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 43:sc= 0.117 USER MOD Single : A 12 TYR OH : rot 141:sc= 0.267 USER MOD Single : A 13 MET CE :methyl -171:sc= -0.1 (180deg=-0.333) USER MOD Single : A 17 ASN : amide:sc= 0.00246 X(o=0.0025,f=-0.13) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -24:sc= 0.343 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= 0.519 (180deg=0.0121) USER MOD Single : A 27 ASN : amide:sc=-0.00744 X(o=-0.0074,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -171:sc= -0.0723 (180deg=-0.211) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc=-0.000496 (180deg=-0.103) 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+ -165:sc=-0.00134 (180deg=-0.125) 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+ 179:sc= 0 (180deg=-0.00075) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -12.270 -0.804 2.757 1.00 0.00 N ATOM 126 CA PRO A 8 -11.050 -0.243 3.322 1.00 0.00 C ATOM 127 C PRO A 8 -10.002 -1.311 3.527 1.00 0.00 C ATOM 128 O PRO A 8 -9.004 -1.017 4.181 1.00 0.00 O ATOM 129 CB PRO A 8 -11.505 0.285 4.691 1.00 0.00 C ATOM 130 CG PRO A 8 -12.626 -0.671 5.103 1.00 0.00 C ATOM 131 CD PRO A 8 -13.322 -0.937 3.771 1.00 0.00 C ATOM 0 HA PRO A 8 -10.605 0.514 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.689 0.277 5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.862 1.313 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.238 -1.586 5.550 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.299 -0.220 5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.766 -1.932 3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.128 -0.224 3.598 1.00 0.00 H new ATOM 139 N LEU A 9 -10.207 -2.553 3.021 1.00 0.00 N ATOM 140 CA LEU A 9 -9.369 -3.684 3.353 1.00 0.00 C ATOM 141 C LEU A 9 -8.034 -3.572 2.666 1.00 0.00 C ATOM 142 O LEU A 9 -7.922 -3.761 1.456 1.00 0.00 O ATOM 143 CB LEU A 9 -9.965 -5.068 2.982 1.00 0.00 C ATOM 144 CG LEU A 9 -11.151 -5.537 3.862 1.00 0.00 C ATOM 145 CD1 LEU A 9 -12.489 -4.849 3.531 1.00 0.00 C ATOM 146 CD2 LEU A 9 -11.303 -7.071 3.796 1.00 0.00 C ATOM 0 H LEU A 9 -10.963 -2.776 2.374 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.279 -3.642 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.295 -5.036 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.173 -5.814 3.042 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.902 -5.235 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.268 -5.232 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.390 -3.773 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.757 -5.055 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.141 -7.381 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.487 -7.374 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.389 -7.543 4.156 1.00 0.00 H new ATOM 158 N SER A 10 -6.991 -3.266 3.465 1.00 0.00 N ATOM 159 CA SER A 10 -5.628 -3.214 3.022 1.00 0.00 C ATOM 160 C SER A 10 -4.842 -3.421 4.287 1.00 0.00 C ATOM 161 O SER A 10 -4.696 -2.511 5.099 1.00 0.00 O ATOM 162 CB SER A 10 -5.251 -1.887 2.306 1.00 0.00 C ATOM 163 OG SER A 10 -5.746 -0.739 2.989 1.00 0.00 O ATOM 0 H SER A 10 -7.101 -3.047 4.455 1.00 0.00 H new ATOM 0 HA SER A 10 -5.423 -3.966 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.166 -1.818 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.647 -1.901 1.291 1.00 0.00 H new ATOM 0 HG SER A 10 -5.608 -0.847 3.953 1.00 0.00 H new ATOM 169 N ALA A 11 -4.342 -4.662 4.499 1.00 0.00 N ATOM 170 CA ALA A 11 -3.755 -5.091 5.752 1.00 0.00 C ATOM 171 C ALA A 11 -2.367 -4.534 5.928 1.00 0.00 C ATOM 172 O ALA A 11 -1.906 -4.336 7.052 1.00 0.00 O ATOM 173 CB ALA A 11 -3.668 -6.628 5.844 1.00 0.00 C ATOM 0 H ALA A 11 -4.344 -5.389 3.783 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.409 -4.714 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.222 -6.911 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.669 -7.054 5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.051 -7.007 5.029 1.00 0.00 H new ATOM 179 N TYR A 12 -1.683 -4.249 4.796 1.00 0.00 N ATOM 180 CA TYR A 12 -0.343 -3.716 4.744 1.00 0.00 C ATOM 181 C TYR A 12 -0.335 -2.286 5.236 1.00 0.00 C ATOM 182 O TYR A 12 0.587 -1.872 5.936 1.00 0.00 O ATOM 183 CB TYR A 12 0.205 -3.795 3.288 1.00 0.00 C ATOM 184 CG TYR A 12 1.624 -3.297 3.137 1.00 0.00 C ATOM 185 CD1 TYR A 12 2.642 -3.697 4.021 1.00 0.00 C ATOM 186 CD2 TYR A 12 1.934 -2.384 2.116 1.00 0.00 C ATOM 187 CE1 TYR A 12 3.926 -3.151 3.919 1.00 0.00 C ATOM 188 CE2 TYR A 12 3.218 -1.838 2.009 1.00 0.00 C ATOM 189 CZ TYR A 12 4.210 -2.212 2.923 1.00 0.00 C ATOM 190 OH TYR A 12 5.492 -1.636 2.856 1.00 0.00 O ATOM 0 H TYR A 12 -2.083 -4.397 3.870 1.00 0.00 H new ATOM 0 HA TYR A 12 0.302 -4.310 5.392 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.156 -4.829 2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.445 -3.213 2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.431 -4.431 4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.172 -2.100 1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.698 -3.455 4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.443 -1.131 1.224 1.00 0.00 H new ATOM 0 HH TYR A 12 5.757 -1.536 1.918 1.00 0.00 H new ATOM 200 N MET A 13 -1.389 -1.512 4.889 1.00 0.00 N ATOM 201 CA MET A 13 -1.524 -0.109 5.208 1.00 0.00 C ATOM 202 C MET A 13 -1.777 0.096 6.683 1.00 0.00 C ATOM 203 O MET A 13 -1.429 1.147 7.218 1.00 0.00 O ATOM 204 CB MET A 13 -2.677 0.555 4.413 1.00 0.00 C ATOM 205 CG MET A 13 -2.306 1.078 3.003 1.00 0.00 C ATOM 206 SD MET A 13 -1.484 -0.075 1.855 1.00 0.00 S ATOM 207 CE MET A 13 0.179 0.650 2.003 1.00 0.00 C ATOM 0 H MET A 13 -2.183 -1.877 4.363 1.00 0.00 H new ATOM 0 HA MET A 13 -0.581 0.360 4.928 1.00 0.00 H new ATOM 0 HB2 MET A 13 -3.487 -0.168 4.311 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.065 1.388 4.999 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.220 1.430 2.526 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.657 1.945 3.128 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.838 0.204 1.258 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.123 1.726 1.840 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.574 0.455 3.000 1.00 0.00 H new ATOM 217 N LEU A 14 -2.364 -0.911 7.378 1.00 0.00 N ATOM 218 CA LEU A 14 -2.664 -0.844 8.794 1.00 0.00 C ATOM 219 C LEU A 14 -1.393 -0.900 9.607 1.00 0.00 C ATOM 220 O LEU A 14 -1.245 -0.184 10.597 1.00 0.00 O ATOM 221 CB LEU A 14 -3.562 -2.006 9.285 1.00 0.00 C ATOM 222 CG LEU A 14 -4.933 -2.130 8.581 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.684 -3.384 9.074 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.806 -0.867 8.720 1.00 0.00 C ATOM 0 H LEU A 14 -2.638 -1.794 6.947 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.194 0.098 8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.019 -2.942 9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.732 -1.884 10.355 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.728 -2.237 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.647 -3.454 8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.092 -4.273 8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.845 -3.312 10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.753 -1.021 8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.996 -0.670 9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.287 -0.016 8.280 1.00 0.00 H new ATOM 236 N TRP A 15 -0.436 -1.754 9.177 1.00 0.00 N ATOM 237 CA TRP A 15 0.846 -1.933 9.815 1.00 0.00 C ATOM 238 C TRP A 15 1.728 -0.734 9.557 1.00 0.00 C ATOM 239 O TRP A 15 2.554 -0.385 10.398 1.00 0.00 O ATOM 240 CB TRP A 15 1.551 -3.224 9.300 1.00 0.00 C ATOM 241 CG TRP A 15 2.984 -3.443 9.768 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.454 -3.903 10.966 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.136 -3.023 9.014 1.00 0.00 C ATOM 244 NE1 TRP A 15 4.827 -3.811 11.009 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.267 -3.255 9.826 1.00 0.00 C ATOM 246 CE3 TRP A 15 4.261 -2.454 7.749 1.00 0.00 C ATOM 247 CZ2 TRP A 15 6.541 -2.908 9.389 1.00 0.00 C ATOM 248 CZ3 TRP A 15 5.543 -2.094 7.314 1.00 0.00 C ATOM 249 CH2 TRP A 15 6.665 -2.309 8.128 1.00 0.00 C ATOM 0 H TRP A 15 -0.558 -2.343 8.353 1.00 0.00 H new ATOM 0 HA TRP A 15 0.678 -2.035 10.887 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.956 -4.084 9.606 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.546 -3.205 8.210 1.00 0.00 H new ATOM 0 HD1 TRP A 15 2.836 -4.284 11.765 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.419 -4.105 11.786 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.396 -2.295 7.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.409 -3.095 10.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.669 -1.645 6.340 1.00 0.00 H new ATOM 0 HH2 TRP A 15 7.641 -2.008 7.777 1.00 0.00 H new ATOM 260 N LEU A 16 1.568 -0.084 8.379 1.00 0.00 N ATOM 261 CA LEU A 16 2.439 0.961 7.888 1.00 0.00 C ATOM 262 C LEU A 16 2.406 2.164 8.800 1.00 0.00 C ATOM 263 O LEU A 16 3.455 2.683 9.177 1.00 0.00 O ATOM 264 CB LEU A 16 2.055 1.364 6.436 1.00 0.00 C ATOM 265 CG LEU A 16 3.172 1.965 5.536 1.00 0.00 C ATOM 266 CD1 LEU A 16 3.644 3.372 5.953 1.00 0.00 C ATOM 267 CD2 LEU A 16 4.360 1.000 5.340 1.00 0.00 C ATOM 0 H LEU A 16 0.801 -0.294 7.741 1.00 0.00 H new ATOM 0 HA LEU A 16 3.457 0.571 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.660 0.480 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.243 2.089 6.492 1.00 0.00 H new ATOM 0 HG LEU A 16 2.692 2.098 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.423 3.712 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.802 4.064 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.041 3.337 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.110 1.470 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.801 0.765 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.009 0.082 4.869 1.00 0.00 H new ATOM 279 N ASN A 17 1.191 2.607 9.209 1.00 0.00 N ATOM 280 CA ASN A 17 1.014 3.776 10.047 1.00 0.00 C ATOM 281 C ASN A 17 1.415 3.510 11.482 1.00 0.00 C ATOM 282 O ASN A 17 1.769 4.437 12.209 1.00 0.00 O ATOM 283 CB ASN A 17 -0.426 4.376 9.993 1.00 0.00 C ATOM 284 CG ASN A 17 -1.523 3.438 10.533 1.00 0.00 C ATOM 285 OD1 ASN A 17 -1.691 3.299 11.750 1.00 0.00 O ATOM 286 ND2 ASN A 17 -2.292 2.802 9.602 1.00 0.00 N ATOM 0 H ASN A 17 0.316 2.148 8.956 1.00 0.00 H new ATOM 0 HA ASN A 17 1.685 4.525 9.627 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.443 5.303 10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.661 4.635 8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.044 2.180 9.900 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.115 2.948 8.608 1.00 0.00 H new ATOM 293 N SER A 18 1.373 2.227 11.913 1.00 0.00 N ATOM 294 CA SER A 18 1.634 1.823 13.274 1.00 0.00 C ATOM 295 C SER A 18 3.124 1.800 13.512 1.00 0.00 C ATOM 296 O SER A 18 3.612 2.321 14.515 1.00 0.00 O ATOM 297 CB SER A 18 1.020 0.428 13.565 1.00 0.00 C ATOM 298 OG SER A 18 1.062 0.096 14.949 1.00 0.00 O ATOM 0 H SER A 18 1.151 1.445 11.296 1.00 0.00 H new ATOM 0 HA SER A 18 1.169 2.541 13.950 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.014 0.410 13.221 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.559 -0.329 12.996 1.00 0.00 H new ATOM 0 HG SER A 18 0.664 -0.789 15.085 1.00 0.00 H new ATOM 304 N ALA A 19 3.884 1.205 12.562 1.00 0.00 N ATOM 305 CA ALA A 19 5.316 1.034 12.656 1.00 0.00 C ATOM 306 C ALA A 19 6.051 2.274 12.214 1.00 0.00 C ATOM 307 O ALA A 19 7.278 2.296 12.203 1.00 0.00 O ATOM 308 CB ALA A 19 5.796 -0.129 11.765 1.00 0.00 C ATOM 0 H ALA A 19 3.491 0.830 11.699 1.00 0.00 H new ATOM 0 HA ALA A 19 5.531 0.825 13.704 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.877 -0.235 11.856 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.313 -1.053 12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.537 0.078 10.726 1.00 0.00 H new ATOM 314 N ARG A 20 5.312 3.348 11.851 1.00 0.00 N ATOM 315 CA ARG A 20 5.827 4.564 11.268 1.00 0.00 C ATOM 316 C ARG A 20 6.752 5.304 12.199 1.00 0.00 C ATOM 317 O ARG A 20 7.730 5.905 11.759 1.00 0.00 O ATOM 318 CB ARG A 20 4.660 5.498 10.874 1.00 0.00 C ATOM 319 CG ARG A 20 5.038 6.680 9.967 1.00 0.00 C ATOM 320 CD ARG A 20 3.792 7.368 9.390 1.00 0.00 C ATOM 321 NE ARG A 20 4.215 8.472 8.460 1.00 0.00 N ATOM 322 CZ ARG A 20 4.184 9.803 8.784 1.00 0.00 C ATOM 323 NH1 ARG A 20 3.801 10.222 10.026 1.00 0.00 N ATOM 324 NH2 ARG A 20 4.534 10.726 7.842 1.00 0.00 N ATOM 0 H ARG A 20 4.299 3.370 11.970 1.00 0.00 H new ATOM 0 HA ARG A 20 6.399 4.273 10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.897 4.905 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.208 5.891 11.785 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.624 7.403 10.535 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.670 6.327 9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.178 6.643 8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.180 7.772 10.197 1.00 0.00 H new ATOM 0 HE ARG A 20 4.546 8.214 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.531 9.539 10.734 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.785 11.218 10.246 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.814 10.422 6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.515 11.720 8.070 1.00 0.00 H new ATOM 338 N GLU A 21 6.468 5.258 13.520 1.00 0.00 N ATOM 339 CA GLU A 21 7.190 6.009 14.520 1.00 0.00 C ATOM 340 C GLU A 21 8.544 5.418 14.808 1.00 0.00 C ATOM 341 O GLU A 21 9.473 6.153 15.141 1.00 0.00 O ATOM 342 CB GLU A 21 6.396 6.117 15.842 1.00 0.00 C ATOM 343 CG GLU A 21 5.032 6.820 15.677 1.00 0.00 C ATOM 344 CD GLU A 21 5.230 8.230 15.116 1.00 0.00 C ATOM 345 OE1 GLU A 21 5.889 9.060 15.797 1.00 0.00 O ATOM 346 OE2 GLU A 21 4.741 8.497 13.984 1.00 0.00 O ATOM 0 H GLU A 21 5.718 4.685 13.906 1.00 0.00 H new ATOM 0 HA GLU A 21 7.325 7.006 14.101 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.236 5.117 16.244 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.993 6.663 16.573 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.394 6.241 15.009 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.522 6.872 16.639 1.00 0.00 H new ATOM 353 N SER A 22 8.706 4.079 14.664 1.00 0.00 N ATOM 354 CA SER A 22 9.984 3.431 14.869 1.00 0.00 C ATOM 355 C SER A 22 10.860 3.654 13.662 1.00 0.00 C ATOM 356 O SER A 22 12.068 3.811 13.799 1.00 0.00 O ATOM 357 CB SER A 22 9.878 1.917 15.204 1.00 0.00 C ATOM 358 OG SER A 22 9.234 1.161 14.185 1.00 0.00 O ATOM 0 H SER A 22 7.952 3.443 14.405 1.00 0.00 H new ATOM 0 HA SER A 22 10.433 3.890 15.750 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.879 1.517 15.367 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.330 1.796 16.138 1.00 0.00 H new ATOM 0 HG SER A 22 8.655 1.750 13.657 1.00 0.00 H new ATOM 364 N ILE A 23 10.245 3.716 12.454 1.00 0.00 N ATOM 365 CA ILE A 23 10.892 3.893 11.169 1.00 0.00 C ATOM 366 C ILE A 23 11.573 5.246 11.085 1.00 0.00 C ATOM 367 O ILE A 23 12.600 5.377 10.420 1.00 0.00 O ATOM 368 CB ILE A 23 9.886 3.653 10.035 1.00 0.00 C ATOM 369 CG1 ILE A 23 9.598 2.129 9.951 1.00 0.00 C ATOM 370 CG2 ILE A 23 10.349 4.221 8.673 1.00 0.00 C ATOM 371 CD1 ILE A 23 8.389 1.762 9.083 1.00 0.00 C ATOM 0 H ILE A 23 9.232 3.638 12.367 1.00 0.00 H new ATOM 0 HA ILE A 23 11.682 3.151 11.057 1.00 0.00 H new ATOM 0 HB ILE A 23 8.971 4.197 10.268 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.480 1.626 9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.437 1.746 10.959 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.591 4.016 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.495 5.298 8.758 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.288 3.750 8.382 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.259 0.680 9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.494 2.233 9.488 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.553 2.112 8.064 1.00 0.00 H new ATOM 383 N LYS A 24 11.048 6.270 11.803 1.00 0.00 N ATOM 384 CA LYS A 24 11.636 7.594 11.882 1.00 0.00 C ATOM 385 C LYS A 24 12.949 7.582 12.628 1.00 0.00 C ATOM 386 O LYS A 24 13.831 8.392 12.345 1.00 0.00 O ATOM 387 CB LYS A 24 10.725 8.597 12.631 1.00 0.00 C ATOM 388 CG LYS A 24 9.428 8.943 11.884 1.00 0.00 C ATOM 389 CD LYS A 24 8.478 9.796 12.739 1.00 0.00 C ATOM 390 CE LYS A 24 7.169 10.152 12.025 1.00 0.00 C ATOM 391 NZ LYS A 24 6.257 10.882 12.937 1.00 0.00 N ATOM 0 H LYS A 24 10.189 6.178 12.346 1.00 0.00 H new ATOM 0 HA LYS A 24 11.776 7.900 10.845 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.471 8.182 13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.284 9.515 12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.671 9.480 10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.923 8.023 11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.247 9.258 13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.988 10.715 13.027 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.382 10.764 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.684 9.243 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.684 11.556 12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.630 10.205 13.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.815 11.399 13.646 1.00 0.00 H new ATOM 405 N ARG A 25 13.098 6.665 13.611 1.00 0.00 N ATOM 406 CA ARG A 25 14.271 6.568 14.448 1.00 0.00 C ATOM 407 C ARG A 25 15.299 5.688 13.788 1.00 0.00 C ATOM 408 O ARG A 25 16.497 5.933 13.912 1.00 0.00 O ATOM 409 CB ARG A 25 13.942 5.976 15.838 1.00 0.00 C ATOM 410 CG ARG A 25 12.923 6.826 16.618 1.00 0.00 C ATOM 411 CD ARG A 25 12.631 6.268 18.019 1.00 0.00 C ATOM 412 NE ARG A 25 11.643 7.165 18.714 1.00 0.00 N ATOM 413 CZ ARG A 25 11.997 8.272 19.440 1.00 0.00 C ATOM 414 NH1 ARG A 25 13.305 8.641 19.572 1.00 0.00 N ATOM 415 NH2 ARG A 25 11.021 9.017 20.040 1.00 0.00 N ATOM 0 H ARG A 25 12.384 5.970 13.832 1.00 0.00 H new ATOM 0 HA ARG A 25 14.655 7.579 14.582 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.549 4.967 15.715 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.860 5.892 16.419 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.300 7.845 16.709 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.993 6.880 16.052 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.232 5.256 17.944 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.553 6.205 18.598 1.00 0.00 H new ATOM 0 HE ARG A 25 10.652 6.936 18.640 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.038 8.089 19.126 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.549 9.468 20.116 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.042 8.747 19.945 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.271 9.843 20.583 1.00 0.00 H new ATOM 429 N GLU A 26 14.837 4.639 13.067 1.00 0.00 N ATOM 430 CA GLU A 26 15.670 3.667 12.397 1.00 0.00 C ATOM 431 C GLU A 26 16.350 4.297 11.211 1.00 0.00 C ATOM 432 O GLU A 26 17.576 4.284 11.110 1.00 0.00 O ATOM 433 CB GLU A 26 14.847 2.460 11.880 1.00 0.00 C ATOM 434 CG GLU A 26 14.320 1.546 13.001 1.00 0.00 C ATOM 435 CD GLU A 26 13.291 0.578 12.419 1.00 0.00 C ATOM 436 OE1 GLU A 26 13.674 -0.222 11.524 1.00 0.00 O ATOM 437 OE2 GLU A 26 12.107 0.632 12.851 1.00 0.00 O ATOM 0 H GLU A 26 13.841 4.459 12.945 1.00 0.00 H new ATOM 0 HA GLU A 26 16.399 3.320 13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.003 2.830 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 26 15.467 1.871 11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.143 0.992 13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.867 2.144 13.792 1.00 0.00 H new ATOM 444 N ASN A 27 15.549 4.862 10.280 1.00 0.00 N ATOM 445 CA ASN A 27 16.042 5.421 9.045 1.00 0.00 C ATOM 446 C ASN A 27 16.217 6.901 9.289 1.00 0.00 C ATOM 447 O ASN A 27 15.348 7.480 9.937 1.00 0.00 O ATOM 448 CB ASN A 27 15.062 5.247 7.859 1.00 0.00 C ATOM 449 CG ASN A 27 14.899 3.763 7.504 1.00 0.00 C ATOM 450 OD1 ASN A 27 15.621 3.247 6.641 1.00 0.00 O ATOM 451 ND2 ASN A 27 13.928 3.075 8.177 1.00 0.00 N ATOM 0 H ASN A 27 14.537 4.933 10.385 1.00 0.00 H new ATOM 0 HA ASN A 27 16.964 4.906 8.775 1.00 0.00 H new ATOM 0 HB2 ASN A 27 14.092 5.673 8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.431 5.795 6.992 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.771 2.087 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.361 3.549 8.879 1.00 0.00 H new ATOM 458 N PRO A 28 17.287 7.560 8.842 1.00 0.00 N ATOM 459 CA PRO A 28 17.595 8.930 9.229 1.00 0.00 C ATOM 460 C PRO A 28 16.847 9.930 8.369 1.00 0.00 C ATOM 461 O PRO A 28 17.457 10.557 7.503 1.00 0.00 O ATOM 462 CB PRO A 28 19.114 9.025 8.990 1.00 0.00 C ATOM 463 CG PRO A 28 19.383 8.062 7.828 1.00 0.00 C ATOM 464 CD PRO A 28 18.381 6.939 8.092 1.00 0.00 C ATOM 0 HA PRO A 28 17.303 9.158 10.254 1.00 0.00 H new ATOM 0 HB2 PRO A 28 19.413 10.043 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 28 19.674 8.739 9.880 1.00 0.00 H new ATOM 0 HG2 PRO A 28 19.216 8.536 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 28 20.411 7.698 7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.021 6.507 7.158 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.839 6.131 8.662 1.00 0.00 H new ATOM 472 N GLY A 29 15.527 10.115 8.602 1.00 0.00 N ATOM 473 CA GLY A 29 14.733 11.113 7.921 1.00 0.00 C ATOM 474 C GLY A 29 14.443 10.672 6.519 1.00 0.00 C ATOM 475 O GLY A 29 14.866 11.307 5.555 1.00 0.00 O ATOM 0 H GLY A 29 14.998 9.562 9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.799 11.276 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.264 12.065 7.909 1.00 0.00 H new ATOM 479 N ILE A 30 13.708 9.547 6.387 1.00 0.00 N ATOM 480 CA ILE A 30 13.410 8.923 5.122 1.00 0.00 C ATOM 481 C ILE A 30 12.149 9.553 4.577 1.00 0.00 C ATOM 482 O ILE A 30 11.322 10.061 5.336 1.00 0.00 O ATOM 483 CB ILE A 30 13.304 7.404 5.279 1.00 0.00 C ATOM 484 CG1 ILE A 30 13.259 6.658 3.924 1.00 0.00 C ATOM 485 CG2 ILE A 30 12.140 7.028 6.226 1.00 0.00 C ATOM 486 CD1 ILE A 30 13.429 5.140 4.040 1.00 0.00 C ATOM 0 H ILE A 30 13.307 9.054 7.184 1.00 0.00 H new ATOM 0 HA ILE A 30 14.215 9.088 4.406 1.00 0.00 H new ATOM 0 HB ILE A 30 14.224 7.059 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.308 6.870 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.043 7.052 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.085 5.944 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.312 7.471 7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.202 7.404 5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 30 13.386 4.692 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.393 4.916 4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.630 4.731 4.658 1.00 0.00 H new ATOM 498 N LYS A 31 11.985 9.550 3.230 1.00 0.00 N ATOM 499 CA LYS A 31 10.819 10.082 2.566 1.00 0.00 C ATOM 500 C LYS A 31 9.739 9.041 2.640 1.00 0.00 C ATOM 501 O LYS A 31 10.028 7.852 2.739 1.00 0.00 O ATOM 502 CB LYS A 31 11.069 10.421 1.078 1.00 0.00 C ATOM 503 CG LYS A 31 12.239 11.397 0.876 1.00 0.00 C ATOM 504 CD LYS A 31 12.493 11.736 -0.601 1.00 0.00 C ATOM 505 CE LYS A 31 13.765 12.572 -0.801 1.00 0.00 C ATOM 506 NZ LYS A 31 14.024 12.821 -2.238 1.00 0.00 N ATOM 0 H LYS A 31 12.680 9.169 2.588 1.00 0.00 H new ATOM 0 HA LYS A 31 10.543 11.011 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.271 9.501 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.164 10.854 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.036 12.317 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.143 10.964 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.575 10.812 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.637 12.282 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.664 13.523 -0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.617 12.054 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.890 13.388 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.144 11.913 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.221 13.337 -2.651 1.00 0.00 H new ATOM 520 N VAL A 32 8.460 9.481 2.616 1.00 0.00 N ATOM 521 CA VAL A 32 7.313 8.669 2.962 1.00 0.00 C ATOM 522 C VAL A 32 6.999 7.613 1.928 1.00 0.00 C ATOM 523 O VAL A 32 6.367 6.606 2.243 1.00 0.00 O ATOM 524 CB VAL A 32 6.073 9.509 3.240 1.00 0.00 C ATOM 525 CG1 VAL A 32 6.343 10.375 4.489 1.00 0.00 C ATOM 526 CG2 VAL A 32 5.693 10.374 2.018 1.00 0.00 C ATOM 0 H VAL A 32 8.211 10.433 2.347 1.00 0.00 H new ATOM 0 HA VAL A 32 7.597 8.156 3.881 1.00 0.00 H new ATOM 0 HB VAL A 32 5.221 8.856 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.466 10.985 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.555 9.729 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.199 11.024 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.804 10.961 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.518 11.044 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.489 9.728 1.164 1.00 0.00 H new ATOM 536 N THR A 33 7.458 7.804 0.671 1.00 0.00 N ATOM 537 CA THR A 33 7.251 6.872 -0.413 1.00 0.00 C ATOM 538 C THR A 33 8.245 5.736 -0.309 1.00 0.00 C ATOM 539 O THR A 33 7.959 4.612 -0.719 1.00 0.00 O ATOM 540 CB THR A 33 7.357 7.549 -1.773 1.00 0.00 C ATOM 541 OG1 THR A 33 8.522 8.368 -1.860 1.00 0.00 O ATOM 542 CG2 THR A 33 6.101 8.425 -1.974 1.00 0.00 C ATOM 0 H THR A 33 7.989 8.630 0.397 1.00 0.00 H new ATOM 0 HA THR A 33 6.239 6.477 -0.327 1.00 0.00 H new ATOM 0 HB THR A 33 7.430 6.783 -2.545 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.562 8.787 -2.745 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.155 8.921 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.210 7.798 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.051 9.175 -1.185 1.00 0.00 H new ATOM 550 N GLU A 34 9.435 6.011 0.274 1.00 0.00 N ATOM 551 CA GLU A 34 10.511 5.058 0.415 1.00 0.00 C ATOM 552 C GLU A 34 10.320 4.210 1.653 1.00 0.00 C ATOM 553 O GLU A 34 11.023 3.218 1.841 1.00 0.00 O ATOM 554 CB GLU A 34 11.883 5.759 0.509 1.00 0.00 C ATOM 555 CG GLU A 34 12.222 6.604 -0.732 1.00 0.00 C ATOM 556 CD GLU A 34 13.599 7.237 -0.542 1.00 0.00 C ATOM 557 OE1 GLU A 34 14.592 6.468 -0.436 1.00 0.00 O ATOM 558 OE2 GLU A 34 13.677 8.493 -0.496 1.00 0.00 O ATOM 0 H GLU A 34 9.658 6.928 0.661 1.00 0.00 H new ATOM 0 HA GLU A 34 10.491 4.428 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.896 6.400 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.659 5.006 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.215 5.980 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.469 7.378 -0.878 1.00 0.00 H new ATOM 565 N VAL A 35 9.323 4.560 2.508 1.00 0.00 N ATOM 566 CA VAL A 35 8.920 3.785 3.666 1.00 0.00 C ATOM 567 C VAL A 35 8.237 2.526 3.188 1.00 0.00 C ATOM 568 O VAL A 35 8.384 1.468 3.797 1.00 0.00 O ATOM 569 CB VAL A 35 7.988 4.563 4.597 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.437 3.682 5.740 1.00 0.00 C ATOM 571 CG2 VAL A 35 8.773 5.751 5.184 1.00 0.00 C ATOM 0 H VAL A 35 8.777 5.413 2.390 1.00 0.00 H new ATOM 0 HA VAL A 35 9.813 3.547 4.243 1.00 0.00 H new ATOM 0 HB VAL A 35 7.130 4.909 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.781 4.278 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.875 2.848 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.266 3.297 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.126 6.320 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.633 5.379 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.116 6.396 4.375 1.00 0.00 H new ATOM 581 N ALA A 36 7.502 2.609 2.052 1.00 0.00 N ATOM 582 CA ALA A 36 6.797 1.492 1.470 1.00 0.00 C ATOM 583 C ALA A 36 7.757 0.465 0.929 1.00 0.00 C ATOM 584 O ALA A 36 7.506 -0.732 1.034 1.00 0.00 O ATOM 585 CB ALA A 36 5.873 1.923 0.314 1.00 0.00 C ATOM 0 H ALA A 36 7.395 3.475 1.524 1.00 0.00 H new ATOM 0 HA ALA A 36 6.197 1.068 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.365 1.048 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.134 2.633 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.466 2.393 -0.470 1.00 0.00 H new ATOM 591 N LYS A 37 8.896 0.922 0.359 1.00 0.00 N ATOM 592 CA LYS A 37 9.891 0.093 -0.283 1.00 0.00 C ATOM 593 C LYS A 37 10.548 -0.840 0.705 1.00 0.00 C ATOM 594 O LYS A 37 10.591 -2.052 0.497 1.00 0.00 O ATOM 595 CB LYS A 37 10.973 0.964 -0.968 1.00 0.00 C ATOM 596 CG LYS A 37 11.988 0.186 -1.822 1.00 0.00 C ATOM 597 CD LYS A 37 12.977 1.113 -2.547 1.00 0.00 C ATOM 598 CE LYS A 37 13.989 0.355 -3.417 1.00 0.00 C ATOM 599 NZ LYS A 37 14.901 1.291 -4.118 1.00 0.00 N ATOM 0 H LYS A 37 9.137 1.913 0.343 1.00 0.00 H new ATOM 0 HA LYS A 37 9.378 -0.503 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.478 1.701 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.514 1.515 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.541 -0.504 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.454 -0.417 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.420 1.810 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.515 1.708 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.570 -0.325 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.459 -0.256 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.574 0.751 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.346 1.923 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.423 1.856 -3.418 1.00 0.00 H new ATOM 613 N ARG A 38 11.061 -0.283 1.826 1.00 0.00 N ATOM 614 CA ARG A 38 11.784 -1.029 2.832 1.00 0.00 C ATOM 615 C ARG A 38 10.838 -1.713 3.785 1.00 0.00 C ATOM 616 O ARG A 38 11.231 -2.637 4.495 1.00 0.00 O ATOM 617 CB ARG A 38 12.728 -0.112 3.649 1.00 0.00 C ATOM 618 CG ARG A 38 13.864 0.498 2.806 1.00 0.00 C ATOM 619 CD ARG A 38 14.939 -0.529 2.404 1.00 0.00 C ATOM 620 NE ARG A 38 15.890 0.074 1.408 1.00 0.00 N ATOM 621 CZ ARG A 38 16.959 0.860 1.744 1.00 0.00 C ATOM 622 NH1 ARG A 38 17.191 1.228 3.037 1.00 0.00 N ATOM 623 NH2 ARG A 38 17.809 1.283 0.760 1.00 0.00 N ATOM 0 H ARG A 38 10.973 0.710 2.042 1.00 0.00 H new ATOM 0 HA ARG A 38 12.376 -1.776 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.144 0.693 4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.161 -0.686 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 38 13.441 0.943 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.333 1.304 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.487 -0.857 3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.466 -1.413 1.976 1.00 0.00 H new ATOM 0 HE ARG A 38 15.728 -0.115 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.561 0.917 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.994 1.814 3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.642 1.012 -0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.610 1.869 0.995 1.00 0.00 H new ATOM 637 N GLY A 39 9.556 -1.285 3.807 1.00 0.00 N ATOM 638 CA GLY A 39 8.555 -1.794 4.713 1.00 0.00 C ATOM 639 C GLY A 39 7.993 -3.106 4.252 1.00 0.00 C ATOM 640 O GLY A 39 7.351 -3.808 5.030 1.00 0.00 O ATOM 0 H GLY A 39 9.203 -0.564 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.992 -1.915 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.748 -1.067 4.807 1.00 0.00 H new ATOM 644 N GLY A 40 8.232 -3.481 2.971 1.00 0.00 N ATOM 645 CA GLY A 40 7.761 -4.724 2.403 1.00 0.00 C ATOM 646 C GLY A 40 8.595 -5.873 2.892 1.00 0.00 C ATOM 647 O GLY A 40 8.119 -7.002 2.986 1.00 0.00 O ATOM 0 H GLY A 40 8.764 -2.909 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.717 -4.883 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.803 -4.673 1.315 1.00 0.00 H new ATOM 651 N GLU A 41 9.870 -5.588 3.245 1.00 0.00 N ATOM 652 CA GLU A 41 10.805 -6.550 3.778 1.00 0.00 C ATOM 653 C GLU A 41 10.453 -6.848 5.210 1.00 0.00 C ATOM 654 O GLU A 41 10.561 -7.985 5.668 1.00 0.00 O ATOM 655 CB GLU A 41 12.258 -6.013 3.753 1.00 0.00 C ATOM 656 CG GLU A 41 12.751 -5.600 2.352 1.00 0.00 C ATOM 657 CD GLU A 41 12.724 -6.804 1.413 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.417 -7.810 1.720 1.00 0.00 O ATOM 659 OE2 GLU A 41 12.005 -6.735 0.381 1.00 0.00 O ATOM 0 H GLU A 41 10.267 -4.652 3.157 1.00 0.00 H new ATOM 0 HA GLU A 41 10.743 -7.444 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.328 -5.153 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.924 -6.779 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.120 -4.805 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.763 -5.201 2.417 1.00 0.00 H new ATOM 666 N LEU A 42 9.999 -5.802 5.938 1.00 0.00 N ATOM 667 CA LEU A 42 9.664 -5.863 7.340 1.00 0.00 C ATOM 668 C LEU A 42 8.310 -6.493 7.543 1.00 0.00 C ATOM 669 O LEU A 42 8.043 -7.023 8.617 1.00 0.00 O ATOM 670 CB LEU A 42 9.636 -4.457 7.981 1.00 0.00 C ATOM 671 CG LEU A 42 10.995 -3.713 7.967 1.00 0.00 C ATOM 672 CD1 LEU A 42 10.821 -2.241 8.390 1.00 0.00 C ATOM 673 CD2 LEU A 42 12.062 -4.410 8.834 1.00 0.00 C ATOM 0 H LEU A 42 9.859 -4.875 5.535 1.00 0.00 H new ATOM 0 HA LEU A 42 10.437 -6.466 7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.898 -3.848 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.298 -4.550 9.013 1.00 0.00 H new ATOM 0 HG LEU A 42 11.357 -3.740 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.789 -1.740 8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.142 -1.742 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.409 -2.198 9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.994 -3.846 8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.717 -4.457 9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.230 -5.420 8.461 1.00 0.00 H new ATOM 685 N TRP A 43 7.431 -6.470 6.510 1.00 0.00 N ATOM 686 CA TRP A 43 6.143 -7.134 6.523 1.00 0.00 C ATOM 687 C TRP A 43 6.361 -8.614 6.331 1.00 0.00 C ATOM 688 O TRP A 43 5.670 -9.428 6.945 1.00 0.00 O ATOM 689 CB TRP A 43 5.190 -6.602 5.406 1.00 0.00 C ATOM 690 CG TRP A 43 3.891 -7.381 5.178 1.00 0.00 C ATOM 691 CD1 TRP A 43 3.703 -8.447 4.340 1.00 0.00 C ATOM 692 CD2 TRP A 43 2.636 -7.180 5.857 1.00 0.00 C ATOM 693 NE1 TRP A 43 2.414 -8.914 4.435 1.00 0.00 N ATOM 694 CE2 TRP A 43 1.740 -8.156 5.365 1.00 0.00 C ATOM 695 CE3 TRP A 43 2.236 -6.264 6.826 1.00 0.00 C ATOM 696 CZ2 TRP A 43 0.432 -8.232 5.833 1.00 0.00 C ATOM 697 CZ3 TRP A 43 0.919 -6.348 7.304 1.00 0.00 C ATOM 698 CH2 TRP A 43 0.033 -7.319 6.817 1.00 0.00 C ATOM 0 H TRP A 43 7.619 -5.975 5.638 1.00 0.00 H new ATOM 0 HA TRP A 43 5.667 -6.929 7.482 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.930 -5.570 5.644 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.744 -6.583 4.467 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.462 -8.863 3.694 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.022 -9.692 3.905 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.917 -5.513 7.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.254 -8.972 5.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.583 -5.653 8.059 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.973 -7.364 7.207 1.00 0.00 H new ATOM 709 N ARG A 44 7.326 -8.987 5.455 1.00 0.00 N ATOM 710 CA ARG A 44 7.585 -10.353 5.064 1.00 0.00 C ATOM 711 C ARG A 44 8.079 -11.146 6.246 1.00 0.00 C ATOM 712 O ARG A 44 7.484 -12.160 6.610 1.00 0.00 O ATOM 713 CB ARG A 44 8.615 -10.440 3.912 1.00 0.00 C ATOM 714 CG ARG A 44 8.706 -11.835 3.266 1.00 0.00 C ATOM 715 CD ARG A 44 9.699 -11.911 2.095 1.00 0.00 C ATOM 716 NE ARG A 44 11.099 -11.741 2.627 1.00 0.00 N ATOM 717 CZ ARG A 44 12.074 -12.701 2.565 1.00 0.00 C ATOM 718 NH1 ARG A 44 11.847 -13.911 1.976 1.00 0.00 N ATOM 719 NH2 ARG A 44 13.303 -12.441 3.105 1.00 0.00 N ATOM 0 H ARG A 44 7.947 -8.316 5.003 1.00 0.00 H new ATOM 0 HA ARG A 44 6.645 -10.772 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.352 -9.711 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.597 -10.161 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.999 -12.559 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.717 -12.127 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.605 -12.869 1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.478 -11.135 1.363 1.00 0.00 H new ATOM 0 HE ARG A 44 11.337 -10.850 3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.935 -14.117 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.590 -14.609 1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.485 -11.540 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.037 -13.148 3.065 1.00 0.00 H new ATOM 733 N ALA A 45 9.165 -10.661 6.890 1.00 0.00 N ATOM 734 CA ALA A 45 9.678 -11.228 8.110 1.00 0.00 C ATOM 735 C ALA A 45 9.291 -10.278 9.205 1.00 0.00 C ATOM 736 O ALA A 45 10.060 -9.389 9.567 1.00 0.00 O ATOM 737 CB ALA A 45 11.210 -11.396 8.090 1.00 0.00 C ATOM 0 H ALA A 45 9.698 -9.858 6.556 1.00 0.00 H new ATOM 0 HA ALA A 45 9.265 -12.227 8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.541 -11.827 9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.493 -12.057 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.681 -10.423 7.951 1.00 0.00 H new ATOM 743 N MET A 46 8.061 -10.452 9.744 1.00 0.00 N ATOM 744 CA MET A 46 7.522 -9.639 10.805 1.00 0.00 C ATOM 745 C MET A 46 7.335 -10.571 11.977 1.00 0.00 C ATOM 746 O MET A 46 8.143 -11.471 12.199 1.00 0.00 O ATOM 747 CB MET A 46 6.176 -8.974 10.400 1.00 0.00 C ATOM 748 CG MET A 46 5.814 -7.702 11.201 1.00 0.00 C ATOM 749 SD MET A 46 4.030 -7.478 11.488 1.00 0.00 S ATOM 750 CE MET A 46 3.548 -7.339 9.744 1.00 0.00 C ATOM 0 H MET A 46 7.421 -11.182 9.431 1.00 0.00 H new ATOM 0 HA MET A 46 8.194 -8.815 11.045 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.217 -8.720 9.341 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.375 -9.703 10.522 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.323 -7.736 12.164 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.196 -6.831 10.669 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.503 -7.035 9.678 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.174 -6.595 9.252 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.677 -8.303 9.253 1.00 0.00 H new ATOM 760 N LYS A 47 6.243 -10.368 12.748 1.00 0.00 N ATOM 761 CA LYS A 47 5.806 -11.207 13.827 1.00 0.00 C ATOM 762 C LYS A 47 4.631 -11.947 13.250 1.00 0.00 C ATOM 763 O LYS A 47 4.810 -12.909 12.504 1.00 0.00 O ATOM 764 CB LYS A 47 5.389 -10.386 15.072 1.00 0.00 C ATOM 765 CG LYS A 47 6.568 -9.642 15.726 1.00 0.00 C ATOM 766 CD LYS A 47 6.150 -8.708 16.876 1.00 0.00 C ATOM 767 CE LYS A 47 5.586 -9.442 18.103 1.00 0.00 C ATOM 768 NZ LYS A 47 5.213 -8.485 19.173 1.00 0.00 N ATOM 0 H LYS A 47 5.628 -9.566 12.607 1.00 0.00 H new ATOM 0 HA LYS A 47 6.598 -11.868 14.179 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.625 -9.663 14.784 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.936 -11.053 15.805 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.282 -10.373 16.105 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.084 -9.057 14.965 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.013 -8.118 17.183 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.400 -8.008 16.508 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.712 -10.025 17.812 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.327 -10.146 18.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.835 -9.007 19.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.053 -7.946 19.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.489 -7.830 18.816 1.00 0.00 H new ATOM 782 N ASP A 48 3.398 -11.491 13.566 1.00 0.00 N ATOM 783 CA ASP A 48 2.176 -12.073 13.076 1.00 0.00 C ATOM 784 C ASP A 48 1.607 -11.115 12.078 1.00 0.00 C ATOM 785 O ASP A 48 1.633 -9.901 12.277 1.00 0.00 O ATOM 786 CB ASP A 48 1.107 -12.272 14.179 1.00 0.00 C ATOM 787 CG ASP A 48 1.603 -13.309 15.184 1.00 0.00 C ATOM 788 OD1 ASP A 48 1.715 -14.501 14.791 1.00 0.00 O ATOM 789 OD2 ASP A 48 1.877 -12.922 16.351 1.00 0.00 O ATOM 0 H ASP A 48 3.246 -10.692 14.182 1.00 0.00 H new ATOM 0 HA ASP A 48 2.413 -13.054 12.664 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.908 -11.326 14.683 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.167 -12.600 13.735 1.00 0.00 H new ATOM 794 N LYS A 49 1.053 -11.670 10.978 1.00 0.00 N ATOM 795 CA LYS A 49 0.292 -10.936 9.997 1.00 0.00 C ATOM 796 C LYS A 49 -1.163 -11.065 10.358 1.00 0.00 C ATOM 797 O LYS A 49 -1.980 -10.248 9.942 1.00 0.00 O ATOM 798 CB LYS A 49 0.483 -11.493 8.568 1.00 0.00 C ATOM 799 CG LYS A 49 1.887 -11.216 8.004 1.00 0.00 C ATOM 800 CD LYS A 49 2.108 -11.773 6.586 1.00 0.00 C ATOM 801 CE LYS A 49 2.240 -13.303 6.504 1.00 0.00 C ATOM 802 NZ LYS A 49 3.442 -13.781 7.228 1.00 0.00 N ATOM 0 H LYS A 49 1.136 -12.663 10.762 1.00 0.00 H new ATOM 0 HA LYS A 49 0.634 -9.901 10.002 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.305 -12.568 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.263 -11.051 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.058 -10.140 7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.630 -11.649 8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.276 -11.460 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.010 -11.322 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.350 -13.770 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.296 -13.610 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.598 -14.787 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.271 -13.230 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.301 -13.661 8.251 1.00 0.00 H new ATOM 816 N SER A 50 -1.497 -12.104 11.165 1.00 0.00 N ATOM 817 CA SER A 50 -2.828 -12.548 11.511 1.00 0.00 C ATOM 818 C SER A 50 -3.650 -11.499 12.211 1.00 0.00 C ATOM 819 O SER A 50 -4.871 -11.474 12.068 1.00 0.00 O ATOM 820 CB SER A 50 -2.777 -13.778 12.446 1.00 0.00 C ATOM 821 OG SER A 50 -1.957 -14.796 11.884 1.00 0.00 O ATOM 0 H SER A 50 -0.780 -12.677 11.609 1.00 0.00 H new ATOM 0 HA SER A 50 -3.297 -12.788 10.557 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.387 -13.485 13.421 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.784 -14.162 12.608 1.00 0.00 H new ATOM 0 HG SER A 50 -1.933 -15.567 12.488 1.00 0.00 H new ATOM 827 N GLU A 51 -2.987 -10.600 12.977 1.00 0.00 N ATOM 828 CA GLU A 51 -3.611 -9.532 13.725 1.00 0.00 C ATOM 829 C GLU A 51 -4.208 -8.532 12.767 1.00 0.00 C ATOM 830 O GLU A 51 -5.364 -8.139 12.909 1.00 0.00 O ATOM 831 CB GLU A 51 -2.579 -8.849 14.663 1.00 0.00 C ATOM 832 CG GLU A 51 -3.156 -7.911 15.747 1.00 0.00 C ATOM 833 CD GLU A 51 -3.514 -6.533 15.191 1.00 0.00 C ATOM 834 OE1 GLU A 51 -2.609 -5.880 14.608 1.00 0.00 O ATOM 835 OE2 GLU A 51 -4.690 -6.110 15.354 1.00 0.00 O ATOM 0 H GLU A 51 -1.972 -10.616 13.081 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.405 -9.945 14.347 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.998 -9.628 15.158 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.885 -8.276 14.049 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.045 -8.367 16.183 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.429 -7.798 16.551 1.00 0.00 H new ATOM 842 N TRP A 52 -3.425 -8.139 11.737 1.00 0.00 N ATOM 843 CA TRP A 52 -3.786 -7.136 10.763 1.00 0.00 C ATOM 844 C TRP A 52 -4.839 -7.646 9.813 1.00 0.00 C ATOM 845 O TRP A 52 -5.708 -6.892 9.379 1.00 0.00 O ATOM 846 CB TRP A 52 -2.565 -6.690 9.920 1.00 0.00 C ATOM 847 CG TRP A 52 -1.384 -6.229 10.753 1.00 0.00 C ATOM 848 CD1 TRP A 52 -0.164 -6.827 10.915 1.00 0.00 C ATOM 849 CD2 TRP A 52 -1.374 -5.054 11.583 1.00 0.00 C ATOM 850 NE1 TRP A 52 0.612 -6.101 11.788 1.00 0.00 N ATOM 851 CE2 TRP A 52 -0.111 -5.005 12.213 1.00 0.00 C ATOM 852 CE3 TRP A 52 -2.336 -4.078 11.825 1.00 0.00 C ATOM 853 CZ2 TRP A 52 0.210 -3.973 13.090 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -2.011 -3.037 12.705 1.00 0.00 C ATOM 855 CH2 TRP A 52 -0.756 -2.985 13.329 1.00 0.00 C ATOM 0 H TRP A 52 -2.500 -8.536 11.574 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.172 -6.289 11.331 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.250 -7.519 9.287 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.869 -5.880 9.257 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.146 -7.739 10.427 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.563 -6.334 12.074 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.304 -4.122 11.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.175 -3.934 13.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.737 -2.263 12.906 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.530 -2.172 14.003 1.00 0.00 H new ATOM 866 N GLU A 53 -4.785 -8.957 9.482 1.00 0.00 N ATOM 867 CA GLU A 53 -5.699 -9.610 8.572 1.00 0.00 C ATOM 868 C GLU A 53 -7.057 -9.776 9.204 1.00 0.00 C ATOM 869 O GLU A 53 -8.078 -9.637 8.531 1.00 0.00 O ATOM 870 CB GLU A 53 -5.183 -11.005 8.149 1.00 0.00 C ATOM 871 CG GLU A 53 -3.934 -10.927 7.252 1.00 0.00 C ATOM 872 CD GLU A 53 -3.387 -12.333 7.009 1.00 0.00 C ATOM 873 OE1 GLU A 53 -2.899 -12.954 7.989 1.00 0.00 O ATOM 874 OE2 GLU A 53 -3.451 -12.802 5.842 1.00 0.00 O ATOM 0 H GLU A 53 -4.079 -9.589 9.861 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.773 -8.973 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.950 -11.588 9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.974 -11.536 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.185 -10.455 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.173 -10.307 7.725 1.00 0.00 H new ATOM 881 N ALA A 54 -7.097 -10.058 10.527 1.00 0.00 N ATOM 882 CA ALA A 54 -8.319 -10.243 11.279 1.00 0.00 C ATOM 883 C ALA A 54 -8.999 -8.924 11.524 1.00 0.00 C ATOM 884 O ALA A 54 -10.223 -8.853 11.613 1.00 0.00 O ATOM 885 CB ALA A 54 -8.058 -10.893 12.651 1.00 0.00 C ATOM 0 H ALA A 54 -6.256 -10.161 11.094 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.951 -10.898 10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.002 -11.013 13.182 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.595 -11.869 12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.392 -10.257 13.234 1.00 0.00 H new ATOM 891 N LYS A 55 -8.202 -7.835 11.623 1.00 0.00 N ATOM 892 CA LYS A 55 -8.678 -6.497 11.875 1.00 0.00 C ATOM 893 C LYS A 55 -9.263 -5.911 10.614 1.00 0.00 C ATOM 894 O LYS A 55 -10.189 -5.103 10.661 1.00 0.00 O ATOM 895 CB LYS A 55 -7.532 -5.607 12.399 1.00 0.00 C ATOM 896 CG LYS A 55 -7.989 -4.299 13.062 1.00 0.00 C ATOM 897 CD LYS A 55 -6.857 -3.642 13.866 1.00 0.00 C ATOM 898 CE LYS A 55 -7.336 -2.498 14.768 1.00 0.00 C ATOM 899 NZ LYS A 55 -6.236 -2.020 15.637 1.00 0.00 N ATOM 0 H LYS A 55 -7.188 -7.887 11.524 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.456 -6.540 12.637 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.946 -6.178 13.119 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.869 -5.365 11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.341 -3.607 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.833 -4.501 13.721 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.370 -4.400 14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.105 -3.260 13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.705 -1.676 14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.170 -2.838 15.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.581 -1.246 16.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.902 -2.802 16.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.452 -1.676 15.047 1.00 0.00 H new ATOM 913 N ALA A 56 -8.751 -6.354 9.442 1.00 0.00 N ATOM 914 CA ALA A 56 -9.258 -5.982 8.141 1.00 0.00 C ATOM 915 C ALA A 56 -10.549 -6.709 7.862 1.00 0.00 C ATOM 916 O ALA A 56 -11.435 -6.179 7.195 1.00 0.00 O ATOM 917 CB ALA A 56 -8.261 -6.319 7.016 1.00 0.00 C ATOM 0 H ALA A 56 -7.957 -6.993 9.396 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.417 -4.904 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.683 -6.023 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.328 -5.782 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.066 -7.391 7.011 1.00 0.00 H new ATOM 923 N ALA A 57 -10.697 -7.944 8.400 1.00 0.00 N ATOM 924 CA ALA A 57 -11.878 -8.765 8.239 1.00 0.00 C ATOM 925 C ALA A 57 -13.037 -8.201 9.022 1.00 0.00 C ATOM 926 O ALA A 57 -14.187 -8.308 8.599 1.00 0.00 O ATOM 927 CB ALA A 57 -11.645 -10.215 8.702 1.00 0.00 C ATOM 0 H ALA A 57 -9.973 -8.388 8.965 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.106 -8.765 7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.559 -10.793 8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.841 -10.660 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.370 -10.220 9.757 1.00 0.00 H new ATOM 933 N LYS A 58 -12.744 -7.545 10.173 1.00 0.00 N ATOM 934 CA LYS A 58 -13.713 -6.837 10.981 1.00 0.00 C ATOM 935 C LYS A 58 -14.236 -5.636 10.243 1.00 0.00 C ATOM 936 O LYS A 58 -15.420 -5.326 10.331 1.00 0.00 O ATOM 937 CB LYS A 58 -13.115 -6.319 12.309 1.00 0.00 C ATOM 938 CG LYS A 58 -12.961 -7.407 13.380 1.00 0.00 C ATOM 939 CD LYS A 58 -12.212 -6.895 14.622 1.00 0.00 C ATOM 940 CE LYS A 58 -12.526 -7.672 15.909 1.00 0.00 C ATOM 941 NZ LYS A 58 -13.916 -7.416 16.358 1.00 0.00 N ATOM 0 H LYS A 58 -11.799 -7.505 10.556 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.504 -7.556 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.139 -5.876 12.110 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.752 -5.525 12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.947 -7.767 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.424 -8.257 12.958 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.140 -6.945 14.433 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.460 -5.845 14.775 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.386 -8.739 15.737 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.827 -7.381 16.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.027 -7.735 17.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.118 -6.397 16.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.579 -7.936 15.748 1.00 0.00 H new ATOM 955 N ALA A 59 -13.356 -4.951 9.475 1.00 0.00 N ATOM 956 CA ALA A 59 -13.678 -3.739 8.757 1.00 0.00 C ATOM 957 C ALA A 59 -14.606 -3.991 7.592 1.00 0.00 C ATOM 958 O ALA A 59 -15.237 -3.060 7.095 1.00 0.00 O ATOM 959 CB ALA A 59 -12.416 -3.038 8.220 1.00 0.00 C ATOM 0 H ALA A 59 -12.389 -5.248 9.348 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.177 -3.097 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.702 -2.131 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.762 -2.778 9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.889 -3.708 7.540 1.00 0.00 H new ATOM 965 N LYS A 60 -14.733 -5.268 7.152 1.00 0.00 N ATOM 966 CA LYS A 60 -15.651 -5.682 6.114 1.00 0.00 C ATOM 967 C LYS A 60 -17.046 -5.718 6.686 1.00 0.00 C ATOM 968 O LYS A 60 -18.001 -5.287 6.042 1.00 0.00 O ATOM 969 CB LYS A 60 -15.267 -7.067 5.527 1.00 0.00 C ATOM 970 CG LYS A 60 -15.846 -7.379 4.130 1.00 0.00 C ATOM 971 CD LYS A 60 -17.270 -7.963 4.110 1.00 0.00 C ATOM 972 CE LYS A 60 -17.820 -8.137 2.687 1.00 0.00 C ATOM 973 NZ LYS A 60 -19.218 -8.630 2.708 1.00 0.00 N ATOM 0 H LYS A 60 -14.180 -6.037 7.530 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.602 -4.965 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.180 -7.131 5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.598 -7.841 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.842 -6.461 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.179 -8.081 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.269 -8.929 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.934 -7.309 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.776 -7.185 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.193 -8.837 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.563 -8.738 1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.254 -9.550 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -19.819 -7.949 3.214 1.00 0.00 H new ATOM 987 N ASP A 61 -17.187 -6.209 7.942 1.00 0.00 N ATOM 988 CA ASP A 61 -18.452 -6.299 8.639 1.00 0.00 C ATOM 989 C ASP A 61 -18.942 -4.910 8.976 1.00 0.00 C ATOM 990 O ASP A 61 -20.121 -4.611 8.801 1.00 0.00 O ATOM 991 CB ASP A 61 -18.350 -7.144 9.940 1.00 0.00 C ATOM 992 CG ASP A 61 -19.736 -7.435 10.529 1.00 0.00 C ATOM 993 OD1 ASP A 61 -20.536 -8.121 9.839 1.00 0.00 O ATOM 994 OD2 ASP A 61 -20.010 -6.972 11.668 1.00 0.00 O ATOM 0 H ASP A 61 -16.399 -6.554 8.491 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.157 -6.801 7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -17.839 -8.083 9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -17.745 -6.612 10.675 1.00 0.00 H new ATOM 999 N ASP A 62 -18.025 -4.020 9.431 1.00 0.00 N ATOM 1000 CA ASP A 62 -18.328 -2.654 9.807 1.00 0.00 C ATOM 1001 C ASP A 62 -18.776 -1.840 8.619 1.00 0.00 C ATOM 1002 O ASP A 62 -19.603 -0.943 8.766 1.00 0.00 O ATOM 1003 CB ASP A 62 -17.127 -1.901 10.438 1.00 0.00 C ATOM 1004 CG ASP A 62 -16.732 -2.524 11.778 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -17.630 -2.675 12.649 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -15.525 -2.837 11.954 1.00 0.00 O ATOM 0 H ASP A 62 -17.039 -4.256 9.542 1.00 0.00 H new ATOM 0 HA ASP A 62 -19.122 -2.749 10.548 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.277 -1.928 9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.386 -0.852 10.583 1.00 0.00 H new ATOM 1011 N TYR A 63 -18.258 -2.162 7.407 1.00 0.00 N ATOM 1012 CA TYR A 63 -18.597 -1.515 6.156 1.00 0.00 C ATOM 1013 C TYR A 63 -20.049 -1.767 5.817 1.00 0.00 C ATOM 1014 O TYR A 63 -20.738 -0.870 5.336 1.00 0.00 O ATOM 1015 CB TYR A 63 -17.693 -2.030 4.995 1.00 0.00 C ATOM 1016 CG TYR A 63 -17.966 -1.355 3.672 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -17.491 -0.060 3.415 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -18.723 -2.011 2.684 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -17.771 0.570 2.196 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -19.004 -1.383 1.464 1.00 0.00 C ATOM 1021 CZ TYR A 63 -18.526 -0.089 1.217 1.00 0.00 C ATOM 1022 OH TYR A 63 -18.814 0.542 -0.014 1.00 0.00 O ATOM 0 H TYR A 63 -17.571 -2.907 7.292 1.00 0.00 H new ATOM 0 HA TYR A 63 -18.431 -0.444 6.276 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -16.648 -1.876 5.263 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -17.838 -3.104 4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.905 0.455 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -19.091 -3.009 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -17.403 1.568 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.589 -1.896 0.714 1.00 0.00 H new ATOM 0 HH TYR A 63 -19.347 -0.061 -0.574 1.00 0.00 H new ATOM 1032 N ASP A 64 -20.541 -3.000 6.081 1.00 0.00 N ATOM 1033 CA ASP A 64 -21.866 -3.448 5.721 1.00 0.00 C ATOM 1034 C ASP A 64 -22.920 -2.716 6.527 1.00 0.00 C ATOM 1035 O ASP A 64 -23.995 -2.401 6.017 1.00 0.00 O ATOM 1036 CB ASP A 64 -22.005 -4.980 5.940 1.00 0.00 C ATOM 1037 CG ASP A 64 -23.243 -5.540 5.239 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -23.228 -5.602 3.980 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -24.211 -5.918 5.952 1.00 0.00 O ATOM 0 H ASP A 64 -19.996 -3.714 6.564 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.018 -3.227 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.115 -5.484 5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -22.064 -5.191 7.008 1.00 0.00 H new ATOM 1044 N ARG A 65 -22.615 -2.406 7.809 1.00 0.00 N ATOM 1045 CA ARG A 65 -23.537 -1.730 8.694 1.00 0.00 C ATOM 1046 C ARG A 65 -23.474 -0.237 8.480 1.00 0.00 C ATOM 1047 O ARG A 65 -24.439 0.475 8.751 1.00 0.00 O ATOM 1048 CB ARG A 65 -23.260 -2.036 10.187 1.00 0.00 C ATOM 1049 CG ARG A 65 -23.006 -3.533 10.442 1.00 0.00 C ATOM 1050 CD ARG A 65 -23.006 -3.951 11.921 1.00 0.00 C ATOM 1051 NE ARG A 65 -24.431 -3.981 12.411 1.00 0.00 N ATOM 1052 CZ ARG A 65 -25.002 -5.054 13.044 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -24.274 -6.164 13.362 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -26.332 -5.012 13.359 1.00 0.00 N ATOM 0 H ARG A 65 -21.717 -2.626 8.240 1.00 0.00 H new ATOM 0 HA ARG A 65 -24.531 -2.105 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -22.395 -1.462 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -24.109 -1.707 10.786 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -23.768 -4.110 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -22.045 -3.802 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -22.545 -4.932 12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -22.417 -3.250 12.512 1.00 0.00 H new ATOM 0 HE ARG A 65 -25.006 -3.152 12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -23.282 -6.208 13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -24.722 -6.950 13.833 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -26.886 -4.189 13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -26.770 -5.804 13.830 1.00 0.00 H new ATOM 1068 N ALA A 66 -22.322 0.267 7.973 1.00 0.00 N ATOM 1069 CA ALA A 66 -22.058 1.676 7.790 1.00 0.00 C ATOM 1070 C ALA A 66 -22.782 2.225 6.593 1.00 0.00 C ATOM 1071 O ALA A 66 -23.225 3.374 6.614 1.00 0.00 O ATOM 1072 CB ALA A 66 -20.558 1.969 7.591 1.00 0.00 C ATOM 0 H ALA A 66 -21.546 -0.327 7.680 1.00 0.00 H new ATOM 0 HA ALA A 66 -22.411 2.155 8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.411 3.041 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.002 1.633 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.198 1.441 6.708 1.00 0.00 H new ATOM 1078 N VAL A 67 -22.935 1.414 5.514 1.00 0.00 N ATOM 1079 CA VAL A 67 -23.568 1.850 4.284 1.00 0.00 C ATOM 1080 C VAL A 67 -25.066 1.969 4.441 1.00 0.00 C ATOM 1081 O VAL A 67 -25.721 2.615 3.627 1.00 0.00 O ATOM 1082 CB VAL A 67 -23.244 0.996 3.063 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -21.756 1.197 2.706 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -23.604 -0.486 3.297 1.00 0.00 C ATOM 0 H VAL A 67 -22.617 0.445 5.492 1.00 0.00 H new ATOM 0 HA VAL A 67 -23.137 2.833 4.094 1.00 0.00 H new ATOM 0 HB VAL A 67 -23.853 1.313 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -21.506 0.593 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -21.574 2.248 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -21.135 0.892 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -23.360 -1.065 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -23.037 -0.869 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -24.670 -0.573 3.505 1.00 0.00 H new ATOM 1094 N LYS A 68 -25.639 1.386 5.523 1.00 0.00 N ATOM 1095 CA LYS A 68 -27.043 1.500 5.851 1.00 0.00 C ATOM 1096 C LYS A 68 -27.339 2.916 6.275 1.00 0.00 C ATOM 1097 O LYS A 68 -28.298 3.521 5.803 1.00 0.00 O ATOM 1098 CB LYS A 68 -27.448 0.545 7.001 1.00 0.00 C ATOM 1099 CG LYS A 68 -28.938 0.605 7.386 1.00 0.00 C ATOM 1100 CD LYS A 68 -29.293 -0.304 8.573 1.00 0.00 C ATOM 1101 CE LYS A 68 -30.708 -0.072 9.122 1.00 0.00 C ATOM 1102 NZ LYS A 68 -31.743 -0.340 8.096 1.00 0.00 N ATOM 0 H LYS A 68 -25.113 0.820 6.189 1.00 0.00 H new ATOM 0 HA LYS A 68 -27.614 1.228 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -27.201 -0.477 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -26.849 0.781 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -29.202 1.633 7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -29.541 0.319 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -29.198 -1.345 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -28.571 -0.142 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -30.874 -0.717 9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -30.799 0.957 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -32.686 -0.189 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -31.609 0.305 7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -31.661 -1.324 7.769 1.00 0.00 H new ATOM 1116 N GLU A 69 -26.490 3.475 7.169 1.00 0.00 N ATOM 1117 CA GLU A 69 -26.647 4.795 7.733 1.00 0.00 C ATOM 1118 C GLU A 69 -26.313 5.858 6.718 1.00 0.00 C ATOM 1119 O GLU A 69 -26.875 6.950 6.748 1.00 0.00 O ATOM 1120 CB GLU A 69 -25.728 5.000 8.958 1.00 0.00 C ATOM 1121 CG GLU A 69 -26.017 3.998 10.090 1.00 0.00 C ATOM 1122 CD GLU A 69 -25.091 4.286 11.269 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -23.850 4.153 11.091 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -25.612 4.643 12.359 1.00 0.00 O ATOM 0 H GLU A 69 -25.661 2.990 7.514 1.00 0.00 H new ATOM 0 HA GLU A 69 -27.690 4.881 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -24.688 4.901 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -25.853 6.015 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.058 4.076 10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.867 2.978 9.736 1.00 0.00 H new ATOM 1131 N PHE A 70 -25.394 5.533 5.776 1.00 0.00 N ATOM 1132 CA PHE A 70 -24.945 6.395 4.707 1.00 0.00 C ATOM 1133 C PHE A 70 -26.087 6.667 3.754 1.00 0.00 C ATOM 1134 O PHE A 70 -26.370 7.822 3.433 1.00 0.00 O ATOM 1135 CB PHE A 70 -23.750 5.736 3.955 1.00 0.00 C ATOM 1136 CG PHE A 70 -23.258 6.527 2.766 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -22.716 7.815 2.922 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -23.377 5.990 1.473 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -22.326 8.561 1.801 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -22.997 6.734 0.352 1.00 0.00 C ATOM 1141 CZ PHE A 70 -22.477 8.022 0.516 1.00 0.00 C ATOM 0 H PHE A 70 -24.939 4.620 5.759 1.00 0.00 H new ATOM 0 HA PHE A 70 -24.608 7.342 5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -22.925 5.600 4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -24.049 4.743 3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -22.599 8.232 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -23.766 4.991 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -21.910 9.550 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -23.105 6.315 -0.638 1.00 0.00 H new ATOM 0 HZ PHE A 70 -22.191 8.602 -0.349 1.00 0.00 H new ATOM 1151 N GLU A 71 -26.772 5.597 3.289 1.00 0.00 N ATOM 1152 CA GLU A 71 -27.813 5.697 2.293 1.00 0.00 C ATOM 1153 C GLU A 71 -29.148 6.026 2.915 1.00 0.00 C ATOM 1154 O GLU A 71 -30.135 6.196 2.200 1.00 0.00 O ATOM 1155 CB GLU A 71 -27.952 4.395 1.470 1.00 0.00 C ATOM 1156 CG GLU A 71 -26.669 4.064 0.684 1.00 0.00 C ATOM 1157 CD GLU A 71 -26.877 2.803 -0.152 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -27.131 1.726 0.454 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -26.779 2.899 -1.404 1.00 0.00 O ATOM 0 H GLU A 71 -26.602 4.644 3.609 1.00 0.00 H new ATOM 0 HA GLU A 71 -27.516 6.507 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.190 3.568 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.786 4.493 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -26.404 4.900 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -25.838 3.919 1.374 1.00 0.00 H new