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 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 164:sc=-0.00817 (180deg=-0.296) USER MOD Single : A 17 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.26) USER MOD Single : A 18 SER OG : rot -160:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.098 (180deg=0.098) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00497 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.019) USER MOD Single : A 46 MET CE :methyl 180:sc= -0.524 (180deg=-0.524) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc=-0.00276 (180deg=-0.0993) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0548) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= -0.205 (180deg=-1.39!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -169:sc=-0.00663 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -12.189 -1.491 2.777 1.00 0.00 N ATOM 126 CA PRO A 8 -10.922 -1.119 3.381 1.00 0.00 C ATOM 127 C PRO A 8 -10.234 -2.313 4.011 1.00 0.00 C ATOM 128 O PRO A 8 -10.565 -2.667 5.143 1.00 0.00 O ATOM 129 CB PRO A 8 -11.322 -0.092 4.452 1.00 0.00 C ATOM 130 CG PRO A 8 -12.739 -0.489 4.884 1.00 0.00 C ATOM 131 CD PRO A 8 -13.330 -1.106 3.615 1.00 0.00 C ATOM 0 HA PRO A 8 -10.213 -0.726 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.633 -0.115 5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.302 0.922 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.724 -1.201 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.315 0.374 5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.947 -1.972 3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.970 -0.392 3.097 1.00 0.00 H new ATOM 139 N LEU A 9 -9.248 -2.937 3.324 1.00 0.00 N ATOM 140 CA LEU A 9 -8.406 -3.912 3.971 1.00 0.00 C ATOM 141 C LEU A 9 -7.074 -3.908 3.280 1.00 0.00 C ATOM 142 O LEU A 9 -6.988 -3.945 2.054 1.00 0.00 O ATOM 143 CB LEU A 9 -8.954 -5.368 4.059 1.00 0.00 C ATOM 144 CG LEU A 9 -9.467 -6.022 2.750 1.00 0.00 C ATOM 145 CD1 LEU A 9 -9.247 -7.548 2.773 1.00 0.00 C ATOM 146 CD2 LEU A 9 -10.949 -5.702 2.473 1.00 0.00 C ATOM 0 H LEU A 9 -9.036 -2.772 2.340 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.347 -3.600 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.164 -6.001 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.770 -5.377 4.781 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.883 -5.591 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.615 -7.983 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.183 -7.761 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.787 -7.981 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.258 -6.184 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.561 -6.072 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.078 -4.623 2.382 1.00 0.00 H new ATOM 158 N SER A 10 -5.998 -3.853 4.096 1.00 0.00 N ATOM 159 CA SER A 10 -4.636 -4.019 3.670 1.00 0.00 C ATOM 160 C SER A 10 -3.936 -4.233 4.981 1.00 0.00 C ATOM 161 O SER A 10 -4.047 -3.402 5.880 1.00 0.00 O ATOM 162 CB SER A 10 -4.043 -2.790 2.926 1.00 0.00 C ATOM 163 OG SER A 10 -2.699 -3.012 2.507 1.00 0.00 O ATOM 0 H SER A 10 -6.082 -3.685 5.099 1.00 0.00 H new ATOM 0 HA SER A 10 -4.530 -4.824 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.660 -2.561 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.079 -1.919 3.580 1.00 0.00 H new ATOM 0 HG SER A 10 -2.365 -2.216 2.042 1.00 0.00 H new ATOM 169 N ALA A 11 -3.223 -5.373 5.136 1.00 0.00 N ATOM 170 CA ALA A 11 -2.627 -5.776 6.392 1.00 0.00 C ATOM 171 C ALA A 11 -1.316 -5.069 6.607 1.00 0.00 C ATOM 172 O ALA A 11 -0.933 -4.782 7.741 1.00 0.00 O ATOM 173 CB ALA A 11 -2.360 -7.293 6.445 1.00 0.00 C ATOM 0 H ALA A 11 -3.055 -6.031 4.375 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.341 -5.510 7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.913 -7.550 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.300 -7.832 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.678 -7.571 5.641 1.00 0.00 H new ATOM 179 N TYR A 12 -0.608 -4.761 5.495 1.00 0.00 N ATOM 180 CA TYR A 12 0.682 -4.110 5.484 1.00 0.00 C ATOM 181 C TYR A 12 0.531 -2.680 5.936 1.00 0.00 C ATOM 182 O TYR A 12 1.352 -2.175 6.697 1.00 0.00 O ATOM 183 CB TYR A 12 1.302 -4.156 4.052 1.00 0.00 C ATOM 184 CG TYR A 12 2.670 -3.517 3.904 1.00 0.00 C ATOM 185 CD1 TYR A 12 3.645 -3.570 4.919 1.00 0.00 C ATOM 186 CD2 TYR A 12 2.991 -2.859 2.703 1.00 0.00 C ATOM 187 CE1 TYR A 12 4.903 -2.985 4.736 1.00 0.00 C ATOM 188 CE2 TYR A 12 4.245 -2.264 2.521 1.00 0.00 C ATOM 189 CZ TYR A 12 5.208 -2.331 3.536 1.00 0.00 C ATOM 190 OH TYR A 12 6.478 -1.738 3.357 1.00 0.00 O ATOM 0 H TYR A 12 -0.949 -4.975 4.558 1.00 0.00 H new ATOM 0 HA TYR A 12 1.349 -4.635 6.167 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.373 -5.198 3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.615 -3.664 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.419 -4.068 5.850 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.259 -2.812 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.641 -3.038 5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.470 -1.753 1.597 1.00 0.00 H new ATOM 0 HH TYR A 12 6.525 -1.327 2.468 1.00 0.00 H new ATOM 200 N MET A 13 -0.546 -2.006 5.476 1.00 0.00 N ATOM 201 CA MET A 13 -0.753 -0.588 5.654 1.00 0.00 C ATOM 202 C MET A 13 -1.003 -0.225 7.097 1.00 0.00 C ATOM 203 O MET A 13 -0.613 0.850 7.552 1.00 0.00 O ATOM 204 CB MET A 13 -1.942 -0.099 4.794 1.00 0.00 C ATOM 205 CG MET A 13 -1.846 1.379 4.375 1.00 0.00 C ATOM 206 SD MET A 13 -0.486 1.744 3.216 1.00 0.00 S ATOM 207 CE MET A 13 -1.176 0.931 1.739 1.00 0.00 C ATOM 0 H MET A 13 -1.301 -2.461 4.962 1.00 0.00 H new ATOM 0 HA MET A 13 0.164 -0.095 5.333 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.007 -0.716 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.866 -0.248 5.352 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.789 1.676 3.916 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.720 1.990 5.269 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.643 1.274 0.852 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.066 -0.149 1.833 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.233 1.181 1.646 1.00 0.00 H new ATOM 217 N LEU A 14 -1.647 -1.145 7.855 1.00 0.00 N ATOM 218 CA LEU A 14 -1.987 -0.957 9.247 1.00 0.00 C ATOM 219 C LEU A 14 -0.763 -1.069 10.118 1.00 0.00 C ATOM 220 O LEU A 14 -0.660 -0.398 11.144 1.00 0.00 O ATOM 221 CB LEU A 14 -3.023 -1.989 9.745 1.00 0.00 C ATOM 222 CG LEU A 14 -4.377 -1.951 8.996 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.272 -3.130 9.424 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.119 -0.608 9.152 1.00 0.00 C ATOM 0 H LEU A 14 -1.942 -2.050 7.489 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.419 0.041 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.597 -2.988 9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.204 -1.820 10.806 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.147 -2.051 7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.218 -3.083 8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.770 -4.070 9.195 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.462 -3.072 10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.060 -0.646 8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.321 -0.424 10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.501 0.197 8.756 1.00 0.00 H new ATOM 236 N TRP A 15 0.212 -1.914 9.706 1.00 0.00 N ATOM 237 CA TRP A 15 1.455 -2.117 10.412 1.00 0.00 C ATOM 238 C TRP A 15 2.354 -0.914 10.246 1.00 0.00 C ATOM 239 O TRP A 15 3.111 -0.584 11.155 1.00 0.00 O ATOM 240 CB TRP A 15 2.196 -3.391 9.919 1.00 0.00 C ATOM 241 CG TRP A 15 3.516 -3.700 10.616 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.738 -4.286 11.831 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.810 -3.329 10.103 1.00 0.00 C ATOM 244 NE1 TRP A 15 5.086 -4.321 12.107 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.764 -3.732 11.061 1.00 0.00 C ATOM 246 CE3 TRP A 15 5.195 -2.687 8.928 1.00 0.00 C ATOM 247 CZ2 TRP A 15 7.121 -3.499 10.861 1.00 0.00 C ATOM 248 CZ3 TRP A 15 6.563 -2.443 8.732 1.00 0.00 C ATOM 249 CH2 TRP A 15 7.512 -2.842 9.684 1.00 0.00 C ATOM 0 H TRP A 15 0.135 -2.473 8.857 1.00 0.00 H new ATOM 0 HA TRP A 15 1.212 -2.252 11.466 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.532 -4.246 10.044 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.386 -3.288 8.851 1.00 0.00 H new ATOM 0 HD1 TRP A 15 2.965 -4.667 12.482 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.512 -4.717 12.945 1.00 0.00 H new ATOM 0 HE3 TRP A 15 4.464 -2.387 8.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.852 -3.815 11.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.890 -1.940 7.834 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.559 -2.641 9.509 1.00 0.00 H new ATOM 260 N LEU A 16 2.285 -0.226 9.080 1.00 0.00 N ATOM 261 CA LEU A 16 3.152 0.886 8.752 1.00 0.00 C ATOM 262 C LEU A 16 2.920 2.076 9.638 1.00 0.00 C ATOM 263 O LEU A 16 3.881 2.726 10.043 1.00 0.00 O ATOM 264 CB LEU A 16 2.996 1.369 7.288 1.00 0.00 C ATOM 265 CG LEU A 16 3.611 0.417 6.234 1.00 0.00 C ATOM 266 CD1 LEU A 16 3.232 0.863 4.808 1.00 0.00 C ATOM 267 CD2 LEU A 16 5.140 0.307 6.385 1.00 0.00 C ATOM 0 H LEU A 16 1.612 -0.446 8.346 1.00 0.00 H new ATOM 0 HA LEU A 16 4.157 0.491 8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.935 1.496 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.461 2.350 7.190 1.00 0.00 H new ATOM 0 HG LEU A 16 3.195 -0.575 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.675 0.180 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.147 0.853 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.605 1.872 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.533 -0.370 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.590 1.292 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.381 -0.079 7.376 1.00 0.00 H new ATOM 279 N ASN A 17 1.644 2.393 9.971 1.00 0.00 N ATOM 280 CA ASN A 17 1.329 3.543 10.795 1.00 0.00 C ATOM 281 C ASN A 17 1.621 3.266 12.252 1.00 0.00 C ATOM 282 O ASN A 17 1.873 4.192 13.020 1.00 0.00 O ATOM 283 CB ASN A 17 -0.120 4.089 10.614 1.00 0.00 C ATOM 284 CG ASN A 17 -1.223 3.060 10.917 1.00 0.00 C ATOM 285 OD1 ASN A 17 -1.440 2.680 12.073 1.00 0.00 O ATOM 286 ND2 ASN A 17 -1.951 2.626 9.845 1.00 0.00 N ATOM 0 H ASN A 17 0.830 1.856 9.672 1.00 0.00 H new ATOM 0 HA ASN A 17 1.987 4.337 10.441 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.255 4.952 11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.238 4.441 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.711 1.960 9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.734 2.968 8.909 1.00 0.00 H new ATOM 293 N SER A 18 1.612 1.972 12.652 1.00 0.00 N ATOM 294 CA SER A 18 1.843 1.549 14.012 1.00 0.00 C ATOM 295 C SER A 18 3.324 1.607 14.298 1.00 0.00 C ATOM 296 O SER A 18 3.754 2.233 15.265 1.00 0.00 O ATOM 297 CB SER A 18 1.302 0.115 14.251 1.00 0.00 C ATOM 298 OG SER A 18 1.350 -0.257 15.625 1.00 0.00 O ATOM 0 H SER A 18 1.439 1.197 12.012 1.00 0.00 H new ATOM 0 HA SER A 18 1.310 2.218 14.688 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.274 0.053 13.895 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.886 -0.594 13.664 1.00 0.00 H new ATOM 0 HG SER A 18 1.311 -1.233 15.701 1.00 0.00 H new ATOM 304 N ALA A 19 4.139 0.962 13.431 1.00 0.00 N ATOM 305 CA ALA A 19 5.565 0.830 13.608 1.00 0.00 C ATOM 306 C ALA A 19 6.292 1.957 12.920 1.00 0.00 C ATOM 307 O ALA A 19 7.446 1.803 12.528 1.00 0.00 O ATOM 308 CB ALA A 19 6.078 -0.501 13.018 1.00 0.00 C ATOM 0 H ALA A 19 3.796 0.518 12.579 1.00 0.00 H new ATOM 0 HA ALA A 19 5.759 0.856 14.680 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.156 -0.573 13.166 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.586 -1.335 13.519 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.855 -0.536 11.952 1.00 0.00 H new ATOM 314 N ARG A 20 5.647 3.141 12.787 1.00 0.00 N ATOM 315 CA ARG A 20 6.205 4.293 12.112 1.00 0.00 C ATOM 316 C ARG A 20 7.277 4.921 12.961 1.00 0.00 C ATOM 317 O ARG A 20 8.235 5.495 12.447 1.00 0.00 O ATOM 318 CB ARG A 20 5.127 5.360 11.797 1.00 0.00 C ATOM 319 CG ARG A 20 5.565 6.388 10.738 1.00 0.00 C ATOM 320 CD ARG A 20 4.430 7.280 10.203 1.00 0.00 C ATOM 321 NE ARG A 20 4.028 8.306 11.232 1.00 0.00 N ATOM 322 CZ ARG A 20 2.904 8.219 12.010 1.00 0.00 C ATOM 323 NH1 ARG A 20 2.126 7.101 12.013 1.00 0.00 N ATOM 324 NH2 ARG A 20 2.557 9.279 12.802 1.00 0.00 N ATOM 0 H ARG A 20 4.711 3.305 13.158 1.00 0.00 H new ATOM 0 HA ARG A 20 6.625 3.940 11.170 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.222 4.859 11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.869 5.886 12.716 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.338 7.025 11.167 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.018 5.857 9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.754 7.781 9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.570 6.664 9.941 1.00 0.00 H new ATOM 0 HE ARG A 20 4.633 9.118 11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.376 6.304 11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.294 7.060 12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.133 10.121 12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.722 9.227 13.386 1.00 0.00 H new ATOM 338 N GLU A 21 7.138 4.782 14.301 1.00 0.00 N ATOM 339 CA GLU A 21 8.047 5.313 15.288 1.00 0.00 C ATOM 340 C GLU A 21 9.356 4.567 15.295 1.00 0.00 C ATOM 341 O GLU A 21 10.375 5.119 15.701 1.00 0.00 O ATOM 342 CB GLU A 21 7.450 5.261 16.710 1.00 0.00 C ATOM 343 CG GLU A 21 6.134 6.050 16.820 1.00 0.00 C ATOM 344 CD GLU A 21 5.664 6.058 18.273 1.00 0.00 C ATOM 345 OE1 GLU A 21 5.387 4.953 18.811 1.00 0.00 O ATOM 346 OE2 GLU A 21 5.579 7.168 18.862 1.00 0.00 O ATOM 0 H GLU A 21 6.356 4.276 14.716 1.00 0.00 H new ATOM 0 HA GLU A 21 8.218 6.352 15.007 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.273 4.222 16.989 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.173 5.663 17.420 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.280 7.071 16.468 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.373 5.599 16.183 1.00 0.00 H new ATOM 353 N SER A 22 9.362 3.299 14.823 1.00 0.00 N ATOM 354 CA SER A 22 10.554 2.490 14.721 1.00 0.00 C ATOM 355 C SER A 22 11.322 2.899 13.492 1.00 0.00 C ATOM 356 O SER A 22 12.527 3.133 13.550 1.00 0.00 O ATOM 357 CB SER A 22 10.231 0.982 14.600 1.00 0.00 C ATOM 358 OG SER A 22 9.468 0.549 15.719 1.00 0.00 O ATOM 0 H SER A 22 8.519 2.822 14.504 1.00 0.00 H new ATOM 0 HA SER A 22 11.133 2.648 15.631 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.678 0.794 13.680 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.156 0.409 14.538 1.00 0.00 H new ATOM 0 HG SER A 22 9.269 -0.406 15.629 1.00 0.00 H new ATOM 364 N ILE A 23 10.602 3.008 12.349 1.00 0.00 N ATOM 365 CA ILE A 23 11.132 3.222 11.020 1.00 0.00 C ATOM 366 C ILE A 23 11.819 4.568 10.916 1.00 0.00 C ATOM 367 O ILE A 23 12.848 4.680 10.252 1.00 0.00 O ATOM 368 CB ILE A 23 10.023 3.065 9.971 1.00 0.00 C ATOM 369 CG1 ILE A 23 9.513 1.599 9.963 1.00 0.00 C ATOM 370 CG2 ILE A 23 10.496 3.478 8.559 1.00 0.00 C ATOM 371 CD1 ILE A 23 8.234 1.388 9.142 1.00 0.00 C ATOM 0 H ILE A 23 9.584 2.943 12.352 1.00 0.00 H new ATOM 0 HA ILE A 23 11.888 2.462 10.822 1.00 0.00 H new ATOM 0 HB ILE A 23 9.208 3.734 10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.297 0.954 9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.330 1.283 10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.678 3.350 7.850 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.807 4.523 8.570 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.337 2.853 8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.942 0.339 9.186 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.433 2.005 9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.416 1.671 8.105 1.00 0.00 H new ATOM 383 N LYS A 24 11.284 5.618 11.586 1.00 0.00 N ATOM 384 CA LYS A 24 11.792 6.972 11.477 1.00 0.00 C ATOM 385 C LYS A 24 13.080 7.190 12.238 1.00 0.00 C ATOM 386 O LYS A 24 13.745 8.205 12.040 1.00 0.00 O ATOM 387 CB LYS A 24 10.770 8.035 11.953 1.00 0.00 C ATOM 388 CG LYS A 24 10.419 7.971 13.451 1.00 0.00 C ATOM 389 CD LYS A 24 9.460 9.077 13.926 1.00 0.00 C ATOM 390 CE LYS A 24 8.045 8.980 13.338 1.00 0.00 C ATOM 391 NZ LYS A 24 7.164 10.025 13.914 1.00 0.00 N ATOM 0 H LYS A 24 10.486 5.530 12.215 1.00 0.00 H new ATOM 0 HA LYS A 24 11.982 7.096 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.167 9.025 11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.853 7.921 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.971 7.001 13.666 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.340 8.032 14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.392 9.041 15.013 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.884 10.047 13.665 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.088 9.091 12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.628 7.994 13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.212 9.942 13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.108 9.902 14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.553 10.965 13.698 1.00 0.00 H new ATOM 405 N ARG A 25 13.459 6.247 13.134 1.00 0.00 N ATOM 406 CA ARG A 25 14.671 6.337 13.915 1.00 0.00 C ATOM 407 C ARG A 25 15.776 5.653 13.164 1.00 0.00 C ATOM 408 O ARG A 25 16.927 6.084 13.211 1.00 0.00 O ATOM 409 CB ARG A 25 14.534 5.662 15.299 1.00 0.00 C ATOM 410 CG ARG A 25 13.463 6.335 16.174 1.00 0.00 C ATOM 411 CD ARG A 25 13.235 5.639 17.525 1.00 0.00 C ATOM 412 NE ARG A 25 14.434 5.846 18.411 1.00 0.00 N ATOM 413 CZ ARG A 25 14.579 6.923 19.247 1.00 0.00 C ATOM 414 NH1 ARG A 25 13.622 7.894 19.321 1.00 0.00 N ATOM 415 NH2 ARG A 25 15.702 7.026 20.018 1.00 0.00 N ATOM 0 H ARG A 25 12.914 5.405 13.321 1.00 0.00 H new ATOM 0 HA ARG A 25 14.883 7.394 14.076 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.281 4.610 15.164 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.494 5.696 15.814 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.753 7.370 16.354 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.522 6.359 15.625 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.342 6.040 18.005 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.064 4.574 17.372 1.00 0.00 H new ATOM 0 HE ARG A 25 15.178 5.148 18.388 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.781 7.826 18.748 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.748 8.688 19.949 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.423 6.306 19.968 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.820 7.823 20.643 1.00 0.00 H new ATOM 429 N GLU A 26 15.433 4.559 12.446 1.00 0.00 N ATOM 430 CA GLU A 26 16.363 3.747 11.700 1.00 0.00 C ATOM 431 C GLU A 26 16.748 4.455 10.428 1.00 0.00 C ATOM 432 O GLU A 26 17.930 4.605 10.124 1.00 0.00 O ATOM 433 CB GLU A 26 15.745 2.377 11.336 1.00 0.00 C ATOM 434 CG GLU A 26 15.444 1.517 12.578 1.00 0.00 C ATOM 435 CD GLU A 26 14.678 0.261 12.165 1.00 0.00 C ATOM 436 OE1 GLU A 26 13.537 0.407 11.650 1.00 0.00 O ATOM 437 OE2 GLU A 26 15.221 -0.859 12.363 1.00 0.00 O ATOM 0 H GLU A 26 14.471 4.226 12.382 1.00 0.00 H new ATOM 0 HA GLU A 26 17.240 3.583 12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.824 2.535 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.428 1.837 10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.374 1.240 13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.859 2.091 13.296 1.00 0.00 H new ATOM 444 N ASN A 27 15.735 4.913 9.660 1.00 0.00 N ATOM 445 CA ASN A 27 15.918 5.582 8.395 1.00 0.00 C ATOM 446 C ASN A 27 15.872 7.062 8.687 1.00 0.00 C ATOM 447 O ASN A 27 15.164 7.441 9.617 1.00 0.00 O ATOM 448 CB ASN A 27 14.786 5.276 7.384 1.00 0.00 C ATOM 449 CG ASN A 27 14.794 3.796 6.984 1.00 0.00 C ATOM 450 OD1 ASN A 27 15.423 3.425 5.986 1.00 0.00 O ATOM 451 ND2 ASN A 27 14.067 2.949 7.771 1.00 0.00 N ATOM 0 H ASN A 27 14.755 4.816 9.926 1.00 0.00 H new ATOM 0 HA ASN A 27 16.856 5.245 7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 27 13.822 5.533 7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 27 14.908 5.897 6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.024 1.955 7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.567 3.310 8.583 1.00 0.00 H new ATOM 458 N PRO A 28 16.585 7.936 7.979 1.00 0.00 N ATOM 459 CA PRO A 28 16.704 9.340 8.344 1.00 0.00 C ATOM 460 C PRO A 28 15.531 10.156 7.832 1.00 0.00 C ATOM 461 O PRO A 28 15.691 10.891 6.858 1.00 0.00 O ATOM 462 CB PRO A 28 18.016 9.769 7.660 1.00 0.00 C ATOM 463 CG PRO A 28 18.116 8.876 6.418 1.00 0.00 C ATOM 464 CD PRO A 28 17.513 7.561 6.908 1.00 0.00 C ATOM 0 HA PRO A 28 16.707 9.495 9.423 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.995 10.824 7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 28 18.872 9.627 8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.560 9.288 5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.148 8.752 6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 28 16.994 7.042 6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.286 6.887 7.276 1.00 0.00 H new ATOM 472 N GLY A 29 14.347 10.068 8.488 1.00 0.00 N ATOM 473 CA GLY A 29 13.203 10.905 8.195 1.00 0.00 C ATOM 474 C GLY A 29 12.589 10.533 6.876 1.00 0.00 C ATOM 475 O GLY A 29 12.538 11.341 5.950 1.00 0.00 O ATOM 0 H GLY A 29 14.179 9.400 9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.461 10.804 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.508 11.951 8.176 1.00 0.00 H new ATOM 479 N ILE A 30 12.128 9.270 6.773 1.00 0.00 N ATOM 480 CA ILE A 30 11.688 8.672 5.538 1.00 0.00 C ATOM 481 C ILE A 30 10.194 8.879 5.415 1.00 0.00 C ATOM 482 O ILE A 30 9.481 8.884 6.419 1.00 0.00 O ATOM 483 CB ILE A 30 12.118 7.207 5.502 1.00 0.00 C ATOM 484 CG1 ILE A 30 11.985 6.581 4.097 1.00 0.00 C ATOM 485 CG2 ILE A 30 11.410 6.395 6.608 1.00 0.00 C ATOM 486 CD1 ILE A 30 12.648 5.207 3.959 1.00 0.00 C ATOM 0 H ILE A 30 12.058 8.641 7.573 1.00 0.00 H new ATOM 0 HA ILE A 30 12.150 9.142 4.670 1.00 0.00 H new ATOM 0 HB ILE A 30 13.185 7.171 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.927 6.488 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.424 7.259 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.734 5.355 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.665 6.810 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.331 6.446 6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.510 4.837 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.714 5.294 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.193 4.511 4.664 1.00 0.00 H new ATOM 498 N LYS A 31 9.690 9.092 4.171 1.00 0.00 N ATOM 499 CA LYS A 31 8.286 9.325 3.901 1.00 0.00 C ATOM 500 C LYS A 31 7.715 8.019 3.426 1.00 0.00 C ATOM 501 O LYS A 31 8.453 7.085 3.131 1.00 0.00 O ATOM 502 CB LYS A 31 7.993 10.416 2.835 1.00 0.00 C ATOM 503 CG LYS A 31 8.382 11.850 3.255 1.00 0.00 C ATOM 504 CD LYS A 31 9.860 12.229 3.048 1.00 0.00 C ATOM 505 CE LYS A 31 10.235 12.438 1.572 1.00 0.00 C ATOM 506 NZ LYS A 31 11.705 12.481 1.397 1.00 0.00 N ATOM 0 H LYS A 31 10.271 9.103 3.333 1.00 0.00 H new ATOM 0 HA LYS A 31 7.834 9.695 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.527 10.163 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.929 10.397 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.764 12.553 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.137 11.979 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.074 13.143 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.491 11.446 3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.817 11.631 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.795 13.367 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.931 12.623 0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.098 13.266 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.120 11.584 1.722 1.00 0.00 H new ATOM 520 N VAL A 32 6.366 7.924 3.355 1.00 0.00 N ATOM 521 CA VAL A 32 5.633 6.686 3.178 1.00 0.00 C ATOM 522 C VAL A 32 5.838 6.051 1.820 1.00 0.00 C ATOM 523 O VAL A 32 5.747 4.832 1.685 1.00 0.00 O ATOM 524 CB VAL A 32 4.141 6.860 3.440 1.00 0.00 C ATOM 525 CG1 VAL A 32 3.950 7.271 4.916 1.00 0.00 C ATOM 526 CG2 VAL A 32 3.513 7.889 2.475 1.00 0.00 C ATOM 0 H VAL A 32 5.757 8.740 3.423 1.00 0.00 H new ATOM 0 HA VAL A 32 6.050 6.009 3.923 1.00 0.00 H new ATOM 0 HB VAL A 32 3.625 5.918 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.888 7.400 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.354 6.494 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.473 8.209 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.449 7.988 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.001 8.855 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.645 7.552 1.447 1.00 0.00 H new ATOM 536 N THR A 33 6.148 6.869 0.787 1.00 0.00 N ATOM 537 CA THR A 33 6.359 6.426 -0.572 1.00 0.00 C ATOM 538 C THR A 33 7.712 5.761 -0.693 1.00 0.00 C ATOM 539 O THR A 33 7.912 4.879 -1.528 1.00 0.00 O ATOM 540 CB THR A 33 6.246 7.584 -1.560 1.00 0.00 C ATOM 541 OG1 THR A 33 7.034 8.700 -1.150 1.00 0.00 O ATOM 542 CG2 THR A 33 4.765 8.016 -1.641 1.00 0.00 C ATOM 0 H THR A 33 6.256 7.877 0.900 1.00 0.00 H new ATOM 0 HA THR A 33 5.580 5.704 -0.818 1.00 0.00 H new ATOM 0 HB THR A 33 6.612 7.250 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.941 9.424 -1.804 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.665 8.844 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.159 7.176 -1.981 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.424 8.333 -0.656 1.00 0.00 H new ATOM 550 N GLU A 34 8.666 6.175 0.168 1.00 0.00 N ATOM 551 CA GLU A 34 10.030 5.717 0.171 1.00 0.00 C ATOM 552 C GLU A 34 10.159 4.485 1.038 1.00 0.00 C ATOM 553 O GLU A 34 11.087 3.697 0.865 1.00 0.00 O ATOM 554 CB GLU A 34 10.967 6.813 0.720 1.00 0.00 C ATOM 555 CG GLU A 34 10.898 8.138 -0.062 1.00 0.00 C ATOM 556 CD GLU A 34 11.783 9.180 0.618 1.00 0.00 C ATOM 557 OE1 GLU A 34 11.577 9.428 1.837 1.00 0.00 O ATOM 558 OE2 GLU A 34 12.662 9.764 -0.069 1.00 0.00 O ATOM 0 H GLU A 34 8.478 6.862 0.898 1.00 0.00 H new ATOM 0 HA GLU A 34 10.313 5.480 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.715 7.004 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.992 6.444 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.226 7.983 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.868 8.493 -0.106 1.00 0.00 H new ATOM 565 N VAL A 35 9.203 4.272 1.980 1.00 0.00 N ATOM 566 CA VAL A 35 9.133 3.103 2.841 1.00 0.00 C ATOM 567 C VAL A 35 8.670 1.916 2.027 1.00 0.00 C ATOM 568 O VAL A 35 9.009 0.771 2.330 1.00 0.00 O ATOM 569 CB VAL A 35 8.227 3.333 4.053 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.945 2.041 4.848 1.00 0.00 C ATOM 571 CG2 VAL A 35 8.919 4.347 4.982 1.00 0.00 C ATOM 0 H VAL A 35 8.449 4.937 2.151 1.00 0.00 H new ATOM 0 HA VAL A 35 10.129 2.905 3.238 1.00 0.00 H new ATOM 0 HB VAL A 35 7.268 3.700 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.298 2.269 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.453 1.315 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.885 1.625 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.292 4.528 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.881 3.948 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.075 5.284 4.447 1.00 0.00 H new ATOM 581 N ALA A 36 7.921 2.171 0.925 1.00 0.00 N ATOM 582 CA ALA A 36 7.470 1.152 0.005 1.00 0.00 C ATOM 583 C ALA A 36 8.623 0.533 -0.748 1.00 0.00 C ATOM 584 O ALA A 36 8.541 -0.619 -1.167 1.00 0.00 O ATOM 585 CB ALA A 36 6.473 1.700 -1.028 1.00 0.00 C ATOM 0 H ALA A 36 7.621 3.111 0.666 1.00 0.00 H new ATOM 0 HA ALA A 36 6.977 0.400 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.163 0.897 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.600 2.101 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.948 2.492 -1.608 1.00 0.00 H new ATOM 591 N LYS A 37 9.749 1.275 -0.890 1.00 0.00 N ATOM 592 CA LYS A 37 10.978 0.789 -1.480 1.00 0.00 C ATOM 593 C LYS A 37 11.819 0.128 -0.410 1.00 0.00 C ATOM 594 O LYS A 37 13.001 0.435 -0.257 1.00 0.00 O ATOM 595 CB LYS A 37 11.799 1.940 -2.117 1.00 0.00 C ATOM 596 CG LYS A 37 11.153 2.553 -3.373 1.00 0.00 C ATOM 597 CD LYS A 37 11.220 1.665 -4.634 1.00 0.00 C ATOM 598 CE LYS A 37 12.641 1.344 -5.134 1.00 0.00 C ATOM 599 NZ LYS A 37 13.416 2.575 -5.421 1.00 0.00 N ATOM 0 H LYS A 37 9.808 2.246 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 37 10.716 0.077 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.940 2.725 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.789 1.565 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.108 2.774 -3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.641 3.503 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.704 0.727 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.672 2.159 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.165 0.752 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.580 0.735 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.342 2.318 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.896 3.161 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.555 3.111 -4.541 1.00 0.00 H new ATOM 613 N ARG A 38 11.208 -0.828 0.334 1.00 0.00 N ATOM 614 CA ARG A 38 11.823 -1.711 1.300 1.00 0.00 C ATOM 615 C ARG A 38 12.529 -0.956 2.404 1.00 0.00 C ATOM 616 O ARG A 38 13.660 -1.265 2.775 1.00 0.00 O ATOM 617 CB ARG A 38 12.742 -2.763 0.619 1.00 0.00 C ATOM 618 CG ARG A 38 13.005 -4.060 1.411 1.00 0.00 C ATOM 619 CD ARG A 38 11.747 -4.914 1.641 1.00 0.00 C ATOM 620 NE ARG A 38 12.156 -6.252 2.196 1.00 0.00 N ATOM 621 CZ ARG A 38 12.456 -7.337 1.412 1.00 0.00 C ATOM 622 NH1 ARG A 38 12.334 -7.283 0.054 1.00 0.00 N ATOM 623 NH2 ARG A 38 12.890 -8.488 2.003 1.00 0.00 N ATOM 0 H ARG A 38 10.205 -0.996 0.253 1.00 0.00 H new ATOM 0 HA ARG A 38 11.015 -2.263 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.300 -3.032 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.702 -2.292 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 38 13.745 -4.657 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.440 -3.803 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.072 -4.410 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.205 -5.045 0.705 1.00 0.00 H new ATOM 0 HE ARG A 38 12.213 -6.358 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.015 -6.425 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.562 -8.101 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.988 -8.535 3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.116 -9.301 1.431 1.00 0.00 H new ATOM 637 N GLY A 39 11.847 0.073 2.956 1.00 0.00 N ATOM 638 CA GLY A 39 12.396 0.936 3.975 1.00 0.00 C ATOM 639 C GLY A 39 12.028 0.416 5.329 1.00 0.00 C ATOM 640 O GLY A 39 12.722 0.679 6.308 1.00 0.00 O ATOM 0 H GLY A 39 10.892 0.313 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.480 0.986 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.017 1.950 3.849 1.00 0.00 H new ATOM 644 N GLY A 40 10.911 -0.346 5.415 1.00 0.00 N ATOM 645 CA GLY A 40 10.443 -0.922 6.651 1.00 0.00 C ATOM 646 C GLY A 40 11.234 -2.161 6.932 1.00 0.00 C ATOM 647 O GLY A 40 11.932 -2.223 7.940 1.00 0.00 O ATOM 0 H GLY A 40 10.322 -0.566 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.556 -0.208 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.382 -1.159 6.579 1.00 0.00 H new ATOM 651 N GLU A 41 11.114 -3.161 6.019 1.00 0.00 N ATOM 652 CA GLU A 41 11.796 -4.443 5.953 1.00 0.00 C ATOM 653 C GLU A 41 11.493 -5.429 7.061 1.00 0.00 C ATOM 654 O GLU A 41 11.555 -6.637 6.840 1.00 0.00 O ATOM 655 CB GLU A 41 13.311 -4.412 5.605 1.00 0.00 C ATOM 656 CG GLU A 41 14.280 -4.020 6.735 1.00 0.00 C ATOM 657 CD GLU A 41 15.718 -4.187 6.245 1.00 0.00 C ATOM 658 OE1 GLU A 41 16.096 -5.343 5.913 1.00 0.00 O ATOM 659 OE2 GLU A 41 16.454 -3.167 6.194 1.00 0.00 O ATOM 0 H GLU A 41 10.465 -3.059 5.238 1.00 0.00 H new ATOM 0 HA GLU A 41 11.307 -4.845 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.595 -5.400 5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.455 -3.716 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.104 -2.988 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.107 -4.644 7.611 1.00 0.00 H new ATOM 666 N LEU A 42 11.119 -4.938 8.266 1.00 0.00 N ATOM 667 CA LEU A 42 10.799 -5.721 9.438 1.00 0.00 C ATOM 668 C LEU A 42 9.441 -6.364 9.305 1.00 0.00 C ATOM 669 O LEU A 42 9.080 -7.203 10.124 1.00 0.00 O ATOM 670 CB LEU A 42 10.774 -4.851 10.719 1.00 0.00 C ATOM 671 CG LEU A 42 12.120 -4.169 11.072 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.920 -3.093 12.159 1.00 0.00 C ATOM 673 CD2 LEU A 42 13.202 -5.183 11.491 1.00 0.00 C ATOM 0 H LEU A 42 11.034 -3.935 8.434 1.00 0.00 H new ATOM 0 HA LEU A 42 11.578 -6.480 9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.013 -4.080 10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.469 -5.475 11.559 1.00 0.00 H new ATOM 0 HG LEU A 42 12.479 -3.684 10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.878 -2.628 12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.226 -2.334 11.797 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.514 -3.556 13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.125 -4.653 11.728 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.864 -5.734 12.369 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.383 -5.880 10.673 1.00 0.00 H new ATOM 685 N TRP A 43 8.671 -5.997 8.251 1.00 0.00 N ATOM 686 CA TRP A 43 7.387 -6.565 7.907 1.00 0.00 C ATOM 687 C TRP A 43 7.557 -7.970 7.386 1.00 0.00 C ATOM 688 O TRP A 43 6.697 -8.822 7.603 1.00 0.00 O ATOM 689 CB TRP A 43 6.687 -5.720 6.800 1.00 0.00 C ATOM 690 CG TRP A 43 5.404 -6.278 6.190 1.00 0.00 C ATOM 691 CD1 TRP A 43 5.180 -6.654 4.893 1.00 0.00 C ATOM 692 CD2 TRP A 43 4.185 -6.559 6.906 1.00 0.00 C ATOM 693 NE1 TRP A 43 3.902 -7.139 4.746 1.00 0.00 N ATOM 694 CE2 TRP A 43 3.271 -7.091 5.972 1.00 0.00 C ATOM 695 CE3 TRP A 43 3.835 -6.395 8.244 1.00 0.00 C ATOM 696 CZ2 TRP A 43 1.986 -7.463 6.360 1.00 0.00 C ATOM 697 CZ3 TRP A 43 2.541 -6.771 8.634 1.00 0.00 C ATOM 698 CH2 TRP A 43 1.629 -7.292 7.706 1.00 0.00 C ATOM 0 H TRP A 43 8.959 -5.264 7.603 1.00 0.00 H new ATOM 0 HA TRP A 43 6.777 -6.569 8.810 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.461 -4.739 7.219 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.403 -5.565 5.993 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.906 -6.580 4.097 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.490 -7.477 3.877 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.537 -5.991 8.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.286 -7.871 5.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.243 -6.657 9.666 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.636 -7.566 8.032 1.00 0.00 H new ATOM 709 N ARG A 44 8.671 -8.226 6.658 1.00 0.00 N ATOM 710 CA ARG A 44 8.860 -9.429 5.883 1.00 0.00 C ATOM 711 C ARG A 44 9.019 -10.620 6.791 1.00 0.00 C ATOM 712 O ARG A 44 8.356 -11.640 6.610 1.00 0.00 O ATOM 713 CB ARG A 44 10.080 -9.314 4.936 1.00 0.00 C ATOM 714 CG ARG A 44 9.923 -10.086 3.613 1.00 0.00 C ATOM 715 CD ARG A 44 8.925 -9.408 2.659 1.00 0.00 C ATOM 716 NE ARG A 44 8.974 -10.083 1.318 1.00 0.00 N ATOM 717 CZ ARG A 44 8.493 -9.491 0.181 1.00 0.00 C ATOM 718 NH1 ARG A 44 7.979 -8.228 0.213 1.00 0.00 N ATOM 719 NH2 ARG A 44 8.520 -10.176 -1.000 1.00 0.00 N ATOM 0 H ARG A 44 9.460 -7.581 6.606 1.00 0.00 H new ATOM 0 HA ARG A 44 7.971 -9.565 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.255 -8.262 4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.966 -9.680 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.894 -10.166 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.588 -11.101 3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.917 -9.465 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.167 -8.350 2.554 1.00 0.00 H new ATOM 0 HE ARG A 44 9.380 -11.016 1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.949 -7.712 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.624 -7.800 -0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.897 -11.123 -1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.163 -9.740 -1.850 1.00 0.00 H new ATOM 733 N ALA A 45 9.887 -10.479 7.818 1.00 0.00 N ATOM 734 CA ALA A 45 10.017 -11.433 8.887 1.00 0.00 C ATOM 735 C ALA A 45 9.656 -10.668 10.124 1.00 0.00 C ATOM 736 O ALA A 45 10.521 -10.083 10.774 1.00 0.00 O ATOM 737 CB ALA A 45 11.446 -11.993 9.026 1.00 0.00 C ATOM 0 H ALA A 45 10.515 -9.680 7.907 1.00 0.00 H new ATOM 0 HA ALA A 45 9.380 -12.298 8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.479 -12.707 9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.732 -12.493 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.139 -11.176 9.227 1.00 0.00 H new ATOM 743 N MET A 46 8.343 -10.638 10.453 1.00 0.00 N ATOM 744 CA MET A 46 7.814 -9.882 11.562 1.00 0.00 C ATOM 745 C MET A 46 7.463 -10.878 12.630 1.00 0.00 C ATOM 746 O MET A 46 8.316 -11.253 13.434 1.00 0.00 O ATOM 747 CB MET A 46 6.615 -8.992 11.136 1.00 0.00 C ATOM 748 CG MET A 46 6.289 -7.838 12.109 1.00 0.00 C ATOM 749 SD MET A 46 5.024 -8.184 13.370 1.00 0.00 S ATOM 750 CE MET A 46 3.611 -8.113 12.231 1.00 0.00 C ATOM 0 H MET A 46 7.630 -11.152 9.935 1.00 0.00 H new ATOM 0 HA MET A 46 8.550 -9.175 11.944 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.824 -8.571 10.152 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.732 -9.622 11.032 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.209 -7.548 12.617 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.963 -6.978 11.524 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.689 -8.299 12.782 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.565 -7.127 11.770 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.730 -8.871 11.456 1.00 0.00 H new ATOM 760 N LYS A 47 6.198 -11.347 12.653 1.00 0.00 N ATOM 761 CA LYS A 47 5.752 -12.353 13.573 1.00 0.00 C ATOM 762 C LYS A 47 4.752 -13.125 12.765 1.00 0.00 C ATOM 763 O LYS A 47 5.125 -14.051 12.048 1.00 0.00 O ATOM 764 CB LYS A 47 5.153 -11.758 14.878 1.00 0.00 C ATOM 765 CG LYS A 47 4.834 -12.786 15.981 1.00 0.00 C ATOM 766 CD LYS A 47 5.945 -12.964 17.038 1.00 0.00 C ATOM 767 CE LYS A 47 7.268 -13.538 16.508 1.00 0.00 C ATOM 768 NZ LYS A 47 8.255 -13.703 17.603 1.00 0.00 N ATOM 0 H LYS A 47 5.470 -11.020 12.018 1.00 0.00 H new ATOM 0 HA LYS A 47 6.564 -12.977 13.946 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.853 -11.024 15.279 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.238 -11.222 14.627 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.916 -12.484 16.486 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.638 -13.751 15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.146 -11.996 17.497 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.573 -13.619 17.826 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.085 -14.501 16.031 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.675 -12.876 15.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.139 -14.092 17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.445 -12.779 18.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.874 -14.354 18.319 1.00 0.00 H new ATOM 782 N ASP A 48 3.462 -12.731 12.834 1.00 0.00 N ATOM 783 CA ASP A 48 2.404 -13.270 12.020 1.00 0.00 C ATOM 784 C ASP A 48 1.749 -12.055 11.430 1.00 0.00 C ATOM 785 O ASP A 48 2.177 -10.931 11.683 1.00 0.00 O ATOM 786 CB ASP A 48 1.356 -14.082 12.823 1.00 0.00 C ATOM 787 CG ASP A 48 2.012 -15.336 13.401 1.00 0.00 C ATOM 788 OD1 ASP A 48 2.398 -16.223 12.594 1.00 0.00 O ATOM 789 OD2 ASP A 48 2.131 -15.425 14.653 1.00 0.00 O ATOM 0 H ASP A 48 3.142 -12.010 13.481 1.00 0.00 H new ATOM 0 HA ASP A 48 2.805 -13.970 11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.946 -13.471 13.627 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.523 -14.360 12.177 1.00 0.00 H new ATOM 794 N LYS A 49 0.702 -12.258 10.601 1.00 0.00 N ATOM 795 CA LYS A 49 -0.042 -11.187 9.974 1.00 0.00 C ATOM 796 C LYS A 49 -1.411 -11.150 10.604 1.00 0.00 C ATOM 797 O LYS A 49 -2.223 -10.289 10.272 1.00 0.00 O ATOM 798 CB LYS A 49 -0.234 -11.383 8.446 1.00 0.00 C ATOM 799 CG LYS A 49 1.019 -11.126 7.581 1.00 0.00 C ATOM 800 CD LYS A 49 2.092 -12.229 7.606 1.00 0.00 C ATOM 801 CE LYS A 49 3.280 -11.959 6.667 1.00 0.00 C ATOM 802 NZ LYS A 49 2.860 -11.929 5.246 1.00 0.00 N ATOM 0 H LYS A 49 0.360 -13.187 10.357 1.00 0.00 H new ATOM 0 HA LYS A 49 0.524 -10.267 10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.574 -12.403 8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.029 -10.718 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.700 -10.980 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.477 -10.193 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.464 -12.339 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.631 -13.178 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.743 -11.008 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.037 -12.731 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.702 -11.915 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.293 -12.774 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.291 -11.077 5.070 1.00 0.00 H new ATOM 816 N SER A 50 -1.684 -12.090 11.542 1.00 0.00 N ATOM 817 CA SER A 50 -2.981 -12.398 12.103 1.00 0.00 C ATOM 818 C SER A 50 -3.613 -11.232 12.814 1.00 0.00 C ATOM 819 O SER A 50 -4.834 -11.080 12.799 1.00 0.00 O ATOM 820 CB SER A 50 -2.879 -13.554 13.125 1.00 0.00 C ATOM 821 OG SER A 50 -2.280 -14.696 12.525 1.00 0.00 O ATOM 0 H SER A 50 -0.948 -12.676 11.936 1.00 0.00 H new ATOM 0 HA SER A 50 -3.602 -12.673 11.250 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.290 -13.236 13.985 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.872 -13.809 13.495 1.00 0.00 H new ATOM 0 HG SER A 50 -2.221 -15.419 13.184 1.00 0.00 H new ATOM 827 N GLU A 51 -2.777 -10.378 13.448 1.00 0.00 N ATOM 828 CA GLU A 51 -3.186 -9.250 14.251 1.00 0.00 C ATOM 829 C GLU A 51 -3.889 -8.215 13.413 1.00 0.00 C ATOM 830 O GLU A 51 -4.931 -7.691 13.797 1.00 0.00 O ATOM 831 CB GLU A 51 -1.994 -8.536 14.946 1.00 0.00 C ATOM 832 CG GLU A 51 -1.050 -9.467 15.737 1.00 0.00 C ATOM 833 CD GLU A 51 -0.040 -10.137 14.804 1.00 0.00 C ATOM 834 OE1 GLU A 51 0.784 -9.402 14.200 1.00 0.00 O ATOM 835 OE2 GLU A 51 -0.096 -11.387 14.668 1.00 0.00 O ATOM 0 H GLU A 51 -1.763 -10.478 13.399 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.850 -9.666 15.008 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.412 -8.011 14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.388 -7.780 15.625 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.523 -8.894 16.500 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.633 -10.228 16.256 1.00 0.00 H new ATOM 842 N TRP A 52 -3.309 -7.909 12.234 1.00 0.00 N ATOM 843 CA TRP A 52 -3.712 -6.811 11.389 1.00 0.00 C ATOM 844 C TRP A 52 -4.891 -7.198 10.545 1.00 0.00 C ATOM 845 O TRP A 52 -5.721 -6.360 10.202 1.00 0.00 O ATOM 846 CB TRP A 52 -2.549 -6.352 10.478 1.00 0.00 C ATOM 847 CG TRP A 52 -1.299 -6.044 11.280 1.00 0.00 C ATOM 848 CD1 TRP A 52 -0.148 -6.774 11.389 1.00 0.00 C ATOM 849 CD2 TRP A 52 -1.187 -4.965 12.226 1.00 0.00 C ATOM 850 NE1 TRP A 52 0.681 -6.220 12.336 1.00 0.00 N ATOM 851 CE2 TRP A 52 0.061 -5.107 12.866 1.00 0.00 C ATOM 852 CE3 TRP A 52 -2.061 -3.938 12.573 1.00 0.00 C ATOM 853 CZ2 TRP A 52 0.460 -4.219 13.861 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -1.659 -3.040 13.572 1.00 0.00 C ATOM 855 CH2 TRP A 52 -0.418 -3.181 14.209 1.00 0.00 C ATOM 0 H TRP A 52 -2.530 -8.444 11.851 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.994 -5.982 12.038 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.330 -7.130 9.747 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.851 -5.466 9.920 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.078 -7.659 10.813 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.600 -6.573 12.602 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.020 -3.836 12.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.417 -4.326 14.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.314 -2.229 13.855 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.133 -2.480 14.980 1.00 0.00 H new ATOM 866 N GLU A 53 -5.005 -8.506 10.224 1.00 0.00 N ATOM 867 CA GLU A 53 -6.103 -9.066 9.472 1.00 0.00 C ATOM 868 C GLU A 53 -7.345 -9.129 10.328 1.00 0.00 C ATOM 869 O GLU A 53 -8.460 -9.029 9.819 1.00 0.00 O ATOM 870 CB GLU A 53 -5.765 -10.485 8.968 1.00 0.00 C ATOM 871 CG GLU A 53 -4.628 -10.481 7.925 1.00 0.00 C ATOM 872 CD GLU A 53 -4.177 -11.901 7.575 1.00 0.00 C ATOM 873 OE1 GLU A 53 -4.766 -12.878 8.110 1.00 0.00 O ATOM 874 OE2 GLU A 53 -3.221 -12.019 6.764 1.00 0.00 O ATOM 0 H GLU A 53 -4.310 -9.201 10.496 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.280 -8.419 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.477 -11.109 9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.656 -10.934 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.965 -9.973 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.781 -9.915 8.312 1.00 0.00 H new ATOM 881 N ALA A 54 -7.170 -9.266 11.664 1.00 0.00 N ATOM 882 CA ALA A 54 -8.249 -9.310 12.624 1.00 0.00 C ATOM 883 C ALA A 54 -8.821 -7.933 12.853 1.00 0.00 C ATOM 884 O ALA A 54 -10.014 -7.788 13.114 1.00 0.00 O ATOM 885 CB ALA A 54 -7.791 -9.868 13.984 1.00 0.00 C ATOM 0 H ALA A 54 -6.248 -9.349 12.092 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.006 -9.971 12.202 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.635 -9.883 14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.412 -10.882 13.852 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.001 -9.235 14.390 1.00 0.00 H new ATOM 891 N LYS A 55 -7.980 -6.877 12.736 1.00 0.00 N ATOM 892 CA LYS A 55 -8.403 -5.499 12.877 1.00 0.00 C ATOM 893 C LYS A 55 -9.116 -5.039 11.631 1.00 0.00 C ATOM 894 O LYS A 55 -9.960 -4.147 11.689 1.00 0.00 O ATOM 895 CB LYS A 55 -7.218 -4.537 13.132 1.00 0.00 C ATOM 896 CG LYS A 55 -6.541 -4.719 14.503 1.00 0.00 C ATOM 897 CD LYS A 55 -7.432 -4.327 15.696 1.00 0.00 C ATOM 898 CE LYS A 55 -6.745 -4.471 17.064 1.00 0.00 C ATOM 899 NZ LYS A 55 -5.585 -3.557 17.192 1.00 0.00 N ATOM 0 H LYS A 55 -6.984 -6.979 12.539 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.068 -5.471 13.740 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.473 -4.681 12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.574 -3.510 13.048 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.241 -5.761 14.613 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.631 -4.120 14.530 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.756 -3.294 15.570 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.329 -4.946 15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.463 -4.261 17.856 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.414 -5.501 17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.219 -3.594 18.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.838 -3.849 16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.883 -2.585 16.971 1.00 0.00 H new ATOM 913 N ALA A 56 -8.813 -5.673 10.471 1.00 0.00 N ATOM 914 CA ALA A 56 -9.431 -5.371 9.200 1.00 0.00 C ATOM 915 C ALA A 56 -10.815 -5.972 9.110 1.00 0.00 C ATOM 916 O ALA A 56 -11.593 -5.621 8.223 1.00 0.00 O ATOM 917 CB ALA A 56 -8.599 -5.909 8.021 1.00 0.00 C ATOM 0 H ALA A 56 -8.118 -6.417 10.415 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.490 -4.284 9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.096 -5.662 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.608 -5.455 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.503 -6.991 8.107 1.00 0.00 H new ATOM 923 N ALA A 57 -11.164 -6.879 10.056 1.00 0.00 N ATOM 924 CA ALA A 57 -12.473 -7.479 10.153 1.00 0.00 C ATOM 925 C ALA A 57 -13.441 -6.500 10.764 1.00 0.00 C ATOM 926 O ALA A 57 -14.617 -6.489 10.408 1.00 0.00 O ATOM 927 CB ALA A 57 -12.475 -8.754 11.017 1.00 0.00 C ATOM 0 H ALA A 57 -10.517 -7.204 10.774 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.770 -7.747 9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.484 -9.165 11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.800 -9.490 10.580 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.142 -8.510 12.026 1.00 0.00 H new ATOM 933 N LYS A 58 -12.951 -5.626 11.679 1.00 0.00 N ATOM 934 CA LYS A 58 -13.747 -4.608 12.330 1.00 0.00 C ATOM 935 C LYS A 58 -14.092 -3.506 11.363 1.00 0.00 C ATOM 936 O LYS A 58 -15.135 -2.867 11.483 1.00 0.00 O ATOM 937 CB LYS A 58 -13.021 -3.931 13.516 1.00 0.00 C ATOM 938 CG LYS A 58 -12.670 -4.892 14.662 1.00 0.00 C ATOM 939 CD LYS A 58 -12.050 -4.187 15.884 1.00 0.00 C ATOM 940 CE LYS A 58 -13.031 -3.267 16.631 1.00 0.00 C ATOM 941 NZ LYS A 58 -12.391 -2.622 17.801 1.00 0.00 N ATOM 0 H LYS A 58 -11.975 -5.626 11.975 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.632 -5.130 12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.105 -3.467 13.151 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.651 -3.131 13.906 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.572 -5.418 14.974 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.973 -5.645 14.294 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.675 -4.941 16.576 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.192 -3.599 15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.402 -2.501 15.950 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.894 -3.846 16.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.081 -2.009 18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.059 -3.353 18.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.583 -2.050 17.483 1.00 0.00 H new ATOM 955 N ALA A 59 -13.210 -3.277 10.362 1.00 0.00 N ATOM 956 CA ALA A 59 -13.375 -2.260 9.351 1.00 0.00 C ATOM 957 C ALA A 59 -14.415 -2.668 8.338 1.00 0.00 C ATOM 958 O ALA A 59 -14.923 -1.830 7.597 1.00 0.00 O ATOM 959 CB ALA A 59 -12.057 -2.001 8.596 1.00 0.00 C ATOM 0 H ALA A 59 -12.352 -3.817 10.251 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.689 -1.354 9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.215 -1.230 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.294 -1.669 9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.728 -2.921 8.112 1.00 0.00 H new ATOM 965 N LYS A 60 -14.765 -3.974 8.305 1.00 0.00 N ATOM 966 CA LYS A 60 -15.741 -4.540 7.408 1.00 0.00 C ATOM 967 C LYS A 60 -17.118 -4.362 7.996 1.00 0.00 C ATOM 968 O LYS A 60 -18.096 -4.185 7.271 1.00 0.00 O ATOM 969 CB LYS A 60 -15.451 -6.039 7.167 1.00 0.00 C ATOM 970 CG LYS A 60 -16.189 -6.643 5.961 1.00 0.00 C ATOM 971 CD LYS A 60 -15.806 -8.100 5.631 1.00 0.00 C ATOM 972 CE LYS A 60 -14.496 -8.283 4.838 1.00 0.00 C ATOM 973 NZ LYS A 60 -13.280 -8.047 5.655 1.00 0.00 N ATOM 0 H LYS A 60 -14.351 -4.666 8.930 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.687 -4.026 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.378 -6.171 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.724 -6.598 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -17.262 -6.598 6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.993 -6.024 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.724 -8.656 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.620 -8.550 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.463 -9.294 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.494 -7.599 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.496 -8.621 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.023 -7.040 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.468 -8.314 6.642 1.00 0.00 H new ATOM 987 N ASP A 61 -17.214 -4.364 9.349 1.00 0.00 N ATOM 988 CA ASP A 61 -18.445 -4.114 10.072 1.00 0.00 C ATOM 989 C ASP A 61 -18.767 -2.644 10.003 1.00 0.00 C ATOM 990 O ASP A 61 -19.929 -2.256 9.889 1.00 0.00 O ATOM 991 CB ASP A 61 -18.355 -4.485 11.575 1.00 0.00 C ATOM 992 CG ASP A 61 -18.098 -5.982 11.740 1.00 0.00 C ATOM 993 OD1 ASP A 61 -18.921 -6.785 11.224 1.00 0.00 O ATOM 994 OD2 ASP A 61 -17.081 -6.340 12.391 1.00 0.00 O ATOM 0 H ASP A 61 -16.417 -4.544 9.959 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.209 -4.735 9.604 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -17.554 -3.918 12.049 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.281 -4.211 12.080 1.00 0.00 H new ATOM 999 N ASP A 62 -17.715 -1.793 10.052 1.00 0.00 N ATOM 1000 CA ASP A 62 -17.831 -0.354 10.017 1.00 0.00 C ATOM 1001 C ASP A 62 -18.132 0.112 8.610 1.00 0.00 C ATOM 1002 O ASP A 62 -18.676 1.196 8.423 1.00 0.00 O ATOM 1003 CB ASP A 62 -16.540 0.332 10.539 1.00 0.00 C ATOM 1004 CG ASP A 62 -16.769 1.819 10.830 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -17.668 2.128 11.658 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -16.049 2.658 10.227 1.00 0.00 O ATOM 0 H ASP A 62 -16.750 -2.116 10.118 1.00 0.00 H new ATOM 0 HA ASP A 62 -18.653 -0.070 10.674 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.203 -0.169 11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -15.746 0.223 9.801 1.00 0.00 H new ATOM 1011 N TYR A 63 -17.818 -0.720 7.586 1.00 0.00 N ATOM 1012 CA TYR A 63 -18.113 -0.449 6.194 1.00 0.00 C ATOM 1013 C TYR A 63 -19.609 -0.494 5.985 1.00 0.00 C ATOM 1014 O TYR A 63 -20.160 0.367 5.303 1.00 0.00 O ATOM 1015 CB TYR A 63 -17.412 -1.465 5.245 1.00 0.00 C ATOM 1016 CG TYR A 63 -17.658 -1.182 3.781 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -17.108 -0.046 3.162 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -18.464 -2.047 3.019 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -17.363 0.222 1.811 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -18.716 -1.784 1.667 1.00 0.00 C ATOM 1021 CZ TYR A 63 -18.163 -0.649 1.059 1.00 0.00 C ATOM 1022 OH TYR A 63 -18.420 -0.395 -0.307 1.00 0.00 O ATOM 0 H TYR A 63 -17.343 -1.611 7.729 1.00 0.00 H new ATOM 0 HA TYR A 63 -17.730 0.542 5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -16.339 -1.449 5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -17.762 -2.471 5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.484 0.626 3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -18.893 -2.923 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -16.942 1.102 1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.337 -2.456 1.093 1.00 0.00 H new ATOM 0 HH TYR A 63 -18.992 -1.103 -0.669 1.00 0.00 H new ATOM 1032 N ASP A 64 -20.294 -1.489 6.601 1.00 0.00 N ATOM 1033 CA ASP A 64 -21.724 -1.695 6.499 1.00 0.00 C ATOM 1034 C ASP A 64 -22.470 -0.545 7.140 1.00 0.00 C ATOM 1035 O ASP A 64 -23.517 -0.119 6.653 1.00 0.00 O ATOM 1036 CB ASP A 64 -22.144 -3.030 7.178 1.00 0.00 C ATOM 1037 CG ASP A 64 -23.601 -3.393 6.872 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -23.921 -3.587 5.668 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -24.406 -3.482 7.837 1.00 0.00 O ATOM 0 H ASP A 64 -19.835 -2.180 7.195 1.00 0.00 H new ATOM 0 HA ASP A 64 -21.979 -1.745 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.490 -3.833 6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -22.009 -2.947 8.256 1.00 0.00 H new ATOM 1044 N ARG A 65 -21.908 0.001 8.243 1.00 0.00 N ATOM 1045 CA ARG A 65 -22.463 1.119 8.963 1.00 0.00 C ATOM 1046 C ARG A 65 -22.308 2.385 8.156 1.00 0.00 C ATOM 1047 O ARG A 65 -23.252 3.157 8.018 1.00 0.00 O ATOM 1048 CB ARG A 65 -21.764 1.304 10.332 1.00 0.00 C ATOM 1049 CG ARG A 65 -22.412 2.369 11.234 1.00 0.00 C ATOM 1050 CD ARG A 65 -21.685 2.522 12.575 1.00 0.00 C ATOM 1051 NE ARG A 65 -22.408 3.564 13.385 1.00 0.00 N ATOM 1052 CZ ARG A 65 -21.785 4.547 14.107 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -20.424 4.648 14.141 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -22.544 5.444 14.803 1.00 0.00 N ATOM 0 H ARG A 65 -21.039 -0.347 8.648 1.00 0.00 H new ATOM 0 HA ARG A 65 -23.520 0.914 9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -21.764 0.350 10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -20.722 1.574 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -22.416 3.327 10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -23.453 2.102 11.417 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -21.666 1.571 13.108 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -20.648 2.817 12.414 1.00 0.00 H new ATOM 0 HE ARG A 65 -23.428 3.536 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.850 3.983 13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.981 5.388 14.685 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -23.562 5.377 14.781 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -22.093 6.181 15.345 1.00 0.00 H new ATOM 1068 N ALA A 66 -21.100 2.608 7.588 1.00 0.00 N ATOM 1069 CA ALA A 66 -20.712 3.826 6.914 1.00 0.00 C ATOM 1070 C ALA A 66 -21.512 4.086 5.666 1.00 0.00 C ATOM 1071 O ALA A 66 -21.868 5.230 5.391 1.00 0.00 O ATOM 1072 CB ALA A 66 -19.225 3.809 6.512 1.00 0.00 C ATOM 0 H ALA A 66 -20.358 1.908 7.598 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.904 4.617 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -18.974 4.742 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.608 3.701 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.040 2.972 5.839 1.00 0.00 H new ATOM 1078 N VAL A 67 -21.828 3.021 4.885 1.00 0.00 N ATOM 1079 CA VAL A 67 -22.545 3.148 3.634 1.00 0.00 C ATOM 1080 C VAL A 67 -24.011 3.447 3.858 1.00 0.00 C ATOM 1081 O VAL A 67 -24.700 3.879 2.938 1.00 0.00 O ATOM 1082 CB VAL A 67 -22.405 1.950 2.701 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -20.926 1.831 2.275 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -22.945 0.657 3.349 1.00 0.00 C ATOM 0 H VAL A 67 -21.584 2.060 5.123 1.00 0.00 H new ATOM 0 HA VAL A 67 -22.068 3.991 3.134 1.00 0.00 H new ATOM 0 HB VAL A 67 -23.014 2.102 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -20.807 0.978 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -20.622 2.742 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -20.303 1.689 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -22.828 -0.175 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -22.388 0.448 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -24.001 0.784 3.589 1.00 0.00 H new ATOM 1094 N LYS A 68 -24.516 3.253 5.100 1.00 0.00 N ATOM 1095 CA LYS A 68 -25.902 3.467 5.439 1.00 0.00 C ATOM 1096 C LYS A 68 -26.187 4.947 5.494 1.00 0.00 C ATOM 1097 O LYS A 68 -27.155 5.416 4.901 1.00 0.00 O ATOM 1098 CB LYS A 68 -26.269 2.811 6.792 1.00 0.00 C ATOM 1099 CG LYS A 68 -27.774 2.731 7.104 1.00 0.00 C ATOM 1100 CD LYS A 68 -28.554 1.826 6.132 1.00 0.00 C ATOM 1101 CE LYS A 68 -30.021 1.594 6.529 1.00 0.00 C ATOM 1102 NZ LYS A 68 -30.126 0.859 7.812 1.00 0.00 N ATOM 0 H LYS A 68 -23.948 2.940 5.887 1.00 0.00 H new ATOM 0 HA LYS A 68 -26.513 2.999 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -25.858 1.802 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -25.779 3.368 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -27.907 2.360 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -28.198 3.735 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -28.524 2.269 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -28.050 0.862 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -30.532 2.553 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -30.527 1.032 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -31.110 0.556 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -29.507 0.024 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -29.835 1.481 8.593 1.00 0.00 H new ATOM 1116 N GLU A 69 -25.314 5.721 6.186 1.00 0.00 N ATOM 1117 CA GLU A 69 -25.448 7.157 6.320 1.00 0.00 C ATOM 1118 C GLU A 69 -25.033 7.856 5.049 1.00 0.00 C ATOM 1119 O GLU A 69 -25.483 8.970 4.786 1.00 0.00 O ATOM 1120 CB GLU A 69 -24.617 7.761 7.483 1.00 0.00 C ATOM 1121 CG GLU A 69 -25.161 7.444 8.892 1.00 0.00 C ATOM 1122 CD GLU A 69 -24.817 6.022 9.330 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -23.601 5.739 9.498 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -25.761 5.209 9.513 1.00 0.00 O ATOM 0 H GLU A 69 -24.496 5.343 6.664 1.00 0.00 H new ATOM 0 HA GLU A 69 -26.504 7.319 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -23.594 7.392 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.575 8.843 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.748 8.154 9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -26.243 7.575 8.901 1.00 0.00 H new ATOM 1131 N PHE A 70 -24.178 7.205 4.224 1.00 0.00 N ATOM 1132 CA PHE A 70 -23.672 7.716 2.966 1.00 0.00 C ATOM 1133 C PHE A 70 -24.791 7.809 1.954 1.00 0.00 C ATOM 1134 O PHE A 70 -24.942 8.824 1.278 1.00 0.00 O ATOM 1135 CB PHE A 70 -22.554 6.778 2.425 1.00 0.00 C ATOM 1136 CG PHE A 70 -21.957 7.195 1.102 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -21.229 8.390 0.979 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -22.114 6.372 -0.029 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -20.667 8.755 -0.251 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -21.558 6.738 -1.259 1.00 0.00 C ATOM 1141 CZ PHE A 70 -20.832 7.929 -1.368 1.00 0.00 C ATOM 0 H PHE A 70 -23.819 6.275 4.442 1.00 0.00 H new ATOM 0 HA PHE A 70 -23.259 8.711 3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -21.756 6.724 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -22.962 5.773 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -21.102 9.032 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -22.669 5.449 0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -20.106 9.674 -0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -21.689 6.103 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 70 -20.398 8.211 -2.316 1.00 0.00 H new ATOM 1151 N GLU A 71 -25.596 6.730 1.830 1.00 0.00 N ATOM 1152 CA GLU A 71 -26.657 6.646 0.854 1.00 0.00 C ATOM 1153 C GLU A 71 -27.899 7.339 1.352 1.00 0.00 C ATOM 1154 O GLU A 71 -28.774 7.681 0.558 1.00 0.00 O ATOM 1155 CB GLU A 71 -26.998 5.181 0.501 1.00 0.00 C ATOM 1156 CG GLU A 71 -25.826 4.470 -0.204 1.00 0.00 C ATOM 1157 CD GLU A 71 -26.201 3.023 -0.511 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -27.171 2.815 -1.286 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -25.517 2.107 0.019 1.00 0.00 O ATOM 0 H GLU A 71 -25.511 5.900 2.416 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.298 7.144 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -27.256 4.639 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -27.877 5.158 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.575 4.993 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -24.939 4.498 0.429 1.00 0.00 H new