304 N ALA A 19 3.900 1.132 12.907 1.00 0.00 N ATOM 305 CA ALA A 19 5.336 1.139 13.021 1.00 0.00 C ATOM 306 C ALA A 19 5.892 2.177 12.087 1.00 0.00 C ATOM 307 O ALA A 19 6.767 1.889 11.275 1.00 0.00 O ATOM 308 CB ALA A 19 5.937 -0.231 12.639 1.00 0.00 C ATOM 0 H ALA A 19 3.563 0.580 12.118 1.00 0.00 H new ATOM 0 HA ALA A 19 5.596 1.359 14.056 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.022 -0.192 12.736 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.541 -1.000 13.302 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.673 -0.470 11.609 1.00 0.00 H new ATOM 314 N ARG A 20 5.391 3.428 12.189 1.00 0.00 N ATOM 315 CA ARG A 20 5.790 4.513 11.326 1.00 0.00 C ATOM 316 C ARG A 20 6.910 5.253 11.999 1.00 0.00 C ATOM 317 O ARG A 20 7.916 5.606 11.384 1.00 0.00 O ATOM 318 CB ARG A 20 4.627 5.502 11.078 1.00 0.00 C ATOM 319 CG ARG A 20 4.739 6.234 9.733 1.00 0.00 C ATOM 320 CD ARG A 20 3.619 7.257 9.504 1.00 0.00 C ATOM 321 NE ARG A 20 3.862 8.430 10.416 1.00 0.00 N ATOM 322 CZ ARG A 20 4.082 9.709 9.979 1.00 0.00 C ATOM 323 NH1 ARG A 20 3.977 10.040 8.659 1.00 0.00 N ATOM 324 NH2 ARG A 20 4.415 10.668 10.893 1.00 0.00 N ATOM 0 H ARG A 20 4.694 3.694 12.885 1.00 0.00 H new ATOM 0 HA ARG A 20 6.097 4.101 10.365 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.682 4.959 11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.603 6.236 11.884 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.702 6.742 9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.723 5.501 8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.606 7.581 8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.647 6.809 9.711 1.00 0.00 H new ATOM 0 HE ARG A 20 3.863 8.262 11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.730 9.327 7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.146 11.000 8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.496 10.425 11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.583 11.627 10.588 1.00 0.00 H new ATOM 338 N GLU A 21 6.725 5.495 13.316 1.00 0.00 N ATOM 339 CA GLU A 21 7.564 6.326 14.140 1.00 0.00 C ATOM 340 C GLU A 21 8.862 5.630 14.446 1.00 0.00 C ATOM 341 O GLU A 21 9.881 6.290 14.637 1.00 0.00 O ATOM 342 CB GLU A 21 6.872 6.701 15.478 1.00 0.00 C ATOM 343 CG GLU A 21 5.855 7.865 15.382 1.00 0.00 C ATOM 344 CD GLU A 21 4.749 7.600 14.360 1.00 0.00 C ATOM 345 OE1 GLU A 21 4.018 6.588 14.529 1.00 0.00 O ATOM 346 OE2 GLU A 21 4.634 8.399 13.389 1.00 0.00 O ATOM 0 H GLU A 21 5.947 5.088 13.835 1.00 0.00 H new ATOM 0 HA GLU A 21 7.753 7.239 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.359 5.820 15.864 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.639 6.967 16.205 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.407 8.032 16.361 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.381 8.781 15.112 1.00 0.00 H new ATOM 353 N SER A 22 8.857 4.277 14.480 1.00 0.00 N ATOM 354 CA SER A 22 10.020 3.473 14.779 1.00 0.00 C ATOM 355 C SER A 22 10.988 3.463 13.619 1.00 0.00 C ATOM 356 O SER A 22 12.200 3.409 13.820 1.00 0.00 O ATOM 357 CB SER A 22 9.638 2.019 15.157 1.00 0.00 C ATOM 358 OG SER A 22 8.757 1.432 14.204 1.00 0.00 O ATOM 0 H SER A 22 8.021 3.723 14.294 1.00 0.00 H new ATOM 0 HA SER A 22 10.504 3.931 15.641 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.542 1.415 15.234 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.166 2.012 16.139 1.00 0.00 H new ATOM 0 HG SER A 22 8.542 0.516 14.478 1.00 0.00 H new ATOM 364 N ILE A 23 10.461 3.542 12.370 1.00 0.00 N ATOM 365 CA ILE A 23 11.242 3.516 11.152 1.00 0.00 C ATOM 366 C ILE A 23 12.024 4.799 11.041 1.00 0.00 C ATOM 367 O ILE A 23 13.216 4.761 10.743 1.00 0.00 O ATOM 368 CB ILE A 23 10.377 3.265 9.912 1.00 0.00 C ATOM 369 CG1 ILE A 23 9.838 1.812 9.975 1.00 0.00 C ATOM 370 CG2 ILE A 23 11.161 3.518 8.599 1.00 0.00 C ATOM 371 CD1 ILE A 23 8.852 1.448 8.858 1.00 0.00 C ATOM 0 H ILE A 23 9.459 3.627 12.201 1.00 0.00 H new ATOM 0 HA ILE A 23 11.937 2.678 11.201 1.00 0.00 H new ATOM 0 HB ILE A 23 9.544 3.968 9.909 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.682 1.123 9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.348 1.661 10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.511 3.329 7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.502 4.553 8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.022 2.851 8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.528 0.415 8.981 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.986 2.108 8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.340 1.562 7.890 1.00 0.00 H new ATOM 383 N LYS A 24 11.387 5.969 11.300 1.00 0.00 N ATOM 384 CA LYS A 24 12.028 7.250 11.089 1.00 0.00 C ATOM 385 C LYS A 24 13.067 7.574 12.135 1.00 0.00 C ATOM 386 O LYS A 24 13.892 8.461 11.926 1.00 0.00 O ATOM 387 CB LYS A 24 11.029 8.422 10.890 1.00 0.00 C ATOM 388 CG LYS A 24 10.133 8.824 12.079 1.00 0.00 C ATOM 389 CD LYS A 24 10.811 9.744 13.113 1.00 0.00 C ATOM 390 CE LYS A 24 9.833 10.484 14.036 1.00 0.00 C ATOM 391 NZ LYS A 24 9.035 9.537 14.843 1.00 0.00 N ATOM 0 H LYS A 24 10.432 6.030 11.654 1.00 0.00 H new ATOM 0 HA LYS A 24 12.558 7.137 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.601 9.301 10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.378 8.167 10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.245 9.325 11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.795 7.919 12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.488 9.147 13.724 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.420 10.478 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.387 11.151 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.167 11.107 13.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.645 10.030 15.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.256 9.160 14.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.642 8.754 15.160 1.00 0.00 H new ATOM 405 N ARG A 25 13.073 6.835 13.273 1.00 0.00 N ATOM 406 CA ARG A 25 14.091 6.947 14.293 1.00 0.00 C ATOM 407 C ARG A 25 15.353 6.285 13.808 1.00 0.00 C ATOM 408 O ARG A 25 16.435 6.861 13.898 1.00 0.00 O ATOM 409 CB ARG A 25 13.692 6.251 15.617 1.00 0.00 C ATOM 410 CG ARG A 25 12.659 7.037 16.441 1.00 0.00 C ATOM 411 CD ARG A 25 12.200 6.254 17.682 1.00 0.00 C ATOM 412 NE ARG A 25 11.254 7.109 18.484 1.00 0.00 N ATOM 413 CZ ARG A 25 11.366 7.321 19.833 1.00 0.00 C ATOM 414 NH1 ARG A 25 12.377 6.765 20.561 1.00 0.00 N ATOM 415 NH2 ARG A 25 10.442 8.106 20.466 1.00 0.00 N ATOM 0 H ARG A 25 12.355 6.144 13.490 1.00 0.00 H new ATOM 0 HA ARG A 25 14.227 8.012 14.483 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.289 5.264 15.391 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.586 6.099 16.221 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.090 7.989 16.751 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.795 7.267 15.817 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.708 5.329 17.382 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.061 5.974 18.290 1.00 0.00 H new ATOM 0 HE ARG A 25 10.482 7.558 17.992 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.072 6.176 20.102 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.438 6.938 21.564 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.680 8.526 19.934 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.515 8.271 21.470 1.00 0.00 H new ATOM 429 N GLU A 26 15.228 5.043 13.282 1.00 0.00 N ATOM 430 CA GLU A 26 16.355 4.214 12.928 1.00 0.00 C ATOM 431 C GLU A 26 16.690 4.353 11.463 1.00 0.00 C ATOM 432 O GLU A 26 17.267 3.445 10.865 1.00 0.00 O ATOM 433 CB GLU A 26 16.078 2.726 13.248 1.00 0.00 C ATOM 434 CG GLU A 26 15.765 2.493 14.739 1.00 0.00 C ATOM 435 CD GLU A 26 15.593 0.997 14.994 1.00 0.00 C ATOM 436 OE1 GLU A 26 14.645 0.404 14.413 1.00 0.00 O ATOM 437 OE2 GLU A 26 16.407 0.430 15.772 1.00 0.00 O ATOM 0 H GLU A 26 14.325 4.605 13.098 1.00 0.00 H new ATOM 0 HA GLU A 26 17.203 4.553 13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 26 15.239 2.378 12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.945 2.129 12.964 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.571 2.888 15.357 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.857 3.028 15.019 1.00 0.00 H new ATOM 444 N ASN A 27 16.362 5.515 10.855 1.00 0.00 N ATOM 445 CA ASN A 27 16.781 5.865 9.519 1.00 0.00 C ATOM 446 C ASN A 27 17.269 7.287 9.650 1.00 0.00 C ATOM 447 O ASN A 27 16.803 7.985 10.550 1.00 0.00 O ATOM 448 CB ASN A 27 15.639 5.826 8.469 1.00 0.00 C ATOM 449 CG ASN A 27 15.493 4.418 7.875 1.00 0.00 C ATOM 450 OD1 ASN A 27 15.978 4.169 6.765 1.00 0.00 O ATOM 451 ND2 ASN A 27 14.815 3.497 8.619 1.00 0.00 N ATOM 0 H ASN A 27 15.790 6.232 11.302 1.00 0.00 H new ATOM 0 HA ASN A 27 17.524 5.151 9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 27 14.701 6.129 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.846 6.542 7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.688 2.549 8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.435 3.757 9.529 1.00 0.00 H new ATOM 458 N PRO A 28 18.205 7.764 8.825 1.00 0.00 N ATOM 459 CA PRO A 28 18.838 9.064 8.998 1.00 0.00 C ATOM 460 C PRO A 28 18.021 10.160 8.339 1.00 0.00 C ATOM 461 O PRO A 28 18.530 10.835 7.444 1.00 0.00 O ATOM 462 CB PRO A 28 20.188 8.880 8.281 1.00 0.00 C ATOM 463 CG PRO A 28 19.882 7.909 7.137 1.00 0.00 C ATOM 464 CD PRO A 28 18.858 6.972 7.776 1.00 0.00 C ATOM 0 HA PRO A 28 18.937 9.361 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 28 20.571 9.829 7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 28 20.944 8.475 8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 28 19.476 8.422 6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 28 20.773 7.375 6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.134 6.621 7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 28 19.341 6.089 8.194 1.00 0.00 H new ATOM 472 N GLY A 29 16.760 10.375 8.775 1.00 0.00 N ATOM 473 CA GLY A 29 15.925 11.441 8.274 1.00 0.00 C ATOM 474 C GLY A 29 15.286 11.008 6.990 1.00 0.00 C ATOM 475 O GLY A 29 15.552 11.566 5.926 1.00 0.00 O ATOM 0 H GLY A 29 16.309 9.801 9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.159 11.694 9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.521 12.339 8.112 1.00 0.00 H new ATOM 479 N ILE A 30 14.412 9.981 7.083 1.00 0.00 N ATOM 480 CA ILE A 30 13.713 9.408 5.962 1.00 0.00 C ATOM 481 C ILE A 30 12.451 10.211 5.770 1.00 0.00 C ATOM 482 O ILE A 30 11.902 10.752 6.731 1.00 0.00 O ATOM 483 CB ILE A 30 13.449 7.917 6.186 1.00 0.00 C ATOM 484 CG1 ILE A 30 12.964 7.189 4.914 1.00 0.00 C ATOM 485 CG2 ILE A 30 12.512 7.691 7.394 1.00 0.00 C ATOM 486 CD1 ILE A 30 13.002 5.662 5.023 1.00 0.00 C ATOM 0 H ILE A 30 14.183 9.533 7.970 1.00 0.00 H new ATOM 0 HA ILE A 30 14.311 9.458 5.052 1.00 0.00 H new ATOM 0 HB ILE A 30 14.409 7.460 6.428 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.944 7.503 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.582 7.499 4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.343 6.623 7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.972 8.101 8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.559 8.189 7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.647 5.222 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.025 5.336 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.361 5.340 5.844 1.00 0.00 H new ATOM 498 N LYS A 31 11.976 10.336 4.507 1.00 0.00 N ATOM 499 CA LYS A 31 10.786 11.089 4.183 1.00 0.00 C ATOM 500 C LYS A 31 9.628 10.141 4.328 1.00 0.00 C ATOM 501 O LYS A 31 9.811 8.927 4.378 1.00 0.00 O ATOM 502 CB LYS A 31 10.776 11.697 2.755 1.00 0.00 C ATOM 503 CG LYS A 31 11.709 12.911 2.555 1.00 0.00 C ATOM 504 CD LYS A 31 13.215 12.596 2.529 1.00 0.00 C ATOM 505 CE LYS A 31 14.084 13.826 2.235 1.00 0.00 C ATOM 506 NZ LYS A 31 15.521 13.466 2.240 1.00 0.00 N ATOM 0 H LYS A 31 12.424 9.908 3.697 1.00 0.00 H new ATOM 0 HA LYS A 31 10.733 11.944 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.058 10.920 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.757 11.997 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.442 13.401 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.520 13.627 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.508 12.173 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.407 11.834 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.813 14.246 1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.895 14.598 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.092 14.312 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.781 13.087 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.701 12.746 1.511 1.00 0.00 H new ATOM 520 N VAL A 32 8.399 10.696 4.427 1.00 0.00 N ATOM 521 CA VAL A 32 7.210 9.979 4.827 1.00 0.00 C ATOM 522 C VAL A 32 6.724 9.022 3.763 1.00 0.00 C ATOM 523 O VAL A 32 6.092 8.015 4.074 1.00 0.00 O ATOM 524 CB VAL A 32 6.084 10.917 5.247 1.00 0.00 C ATOM 525 CG1 VAL A 32 6.512 11.637 6.545 1.00 0.00 C ATOM 526 CG2 VAL A 32 5.728 11.920 4.127 1.00 0.00 C ATOM 0 H VAL A 32 8.223 11.680 4.222 1.00 0.00 H new ATOM 0 HA VAL A 32 7.502 9.390 5.696 1.00 0.00 H new ATOM 0 HB VAL A 32 5.178 10.340 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.720 12.314 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.695 10.900 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.424 12.206 6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.922 12.571 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.604 12.522 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.407 11.375 3.239 1.00 0.00 H new ATOM 536 N THR A 33 7.039 9.306 2.478 1.00 0.00 N ATOM 537 CA THR A 33 6.643 8.497 1.346 1.00 0.00 C ATOM 538 C THR A 33 7.559 7.295 1.262 1.00 0.00 C ATOM 539 O THR A 33 7.151 6.211 0.848 1.00 0.00 O ATOM 540 CB THR A 33 6.708 9.289 0.047 1.00 0.00 C ATOM 541 OG1 THR A 33 6.075 10.554 0.213 1.00 0.00 O ATOM 542 CG2 THR A 33 6.029 8.530 -1.114 1.00 0.00 C ATOM 0 H THR A 33 7.587 10.125 2.214 1.00 0.00 H new ATOM 0 HA THR A 33 5.610 8.177 1.487 1.00 0.00 H new ATOM 0 HB THR A 33 7.760 9.429 -0.200 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.123 11.057 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.094 9.125 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.531 7.575 -1.267 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.981 8.354 -0.870 1.00 0.00 H new ATOM 550 N GLU A 34 8.830 7.471 1.694 1.00 0.00 N ATOM 551 CA GLU A 34 9.870 6.472 1.618 1.00 0.00 C ATOM 552 C GLU A 34 9.761 5.461 2.739 1.00 0.00 C ATOM 553 O GLU A 34 10.492 4.473 2.753 1.00 0.00 O ATOM 554 CB GLU A 34 11.271 7.114 1.701 1.00 0.00 C ATOM 555 CG GLU A 34 11.544 8.161 0.608 1.00 0.00 C ATOM 556 CD GLU A 34 12.943 8.740 0.812 1.00 0.00 C ATOM 557 OE1 GLU A 34 13.212 9.254 1.932 1.00 0.00 O ATOM 558 OE2 GLU A 34 13.759 8.677 -0.144 1.00 0.00 O ATOM 0 H GLU A 34 9.148 8.345 2.114 1.00 0.00 H new ATOM 0 HA GLU A 34 9.739 5.973 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.387 7.584 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.024 6.329 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.466 7.704 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.798 8.955 0.652 1.00 0.00 H new ATOM 565 N VAL A 35 8.812 5.661 3.689 1.00 0.00 N ATOM 566 CA VAL A 35 8.512 4.725 4.756 1.00 0.00 C ATOM 567 C VAL A 35 7.812 3.522 4.159 1.00 0.00 C ATOM 568 O VAL A 35 7.970 2.401 4.636 1.00 0.00 O ATOM 569 CB VAL A 35 7.655 5.352 5.857 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.336 4.339 6.978 1.00 0.00 C ATOM 571 CG2 VAL A 35 8.419 6.558 6.442 1.00 0.00 C ATOM 0 H VAL A 35 8.233 6.500 3.718 1.00 0.00 H new ATOM 0 HA VAL A 35 9.448 4.426 5.227 1.00 0.00 H new ATOM 0 HB VAL A 35 6.706 5.670 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.726 4.821 7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.791 3.493 6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.265 3.987 7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.823 7.019 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.369 6.221 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.605 7.288 5.654 1.00 0.00 H new ATOM 581 N ALA A 36 7.055 3.729 3.053 1.00 0.00 N ATOM 582 CA ALA A 36 6.355 2.680 2.348 1.00 0.00 C ATOM 583 C ALA A 36 7.288 1.864 1.482 1.00 0.00 C ATOM 584 O ALA A 36 6.901 0.808 0.986 1.00 0.00 O ATOM 585 CB ALA A 36 5.248 3.244 1.437 1.00 0.00 C ATOM 0 H ALA A 36 6.926 4.651 2.637 1.00 0.00 H new ATOM 0 HA ALA A 36 5.917 2.048 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.745 2.424 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.525 3.793 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.690 3.915 0.701 1.00 0.00 H new ATOM 591 N LYS A 37 8.544 2.334 1.289 1.00 0.00 N ATOM 592 CA LYS A 37 9.552 1.638 0.526 1.00 0.00 C ATOM 593 C LYS A 37 10.352 0.793 1.477 1.00 0.00 C ATOM 594 O LYS A 37 10.481 -0.417 1.291 1.00 0.00 O ATOM 595 CB LYS A 37 10.504 2.612 -0.215 1.00 0.00 C ATOM 596 CG LYS A 37 11.564 1.916 -1.089 1.00 0.00 C ATOM 597 CD LYS A 37 12.470 2.906 -1.840 1.00 0.00 C ATOM 598 CE LYS A 37 13.598 2.232 -2.636 1.00 0.00 C ATOM 599 NZ LYS A 37 13.062 1.346 -3.698 1.00 0.00 N ATOM 0 H LYS A 37 8.868 3.222 1.673 1.00 0.00 H new ATOM 0 HA LYS A 37 9.056 1.031 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.910 3.275 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.010 3.238 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.180 1.274 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.064 1.270 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.859 3.497 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.908 3.599 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.234 2.995 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.225 1.652 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.850 0.947 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.517 0.574 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.443 1.895 -4.328 1.00 0.00 H new ATOM 613 N ARG A 38 10.922 1.425 2.533 1.00 0.00 N ATOM 614 CA ARG A 38 11.870 0.791 3.423 1.00 0.00 C ATOM 615 C ARG A 38 11.173 -0.156 4.367 1.00 0.00 C ATOM 616 O ARG A 38 11.748 -1.150 4.808 1.00 0.00 O ATOM 617 CB ARG A 38 12.680 1.831 4.245 1.00 0.00 C ATOM 618 CG ARG A 38 13.966 1.273 4.890 1.00 0.00 C ATOM 619 CD ARG A 38 15.047 0.893 3.862 1.00 0.00 C ATOM 620 NE ARG A 38 16.124 0.087 4.526 1.00 0.00 N ATOM 621 CZ ARG A 38 17.247 0.627 5.093 1.00 0.00 C ATOM 622 NH1 ARG A 38 17.412 1.979 5.187 1.00 0.00 N ATOM 623 NH2 ARG A 38 18.220 -0.204 5.569 1.00 0.00 N ATOM 0 H ARG A 38 10.722 2.395 2.775 1.00 0.00 H new ATOM 0 HA ARG A 38 12.564 0.233 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.947 2.663 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.040 2.234 5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.372 2.016 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.715 0.394 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.602 0.320 3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.474 1.794 3.421 1.00 0.00 H new ATOM 0 HE ARG A 38 16.013 -0.926 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.691 2.607 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.256 2.361 5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.106 -1.215 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.061 0.186 5.994 1.00 0.00 H new ATOM 637 N GLY A 39 9.882 0.117 4.663 1.00 0.00 N ATOM 638 CA GLY A 39 9.072 -0.700 5.532 1.00 0.00 C ATOM 639 C GLY A 39 8.564 -1.931 4.836 1.00 0.00 C ATOM 640 O GLY A 39 7.943 -2.779 5.470 1.00 0.00 O ATOM 0 H GLY A 39 9.387 0.927 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.657 -0.992 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.227 -0.115 5.896 1.00 0.00 H new ATOM 644 N GLY A 40 8.836 -2.078 3.517 1.00 0.00 N ATOM 645 CA GLY A 40 8.457 -3.237 2.742 1.00 0.00 C ATOM 646 C GLY A 40 9.400 -4.372 3.004 1.00 0.00 C ATOM 647 O GLY A 40 9.035 -5.540 2.875 1.00 0.00 O ATOM 0 H GLY A 40 9.333 -1.373 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.440 -3.535 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.461 -2.990 1.680 1.00 0.00 H new ATOM 651 N GLU A 41 10.648 -4.035 3.410 1.00 0.00 N ATOM 652 CA GLU A 41 11.687 -4.972 3.771 1.00 0.00 C ATOM 653 C GLU A 41 11.342 -5.589 5.101 1.00 0.00 C ATOM 654 O GLU A 41 11.460 -6.797 5.299 1.00 0.00 O ATOM 655 CB GLU A 41 13.056 -4.261 3.930 1.00 0.00 C ATOM 656 CG GLU A 41 13.511 -3.510 2.663 1.00 0.00 C ATOM 657 CD GLU A 41 14.820 -2.749 2.902 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.353 -2.782 4.044 1.00 0.00 O ATOM 659 OE2 GLU A 41 15.297 -2.104 1.931 1.00 0.00 O ATOM 0 H GLU A 41 10.948 -3.064 3.491 1.00 0.00 H new ATOM 0 HA GLU A 41 11.757 -5.720 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.996 -3.555 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.812 -5.000 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.645 -4.219 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.734 -2.811 2.354 1.00 0.00 H new ATOM 666 N LEU A 42 10.886 -4.725 6.035 1.00 0.00 N ATOM 667 CA LEU A 42 10.611 -5.052 7.411 1.00 0.00 C ATOM 668 C LEU A 42 9.278 -5.737 7.556 1.00 0.00 C ATOM 669 O LEU A 42 9.038 -6.405 8.556 1.00 0.00 O ATOM 670 CB LEU A 42 10.571 -3.774 8.278 1.00 0.00 C ATOM 671 CG LEU A 42 11.888 -2.961 8.295 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.672 -1.590 8.965 1.00 0.00 C ATOM 673 CD2 LEU A 42 13.047 -3.728 8.964 1.00 0.00 C ATOM 0 H LEU A 42 10.699 -3.746 5.820 1.00 0.00 H new ATOM 0 HA LEU A 42 11.410 -5.716 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.768 -3.131 7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.319 -4.053 9.301 1.00 0.00 H new ATOM 0 HG LEU A 42 12.178 -2.800 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.610 -1.034 8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.919 -1.029 8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.335 -1.736 9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.947 -3.113 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.782 -3.959 9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.232 -4.654 8.420 1.00 0.00 H new ATOM 685 N TRP A 43 8.382 -5.587 6.553 1.00 0.00 N ATOM 686 CA TRP A 43 7.082 -6.217 6.516 1.00 0.00 C ATOM 687 C TRP A 43 7.241 -7.643 6.066 1.00 0.00 C ATOM 688 O TRP A 43 6.586 -8.539 6.595 1.00 0.00 O ATOM 689 CB TRP A 43 6.127 -5.471 5.542 1.00 0.00 C ATOM 690 CG TRP A 43 4.806 -6.147 5.199 1.00 0.00 C ATOM 691 CD1 TRP A 43 4.437 -6.690 4.002 1.00 0.00 C ATOM 692 CD2 TRP A 43 3.707 -6.369 6.101 1.00 0.00 C ATOM 693 NE1 TRP A 43 3.181 -7.237 4.094 1.00 0.00 N ATOM 694 CE2 TRP A 43 2.707 -7.049 5.371 1.00 0.00 C ATOM 695 CE3 TRP A 43 3.519 -6.039 7.438 1.00 0.00 C ATOM 696 CZ2 TRP A 43 1.504 -7.411 5.968 1.00 0.00 C ATOM 697 CZ3 TRP A 43 2.309 -6.415 8.041 1.00 0.00 C ATOM 698 CH2 TRP A 43 1.319 -7.093 7.320 1.00 0.00 C ATOM 0 H TRP A 43 8.567 -5.006 5.736 1.00 0.00 H new ATOM 0 HA TRP A 43 6.648 -6.181 7.515 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.904 -4.494 5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.666 -5.294 4.611 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.046 -6.689 3.110 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.681 -7.706 3.339 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.279 -5.511 7.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.736 -7.922 5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.138 -6.177 9.081 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.400 -7.375 7.813 1.00 0.00 H new ATOM 709 N ARG A 44 8.116 -7.880 5.061 1.00 0.00 N ATOM 710 CA ARG A 44 8.299 -9.178 4.460 1.00 0.00 C ATOM 711 C ARG A 44 8.982 -10.099 5.437 1.00 0.00 C ATOM 712 O ARG A 44 8.518 -11.215 5.668 1.00 0.00 O ATOM 713 CB ARG A 44 9.094 -9.092 3.137 1.00 0.00 C ATOM 714 CG ARG A 44 9.134 -10.412 2.346 1.00 0.00 C ATOM 715 CD ARG A 44 9.612 -10.250 0.894 1.00 0.00 C ATOM 716 NE ARG A 44 11.008 -9.690 0.876 1.00 0.00 N ATOM 717 CZ ARG A 44 12.132 -10.465 0.763 1.00 0.00 C ATOM 718 NH1 ARG A 44 12.043 -11.825 0.697 1.00 0.00 N ATOM 719 NH2 ARG A 44 13.359 -9.868 0.711 1.00 0.00 N ATOM 0 H ARG A 44 8.709 -7.155 4.657 1.00 0.00 H new ATOM 0 HA ARG A 44 7.316 -9.581 4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.653 -8.317 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.115 -8.781 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.792 -11.113 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.138 -10.854 2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.590 -11.214 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.938 -9.588 0.351 1.00 0.00 H new ATOM 0 HE ARG A 44 11.124 -8.679 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.130 -12.279 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.889 -12.388 0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.434 -8.852 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.200 -10.438 0.627 1.00 0.00 H new ATOM 733 N ALA A 45 10.078 -9.616 6.067 1.00 0.00 N ATOM 734 CA ALA A 45 10.746 -10.315 7.136 1.00 0.00 C ATOM 735 C ALA A 45 10.317 -9.661 8.420 1.00 0.00 C ATOM 736 O ALA A 45 11.021 -8.805 8.953 1.00 0.00 O ATOM 737 CB ALA A 45 12.281 -10.241 7.016 1.00 0.00 C ATOM 0 H ALA A 45 10.509 -8.723 5.830 1.00 0.00 H new ATOM 0 HA ALA A 45 10.477 -11.371 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 45 12.737 -10.783 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.594 -10.689 6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.598 -9.199 7.045 1.00 0.00 H new ATOM 743 N MET A 46 9.130 -10.062 8.936 1.00 0.00 N ATOM 744 CA MET A 46 8.579 -9.559 10.173 1.00 0.00 C ATOM 745 C MET A 46 8.357 -10.778 11.032 1.00 0.00 C ATOM 746 O MET A 46 9.087 -11.762 10.920 1.00 0.00 O ATOM 747 CB MET A 46 7.257 -8.772 9.947 1.00 0.00 C ATOM 748 CG MET A 46 6.924 -7.719 11.034 1.00 0.00 C ATOM 749 SD MET A 46 5.365 -7.986 11.942 1.00 0.00 S ATOM 750 CE MET A 46 4.256 -7.750 10.525 1.00 0.00 C ATOM 0 H MET A 46 8.536 -10.755 8.481 1.00 0.00 H new ATOM 0 HA MET A 46 9.254 -8.846 10.646 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.312 -8.269 8.981 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.434 -9.484 9.889 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.743 -7.695 11.753 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.885 -6.737 10.563 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.452 -7.067 10.802 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.817 -7.331 9.690 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.831 -8.710 10.231 1.00 0.00 H new ATOM 760 N LYS A 47 7.329 -10.735 11.910 1.00 0.00 N ATOM 761 CA LYS A 47 6.886 -11.835 12.722 1.00 0.00 C ATOM 762 C LYS A 47 5.691 -12.399 11.997 1.00 0.00 C ATOM 763 O LYS A 47 5.833 -12.966 10.915 1.00 0.00 O ATOM 764 CB LYS A 47 6.510 -11.397 14.161 1.00 0.00 C ATOM 765 CG LYS A 47 7.707 -10.849 14.957 1.00 0.00 C ATOM 766 CD LYS A 47 7.334 -10.442 16.392 1.00 0.00 C ATOM 767 CE LYS A 47 8.527 -9.904 17.195 1.00 0.00 C ATOM 768 NZ LYS A 47 8.125 -9.532 18.572 1.00 0.00 N ATOM 0 H LYS A 47 6.780 -9.889 12.060 1.00 0.00 H new ATOM 0 HA LYS A 47 7.680 -12.571 12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.734 -10.633 14.111 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.086 -12.248 14.694 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.491 -11.605 14.991 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.119 -9.985 14.435 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.555 -9.681 16.356 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.914 -11.304 16.910 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.312 -10.659 17.234 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.946 -9.035 16.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.952 -9.172 19.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.393 -8.794 18.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.747 -10.368 19.061 1.00 0.00 H new ATOM 782 N ASP A 48 4.480 -12.243 12.577 1.00 0.00 N ATOM 783 CA ASP A 48 3.254 -12.756 12.022 1.00 0.00 C ATOM 784 C ASP A 48 2.539 -11.607 11.379 1.00 0.00 C ATOM 785 O ASP A 48 2.707 -10.454 11.774 1.00 0.00 O ATOM 786 CB ASP A 48 2.306 -13.352 13.090 1.00 0.00 C ATOM 787 CG ASP A 48 2.967 -14.562 13.749 1.00 0.00 C ATOM 788 OD1 ASP A 48 3.192 -15.572 13.031 1.00 0.00 O ATOM 789 OD2 ASP A 48 3.254 -14.489 14.973 1.00 0.00 O ATOM 0 H ASP A 48 4.349 -11.746 13.458 1.00 0.00 H new ATOM 0 HA ASP A 48 3.512 -13.553 11.324 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.071 -12.599 13.842 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.363 -13.647 12.629 1.00 0.00 H new ATOM 794 N LYS A 49 1.712 -11.924 10.359 1.00 0.00 N ATOM 795 CA LYS A 49 0.893 -10.969 9.650 1.00 0.00 C ATOM 796 C LYS A 49 -0.546 -11.217 10.020 1.00 0.00 C ATOM 797 O LYS A 49 -1.439 -10.534 9.523 1.00 0.00 O ATOM 798 CB LYS A 49 1.040 -11.108 8.115 1.00 0.00 C ATOM 799 CG LYS A 49 2.469 -10.816 7.622 1.00 0.00 C ATOM 800 CD LYS A 49 2.625 -10.923 6.095 1.00 0.00 C ATOM 801 CE LYS A 49 4.036 -10.542 5.619 1.00 0.00 C ATOM 802 NZ LYS A 49 4.157 -10.609 4.142 1.00 0.00 N ATOM 0 H LYS A 49 1.607 -12.878 10.013 1.00 0.00 H new ATOM 0 HA LYS A 49 1.214 -9.966 9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.758 -12.118 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.345 -10.426 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.757 -9.814 7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.159 -11.512 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.402 -11.943 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.895 -10.274 5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.274 -9.534 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.766 -11.211 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.123 -10.345 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.955 -11.577 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.478 -9.952 3.708 1.00 0.00 H new ATOM 816 N SER A 50 -0.795 -12.201 10.924 1.00 0.00 N ATOM 817 CA SER A 50 -2.101 -12.715 11.279 1.00 0.00 C ATOM 818 C SER A 50 -2.935 -11.704 12.027 1.00 0.00 C ATOM 819 O SER A 50 -4.160 -11.695 11.914 1.00 0.00 O ATOM 820 CB SER A 50 -2.006 -14.021 12.109 1.00 0.00 C ATOM 821 OG SER A 50 -1.187 -13.866 13.264 1.00 0.00 O ATOM 0 H SER A 50 -0.043 -12.663 11.435 1.00 0.00 H new ATOM 0 HA SER A 50 -2.596 -12.935 10.333 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.006 -14.329 12.414 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.603 -14.818 11.484 1.00 0.00 H new ATOM 0 HG SER A 50 -1.156 -14.711 13.759 1.00 0.00 H new ATOM 827 N GLU A 51 -2.267 -10.815 12.796 1.00 0.00 N ATOM 828 CA GLU A 51 -2.883 -9.799 13.615 1.00 0.00 C ATOM 829 C GLU A 51 -3.542 -8.758 12.753 1.00 0.00 C ATOM 830 O GLU A 51 -4.643 -8.291 13.041 1.00 0.00 O ATOM 831 CB GLU A 51 -1.829 -9.069 14.480 1.00 0.00 C ATOM 832 CG GLU A 51 -1.030 -10.018 15.391 1.00 0.00 C ATOM 833 CD GLU A 51 0.005 -9.211 16.172 1.00 0.00 C ATOM 834 OE1 GLU A 51 0.906 -8.619 15.520 1.00 0.00 O ATOM 835 OE2 GLU A 51 -0.094 -9.175 17.428 1.00 0.00 O ATOM 0 H GLU A 51 -1.249 -10.802 12.851 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.614 -10.301 14.249 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.138 -8.536 13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.328 -8.320 15.095 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.701 -10.533 16.078 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.536 -10.785 14.794 1.00 0.00 H new ATOM 842 N TRP A 52 -2.844 -8.373 11.666 1.00 0.00 N ATOM 843 CA TRP A 52 -3.182 -7.240 10.849 1.00 0.00 C ATOM 844 C TRP A 52 -4.189 -7.622 9.806 1.00 0.00 C ATOM 845 O TRP A 52 -5.049 -6.817 9.456 1.00 0.00 O ATOM 846 CB TRP A 52 -1.934 -6.663 10.144 1.00 0.00 C ATOM 847 CG TRP A 52 -0.803 -6.347 11.103 1.00 0.00 C ATOM 848 CD1 TRP A 52 0.365 -7.027 11.302 1.00 0.00 C ATOM 849 CD2 TRP A 52 -0.815 -5.270 12.056 1.00 0.00 C ATOM 850 NE1 TRP A 52 1.091 -6.443 12.314 1.00 0.00 N ATOM 851 CE2 TRP A 52 0.389 -5.355 12.788 1.00 0.00 C ATOM 852 CE3 TRP A 52 -1.752 -4.277 12.326 1.00 0.00 C ATOM 853 CZ2 TRP A 52 0.679 -4.438 13.793 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -1.456 -3.348 13.334 1.00 0.00 C ATOM 855 CH2 TRP A 52 -0.257 -3.428 14.056 1.00 0.00 C ATOM 0 H TRP A 52 -2.013 -8.868 11.342 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.602 -6.482 11.510 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.582 -7.377 9.399 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.213 -5.755 9.609 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.674 -7.899 10.744 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.997 -6.762 12.657 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.680 -4.223 11.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.599 -4.502 14.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.161 -2.561 13.557 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.051 -2.700 14.827 1.00 0.00 H new ATOM 866 N GLU A 53 -4.116 -8.870 9.285 1.00 0.00 N ATOM 867 CA GLU A 53 -4.980 -9.325 8.219 1.00 0.00 C ATOM 868 C GLU A 53 -6.356 -9.648 8.739 1.00 0.00 C ATOM 869 O GLU A 53 -7.329 -9.542 7.999 1.00 0.00 O ATOM 870 CB GLU A 53 -4.409 -10.543 7.448 1.00 0.00 C ATOM 871 CG GLU A 53 -4.325 -11.848 8.264 1.00 0.00 C ATOM 872 CD GLU A 53 -3.542 -12.936 7.526 1.00 0.00 C ATOM 873 OE1 GLU A 53 -3.089 -12.690 6.377 1.00 0.00 O ATOM 874 OE2 GLU A 53 -3.386 -14.037 8.120 1.00 0.00 O ATOM 0 H GLU A 53 -3.451 -9.573 9.605 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.043 -8.498 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.029 -10.721 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.411 -10.292 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.848 -11.646 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.332 -12.207 8.478 1.00 0.00 H new ATOM 881 N ALA A 54 -6.471 -10.020 10.038 1.00 0.00 N ATOM 882 CA ALA A 54 -7.726 -10.343 10.676 1.00 0.00 C ATOM 883 C ALA A 54 -8.468 -9.079 11.018 1.00 0.00 C ATOM 884 O ALA A 54 -9.698 -9.036 10.996 1.00 0.00 O ATOM 885 CB ALA A 54 -7.518 -11.132 11.984 1.00 0.00 C ATOM 0 H ALA A 54 -5.669 -10.099 10.663 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.292 -10.954 9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.486 -11.355 12.432 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.995 -12.064 11.768 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.925 -10.536 12.678 1.00 0.00 H new ATOM 891 N LYS A 55 -7.704 -8.008 11.329 1.00 0.00 N ATOM 892 CA LYS A 55 -8.207 -6.704 11.684 1.00 0.00 C ATOM 893 C LYS A 55 -8.725 -6.019 10.444 1.00 0.00 C ATOM 894 O LYS A 55 -9.781 -5.387 10.463 1.00 0.00 O ATOM 895 CB LYS A 55 -7.075 -5.867 12.327 1.00 0.00 C ATOM 896 CG LYS A 55 -7.514 -4.539 12.962 1.00 0.00 C ATOM 897 CD LYS A 55 -6.360 -3.771 13.638 1.00 0.00 C ATOM 898 CE LYS A 55 -5.745 -4.497 14.848 1.00 0.00 C ATOM 899 NZ LYS A 55 -4.668 -3.692 15.472 1.00 0.00 N ATOM 0 H LYS A 55 -6.685 -8.052 11.334 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.019 -6.804 12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.589 -6.472 13.092 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.326 -5.655 11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.960 -3.907 12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.290 -4.737 13.701 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.578 -3.590 12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.726 -2.796 13.960 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.522 -4.702 15.585 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.345 -5.460 14.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.274 -4.209 16.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.916 -3.518 14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.057 -2.783 15.796 1.00 0.00 H new ATOM 913 N ALA A 56 -7.989 -6.179 9.320 1.00 0.00 N ATOM 914 CA ALA A 56 -8.323 -5.626 8.029 1.00 0.00 C ATOM 915 C ALA A 56 -9.504 -6.338 7.420 1.00 0.00 C ATOM 916 O ALA A 56 -10.304 -5.713 6.729 1.00 0.00 O ATOM 917 CB ALA A 56 -7.145 -5.730 7.033 1.00 0.00 C ATOM 0 H ALA A 56 -7.123 -6.717 9.308 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.562 -4.577 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.440 -5.302 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.287 -5.184 7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.876 -6.777 6.895 1.00 0.00 H new ATOM 923 N ALA A 57 -9.641 -7.663 7.679 1.00 0.00 N ATOM 924 CA ALA A 57 -10.686 -8.506 7.135 1.00 0.00 C ATOM 925 C ALA A 57 -12.017 -8.213 7.770 1.00 0.00 C ATOM 926 O ALA A 57 -13.060 -8.407 7.148 1.00 0.00 O ATOM 927 CB ALA A 57 -10.409 -10.006 7.345 1.00 0.00 C ATOM 0 H ALA A 57 -9.000 -8.169 8.291 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.704 -8.281 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.224 -10.590 6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.474 -10.275 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.333 -10.216 8.412 1.00 0.00 H new ATOM 933 N LYS A 58 -12.006 -7.713 9.028 1.00 0.00 N ATOM 934 CA LYS A 58 -13.197 -7.322 9.744 1.00 0.00 C ATOM 935 C LYS A 58 -13.751 -6.071 9.119 1.00 0.00 C ATOM 936 O LYS A 58 -14.948 -5.970 8.865 1.00 0.00 O ATOM 937 CB LYS A 58 -12.912 -7.067 11.243 1.00 0.00 C ATOM 938 CG LYS A 58 -14.179 -6.839 12.087 1.00 0.00 C ATOM 939 CD LYS A 58 -13.939 -6.490 13.569 1.00 0.00 C ATOM 940 CE LYS A 58 -13.498 -7.658 14.471 1.00 0.00 C ATOM 941 NZ LYS A 58 -12.076 -8.030 14.276 1.00 0.00 N ATOM 0 H LYS A 58 -11.148 -7.576 9.562 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.917 -8.138 9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.365 -7.918 11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.263 -6.196 11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.757 -6.035 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.792 -7.739 12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.180 -5.710 13.620 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.858 -6.068 13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.658 -7.386 15.514 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.127 -8.525 14.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.667 -8.327 15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.012 -8.813 13.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.550 -7.211 13.911 1.00 0.00 H new ATOM 955 N ALA A 59 -12.860 -5.102 8.806 1.00 0.00 N ATOM 956 CA ALA A 59 -13.213 -3.846 8.189 1.00 0.00 C ATOM 957 C ALA A 59 -13.627 -4.030 6.747 1.00 0.00 C ATOM 958 O ALA A 59 -14.319 -3.183 6.189 1.00 0.00 O ATOM 959 CB ALA A 59 -12.037 -2.851 8.223 1.00 0.00 C ATOM 0 H ALA A 59 -11.861 -5.194 8.988 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.050 -3.451 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.338 -1.916 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.752 -2.659 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.188 -3.273 7.685 1.00 0.00 H new ATOM 965 N LYS A 60 -13.224 -5.162 6.124 1.00 0.00 N ATOM 966 CA LYS A 60 -13.519 -5.505 4.752 1.00 0.00 C ATOM 967 C LYS A 60 -14.949 -5.966 4.640 1.00 0.00 C ATOM 968 O LYS A 60 -15.664 -5.578 3.717 1.00 0.00 O ATOM 969 CB LYS A 60 -12.586 -6.634 4.244 1.00 0.00 C ATOM 970 CG LYS A 60 -12.401 -6.701 2.718 1.00 0.00 C ATOM 971 CD LYS A 60 -11.526 -5.559 2.176 1.00 0.00 C ATOM 972 CE LYS A 60 -11.069 -5.774 0.726 1.00 0.00 C ATOM 973 NZ LYS A 60 -10.156 -4.689 0.290 1.00 0.00 N ATOM 0 H LYS A 60 -12.666 -5.873 6.597 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.359 -4.616 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.607 -6.509 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.981 -7.590 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.949 -7.657 2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.378 -6.665 2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.083 -4.624 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.648 -5.450 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.564 -6.736 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.938 -5.809 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.861 -4.857 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.648 -3.775 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.317 -4.673 0.905 1.00 0.00 H new ATOM 987 N ASP A 61 -15.391 -6.804 5.610 1.00 0.00 N ATOM 988 CA ASP A 61 -16.709 -7.399 5.644 1.00 0.00 C ATOM 989 C ASP A 61 -17.717 -6.342 6.009 1.00 0.00 C ATOM 990 O ASP A 61 -18.742 -6.202 5.346 1.00 0.00 O ATOM 991 CB ASP A 61 -16.778 -8.578 6.656 1.00 0.00 C ATOM 992 CG ASP A 61 -18.051 -9.418 6.484 1.00 0.00 C ATOM 993 OD1 ASP A 61 -19.150 -8.936 6.869 1.00 0.00 O ATOM 994 OD2 ASP A 61 -17.933 -10.562 5.967 1.00 0.00 O ATOM 0 H ASP A 61 -14.809 -7.079 6.402 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.933 -7.803 4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.904 -9.216 6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.739 -8.185 7.672 1.00 0.00 H new ATOM 999 N ASP A 62 -17.417 -5.549 7.066 1.00 0.00 N ATOM 1000 CA ASP A 62 -18.286 -4.515 7.589 1.00 0.00 C ATOM 1001 C ASP A 62 -18.443 -3.373 6.617 1.00 0.00 C ATOM 1002 O ASP A 62 -19.441 -2.660 6.678 1.00 0.00 O ATOM 1003 CB ASP A 62 -17.790 -3.931 8.941 1.00 0.00 C ATOM 1004 CG ASP A 62 -18.115 -4.885 10.097 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -17.613 -6.039 10.093 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -18.880 -4.460 11.004 1.00 0.00 O ATOM 0 H ASP A 62 -16.538 -5.628 7.577 1.00 0.00 H new ATOM 0 HA ASP A 62 -19.245 -5.008 7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.714 -3.760 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -18.260 -2.963 9.119 1.00 0.00 H new ATOM 1011 N TYR A 63 -17.489 -3.187 5.669 1.00 0.00 N ATOM 1012 CA TYR A 63 -17.602 -2.208 4.608 1.00 0.00 C ATOM 1013 C TYR A 63 -18.658 -2.665 3.638 1.00 0.00 C ATOM 1014 O TYR A 63 -19.637 -1.958 3.424 1.00 0.00 O ATOM 1015 CB TYR A 63 -16.260 -2.006 3.848 1.00 0.00 C ATOM 1016 CG TYR A 63 -16.306 -0.986 2.727 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -16.815 0.310 2.928 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -15.732 -1.299 1.481 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -16.696 1.288 1.933 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -15.604 -0.322 0.486 1.00 0.00 C ATOM 1021 CZ TYR A 63 -16.068 0.979 0.718 1.00 0.00 C ATOM 1022 OH TYR A 63 -15.876 1.988 -0.252 1.00 0.00 O ATOM 0 H TYR A 63 -16.623 -3.725 5.637 1.00 0.00 H new ATOM 0 HA TYR A 63 -17.871 -1.252 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -15.496 -1.702 4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -15.946 -2.964 3.434 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -17.303 0.553 3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -15.386 -2.304 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -17.088 2.280 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -15.147 -0.572 -0.460 1.00 0.00 H new ATOM 0 HH TYR A 63 -15.425 1.608 -1.035 1.00 0.00 H new ATOM 1032 N ASP A 64 -18.472 -3.872 3.049 1.00 0.00 N ATOM 1033 CA ASP A 64 -19.281 -4.420 1.978 1.00 0.00 C ATOM 1034 C ASP A 64 -20.721 -4.602 2.407 1.00 0.00 C ATOM 1035 O ASP A 64 -21.649 -4.343 1.643 1.00 0.00 O ATOM 1036 CB ASP A 64 -18.701 -5.782 1.505 1.00 0.00 C ATOM 1037 CG ASP A 64 -19.345 -6.259 0.198 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -19.248 -5.511 -0.811 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -19.931 -7.373 0.198 1.00 0.00 O ATOM 0 H ASP A 64 -17.720 -4.500 3.332 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.258 -3.709 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -17.624 -5.688 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -18.858 -6.532 2.281 1.00 0.00 H new ATOM 1044 N ARG A 65 -20.923 -5.031 3.675 1.00 0.00 N ATOM 1045 CA ARG A 65 -22.219 -5.278 4.255 1.00 0.00 C ATOM 1046 C ARG A 65 -22.957 -3.981 4.476 1.00 0.00 C ATOM 1047 O ARG A 65 -24.130 -3.861 4.124 1.00 0.00 O ATOM 1048 CB ARG A 65 -22.089 -6.023 5.606 1.00 0.00 C ATOM 1049 CG ARG A 65 -23.418 -6.548 6.175 1.00 0.00 C ATOM 1050 CD ARG A 65 -23.230 -7.330 7.484 1.00 0.00 C ATOM 1051 NE ARG A 65 -24.560 -7.882 7.921 1.00 0.00 N ATOM 1052 CZ ARG A 65 -25.027 -9.109 7.528 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -24.280 -9.921 6.724 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -26.257 -9.531 7.949 1.00 0.00 N ATOM 0 H ARG A 65 -20.155 -5.213 4.321 1.00 0.00 H new ATOM 0 HA ARG A 65 -22.778 -5.901 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -21.406 -6.863 5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -21.636 -5.351 6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -24.091 -5.709 6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -23.897 -7.191 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -22.515 -8.140 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -22.821 -6.679 8.256 1.00 0.00 H new ATOM 0 HE ARG A 65 -25.141 -7.316 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -23.359 -9.617 6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -24.642 -10.831 6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -26.822 -8.934 8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -26.610 -10.443 7.660 1.00 0.00 H new ATOM 1068 N ALA A 66 -22.268 -2.974 5.063 1.00 0.00 N ATOM 1069 CA ALA A 66 -22.884 -1.747 5.508 1.00 0.00 C ATOM 1070 C ALA A 66 -23.229 -0.827 4.369 1.00 0.00 C ATOM 1071 O ALA A 66 -24.235 -0.130 4.454 1.00 0.00 O ATOM 1072 CB ALA A 66 -22.003 -0.960 6.493 1.00 0.00 C ATOM 0 H ALA A 66 -21.263 -3.012 5.232 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.795 -2.070 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -22.518 -0.047 6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.806 -1.571 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -21.060 -0.703 6.012 1.00 0.00 H new ATOM 1078 N VAL A 67 -22.429 -0.805 3.269 1.00 0.00 N ATOM 1079 CA VAL A 67 -22.677 0.067 2.132 1.00 0.00 C ATOM 1080 C VAL A 67 -23.915 -0.356 1.382 1.00 0.00 C ATOM 1081 O VAL A 67 -24.577 0.473 0.762 1.00 0.00 O ATOM 1082 CB VAL A 67 -21.524 0.197 1.135 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -20.343 0.915 1.820 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -21.118 -1.163 0.526 1.00 0.00 C ATOM 0 H VAL A 67 -21.603 -1.395 3.164 1.00 0.00 H new ATOM 0 HA VAL A 67 -22.805 1.050 2.586 1.00 0.00 H new ATOM 0 HB VAL A 67 -21.855 0.800 0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -19.517 1.011 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -20.659 1.906 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -20.017 0.336 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -20.296 -1.017 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.801 -1.838 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.970 -1.595 0.001 1.00 0.00 H new ATOM 1094 N LYS A 68 -24.276 -1.660 1.455 1.00 0.00 N ATOM 1095 CA LYS A 68 -25.434 -2.210 0.791 1.00 0.00 C ATOM 1096 C LYS A 68 -26.688 -1.686 1.444 1.00 0.00 C ATOM 1097 O LYS A 68 -27.644 -1.316 0.769 1.00 0.00 O ATOM 1098 CB LYS A 68 -25.458 -3.756 0.866 1.00 0.00 C ATOM 1099 CG LYS A 68 -26.479 -4.403 -0.088 1.00 0.00 C ATOM 1100 CD LYS A 68 -26.721 -5.902 0.169 1.00 0.00 C ATOM 1101 CE LYS A 68 -27.494 -6.213 1.463 1.00 0.00 C ATOM 1102 NZ LYS A 68 -28.837 -5.584 1.457 1.00 0.00 N ATOM 0 H LYS A 68 -23.749 -2.351 1.990 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.384 -1.910 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -24.464 -4.138 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -25.686 -4.058 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -27.428 -3.873 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -26.134 -4.273 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -27.270 -6.318 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -25.758 -6.411 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -27.597 -7.292 1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -26.927 -5.855 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -29.411 -5.984 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -28.740 -4.558 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -29.303 -5.768 0.545 1.00 0.00 H new ATOM 1116 N GLU A 69 -26.685 -1.639 2.795 1.00 0.00 N ATOM 1117 CA GLU A 69 -27.810 -1.246 3.610 1.00 0.00 C ATOM 1118 C GLU A 69 -27.958 0.254 3.622 1.00 0.00 C ATOM 1119 O GLU A 69 -29.072 0.773 3.677 1.00 0.00 O ATOM 1120 CB GLU A 69 -27.632 -1.746 5.062 1.00 0.00 C ATOM 1121 CG GLU A 69 -27.536 -3.282 5.140 1.00 0.00 C ATOM 1122 CD GLU A 69 -27.258 -3.723 6.575 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -26.178 -3.353 7.109 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -28.115 -4.444 7.152 1.00 0.00 O ATOM 0 H GLU A 69 -25.863 -1.885 3.347 1.00 0.00 H new ATOM 0 HA GLU A 69 -28.705 -1.695 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.731 -1.305 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -28.472 -1.405 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.466 -3.730 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -26.742 -3.637 4.483 1.00 0.00 H new ATOM 1131 N PHE A 70 -26.818 0.980 3.551 1.00 0.00 N ATOM 1132 CA PHE A 70 -26.723 2.422 3.585 1.00 0.00 C ATOM 1133 C PHE A 70 -27.324 3.004 2.329 1.00 0.00 C ATOM 1134 O PHE A 70 -28.148 3.917 2.393 1.00 0.00 O ATOM 1135 CB PHE A 70 -25.231 2.852 3.704 1.00 0.00 C ATOM 1136 CG PHE A 70 -25.009 4.340 3.824 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -25.531 5.067 4.909 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -24.224 5.011 2.869 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -25.273 6.439 5.034 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -23.964 6.380 2.994 1.00 0.00 C ATOM 1141 CZ PHE A 70 -24.488 7.094 4.079 1.00 0.00 C ATOM 0 H PHE A 70 -25.905 0.534 3.464 1.00 0.00 H new ATOM 0 HA PHE A 70 -27.271 2.795 4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -24.795 2.362 4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -24.692 2.488 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -26.135 4.565 5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -23.818 4.464 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -25.680 6.991 5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -23.360 6.885 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 70 -24.286 8.150 4.178 1.00 0.00 H new ATOM 1151 N GLU A 71 -26.917 2.468 1.157 1.00 0.00 N ATOM 1152 CA GLU A 71 -27.311 2.976 -0.135 1.00 0.00 C ATOM 1153 C GLU A 71 -28.637 2.404 -0.570 1.00 0.00 C ATOM 1154 O GLU A 71 -29.173 2.817 -1.598 1.00 0.00 O ATOM 1155 CB GLU A 71 -26.251 2.671 -1.218 1.00 0.00 C ATOM 1156 CG GLU A 71 -24.902 3.354 -0.922 1.00 0.00 C ATOM 1157 CD GLU A 71 -23.892 3.000 -2.011 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -24.152 3.350 -3.194 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -22.848 2.380 -1.676 1.00 0.00 O ATOM 0 H GLU A 71 -26.297 1.660 1.103 1.00 0.00 H new ATOM 0 HA GLU A 71 -27.404 4.057 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.103 1.593 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -26.619 3.004 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.034 4.435 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -24.528 3.035 0.051 1.00 0.00 H new