USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 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 168:sc= 0 (180deg=-0.184) USER MOD Single : A 17 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 18 SER OG : rot 180: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= 0.129 K(o=0.13,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00395 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -121:sc= -0.127 (180deg=-0.209) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0143) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= -0.0317 (180deg=-0.267) 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+ -179:sc= 0 (180deg=-0.00124) USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 135:sc= 0.86 (180deg=0.0774) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -11.513 -1.929 2.232 1.00 0.00 N ATOM 126 CA PRO A 8 -10.734 -1.011 3.045 1.00 0.00 C ATOM 127 C PRO A 8 -9.959 -1.782 4.088 1.00 0.00 C ATOM 128 O PRO A 8 -10.290 -2.940 4.340 1.00 0.00 O ATOM 129 CB PRO A 8 -11.797 -0.118 3.700 1.00 0.00 C ATOM 130 CG PRO A 8 -13.039 -1.007 3.810 1.00 0.00 C ATOM 131 CD PRO A 8 -12.938 -1.896 2.567 1.00 0.00 C ATOM 0 HA PRO A 8 -10.002 -0.438 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.472 0.231 4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.996 0.768 3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.034 -1.595 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.957 -0.419 3.812 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.318 -2.898 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.526 -1.490 1.744 1.00 0.00 H new ATOM 139 N LEU A 9 -8.930 -1.130 4.687 1.00 0.00 N ATOM 140 CA LEU A 9 -8.034 -1.646 5.703 1.00 0.00 C ATOM 141 C LEU A 9 -7.337 -2.916 5.272 1.00 0.00 C ATOM 142 O LEU A 9 -7.830 -4.019 5.501 1.00 0.00 O ATOM 143 CB LEU A 9 -8.651 -1.858 7.115 1.00 0.00 C ATOM 144 CG LEU A 9 -8.972 -0.568 7.917 1.00 0.00 C ATOM 145 CD1 LEU A 9 -10.170 0.239 7.377 1.00 0.00 C ATOM 146 CD2 LEU A 9 -9.178 -0.887 9.413 1.00 0.00 C ATOM 0 H LEU A 9 -8.706 -0.166 4.442 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.312 -0.836 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.571 -2.433 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.963 -2.466 7.703 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.098 0.071 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.322 1.123 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.969 0.546 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.067 -0.380 7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.402 0.033 9.954 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.008 -1.585 9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.270 -1.334 9.818 1.00 0.00 H new ATOM 158 N SER A 10 -6.139 -2.775 4.658 1.00 0.00 N ATOM 159 CA SER A 10 -5.293 -3.896 4.320 1.00 0.00 C ATOM 160 C SER A 10 -4.420 -4.136 5.527 1.00 0.00 C ATOM 161 O SER A 10 -4.171 -3.222 6.309 1.00 0.00 O ATOM 162 CB SER A 10 -4.432 -3.627 3.054 1.00 0.00 C ATOM 163 OG SER A 10 -3.712 -4.780 2.628 1.00 0.00 O ATOM 0 H SER A 10 -5.750 -1.871 4.391 1.00 0.00 H new ATOM 0 HA SER A 10 -5.898 -4.770 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.078 -3.287 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.729 -2.820 3.261 1.00 0.00 H new ATOM 0 HG SER A 10 -3.188 -4.562 1.829 1.00 0.00 H new ATOM 169 N ALA A 11 -3.944 -5.391 5.706 1.00 0.00 N ATOM 170 CA ALA A 11 -3.195 -5.825 6.867 1.00 0.00 C ATOM 171 C ALA A 11 -1.825 -5.201 6.888 1.00 0.00 C ATOM 172 O ALA A 11 -1.299 -4.858 7.945 1.00 0.00 O ATOM 173 CB ALA A 11 -3.023 -7.356 6.889 1.00 0.00 C ATOM 0 H ALA A 11 -4.084 -6.133 5.020 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.765 -5.509 7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.456 -7.646 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.003 -7.832 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.487 -7.675 5.995 1.00 0.00 H new ATOM 179 N TYR A 12 -1.240 -5.013 5.683 1.00 0.00 N ATOM 180 CA TYR A 12 0.047 -4.397 5.475 1.00 0.00 C ATOM 181 C TYR A 12 -0.037 -2.919 5.785 1.00 0.00 C ATOM 182 O TYR A 12 0.897 -2.346 6.343 1.00 0.00 O ATOM 183 CB TYR A 12 0.507 -4.621 4.003 1.00 0.00 C ATOM 184 CG TYR A 12 1.835 -3.988 3.656 1.00 0.00 C ATOM 185 CD1 TYR A 12 2.945 -4.078 4.517 1.00 0.00 C ATOM 186 CD2 TYR A 12 1.969 -3.272 2.454 1.00 0.00 C ATOM 187 CE1 TYR A 12 4.157 -3.462 4.186 1.00 0.00 C ATOM 188 CE2 TYR A 12 3.176 -2.650 2.123 1.00 0.00 C ATOM 189 CZ TYR A 12 4.275 -2.753 2.986 1.00 0.00 C ATOM 190 OH TYR A 12 5.498 -2.136 2.659 1.00 0.00 O ATOM 0 H TYR A 12 -1.684 -5.304 4.812 1.00 0.00 H new ATOM 0 HA TYR A 12 0.779 -4.852 6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.570 -5.693 3.815 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.256 -4.224 3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.860 -4.628 5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.129 -3.202 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.001 -3.534 4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.261 -2.091 1.203 1.00 0.00 H new ATOM 0 HH TYR A 12 5.416 -1.685 1.793 1.00 0.00 H new ATOM 200 N MET A 13 -1.178 -2.277 5.441 1.00 0.00 N ATOM 201 CA MET A 13 -1.376 -0.850 5.558 1.00 0.00 C ATOM 202 C MET A 13 -1.457 -0.426 7.005 1.00 0.00 C ATOM 203 O MET A 13 -0.995 0.654 7.372 1.00 0.00 O ATOM 204 CB MET A 13 -2.663 -0.404 4.823 1.00 0.00 C ATOM 205 CG MET A 13 -2.745 1.105 4.524 1.00 0.00 C ATOM 206 SD MET A 13 -1.473 1.718 3.369 1.00 0.00 S ATOM 207 CE MET A 13 -2.137 0.984 1.841 1.00 0.00 C ATOM 0 H MET A 13 -1.992 -2.766 5.068 1.00 0.00 H new ATOM 0 HA MET A 13 -0.515 -0.369 5.095 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.736 -0.951 3.883 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.526 -0.688 5.425 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.729 1.328 4.112 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.660 1.653 5.462 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.625 1.413 0.979 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.980 -0.094 1.857 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.204 1.194 1.770 1.00 0.00 H new ATOM 217 N LEU A 14 -2.030 -1.300 7.866 1.00 0.00 N ATOM 218 CA LEU A 14 -2.190 -1.057 9.281 1.00 0.00 C ATOM 219 C LEU A 14 -0.871 -1.162 10.002 1.00 0.00 C ATOM 220 O LEU A 14 -0.636 -0.454 10.980 1.00 0.00 O ATOM 221 CB LEU A 14 -3.178 -2.048 9.940 1.00 0.00 C ATOM 222 CG LEU A 14 -4.636 -1.920 9.442 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.497 -3.086 9.966 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.264 -0.557 9.795 1.00 0.00 C ATOM 0 H LEU A 14 -2.394 -2.206 7.570 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.589 -0.047 9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.832 -3.065 9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.161 -1.896 11.019 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.608 -1.975 8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.519 -2.975 9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.086 -4.031 9.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.496 -3.078 11.056 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.288 -0.521 9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.267 -0.427 10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.682 0.242 9.335 1.00 0.00 H new ATOM 236 N TRP A 15 0.035 -2.038 9.510 1.00 0.00 N ATOM 237 CA TRP A 15 1.354 -2.223 10.067 1.00 0.00 C ATOM 238 C TRP A 15 2.235 -1.042 9.722 1.00 0.00 C ATOM 239 O TRP A 15 3.089 -0.662 10.521 1.00 0.00 O ATOM 240 CB TRP A 15 2.007 -3.539 9.559 1.00 0.00 C ATOM 241 CG TRP A 15 3.412 -3.830 10.075 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.812 -4.412 11.246 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.613 -3.411 9.401 1.00 0.00 C ATOM 244 NE1 TRP A 15 5.184 -4.393 11.346 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.697 -3.767 10.231 1.00 0.00 C ATOM 246 CE3 TRP A 15 4.816 -2.754 8.191 1.00 0.00 C ATOM 247 CZ2 TRP A 15 7.005 -3.456 9.870 1.00 0.00 C ATOM 248 CZ3 TRP A 15 6.129 -2.417 7.842 1.00 0.00 C ATOM 249 CH2 TRP A 15 7.207 -2.755 8.672 1.00 0.00 C ATOM 0 H TRP A 15 -0.152 -2.634 8.704 1.00 0.00 H new ATOM 0 HA TRP A 15 1.252 -2.294 11.150 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.360 -4.372 9.834 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.040 -3.508 8.470 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.145 -4.828 11.987 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.730 -4.778 12.117 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.987 -2.512 7.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.838 -3.745 10.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.314 -1.888 6.919 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.209 -2.471 8.385 1.00 0.00 H new ATOM 260 N LEU A 16 2.040 -0.431 8.526 1.00 0.00 N ATOM 261 CA LEU A 16 2.868 0.645 8.023 1.00 0.00 C ATOM 262 C LEU A 16 2.792 1.878 8.880 1.00 0.00 C ATOM 263 O LEU A 16 3.823 2.499 9.121 1.00 0.00 O ATOM 264 CB LEU A 16 2.518 1.075 6.573 1.00 0.00 C ATOM 265 CG LEU A 16 3.105 0.162 5.472 1.00 0.00 C ATOM 266 CD1 LEU A 16 2.460 0.477 4.108 1.00 0.00 C ATOM 267 CD2 LEU A 16 4.640 0.275 5.381 1.00 0.00 C ATOM 0 H LEU A 16 1.286 -0.691 7.890 1.00 0.00 H new ATOM 0 HA LEU A 16 3.874 0.225 8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.433 1.099 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.877 2.092 6.413 1.00 0.00 H new ATOM 0 HG LEU A 16 2.871 -0.867 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.885 -0.175 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.384 0.312 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.654 1.517 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.007 -0.384 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.916 1.304 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.083 -0.015 6.334 1.00 0.00 H new ATOM 279 N ASN A 17 1.587 2.260 9.369 1.00 0.00 N ATOM 280 CA ASN A 17 1.419 3.472 10.151 1.00 0.00 C ATOM 281 C ASN A 17 1.953 3.309 11.556 1.00 0.00 C ATOM 282 O ASN A 17 2.325 4.291 12.196 1.00 0.00 O ATOM 283 CB ASN A 17 -0.038 4.023 10.177 1.00 0.00 C ATOM 284 CG ASN A 17 -1.070 3.034 10.746 1.00 0.00 C ATOM 285 OD1 ASN A 17 -1.111 2.783 11.955 1.00 0.00 O ATOM 286 ND2 ASN A 17 -1.936 2.485 9.843 1.00 0.00 N ATOM 0 H ASN A 17 0.726 1.733 9.226 1.00 0.00 H new ATOM 0 HA ASN A 17 2.014 4.223 9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.060 4.937 10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.331 4.295 9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.657 1.836 10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.861 2.724 8.854 1.00 0.00 H new ATOM 293 N SER A 18 2.020 2.049 12.049 1.00 0.00 N ATOM 294 CA SER A 18 2.505 1.715 13.366 1.00 0.00 C ATOM 295 C SER A 18 4.014 1.786 13.360 1.00 0.00 C ATOM 296 O SER A 18 4.625 2.379 14.247 1.00 0.00 O ATOM 297 CB SER A 18 2.035 0.296 13.786 1.00 0.00 C ATOM 298 OG SER A 18 2.320 0.013 15.152 1.00 0.00 O ATOM 0 H SER A 18 1.726 1.233 11.512 1.00 0.00 H new ATOM 0 HA SER A 18 2.103 2.425 14.088 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.962 0.206 13.615 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.522 -0.447 13.154 1.00 0.00 H new ATOM 0 HG SER A 18 2.005 -0.889 15.372 1.00 0.00 H new ATOM 304 N ALA A 19 4.643 1.179 12.326 1.00 0.00 N ATOM 305 CA ALA A 19 6.075 1.046 12.210 1.00 0.00 C ATOM 306 C ALA A 19 6.724 2.310 11.708 1.00 0.00 C ATOM 307 O ALA A 19 7.938 2.457 11.823 1.00 0.00 O ATOM 308 CB ALA A 19 6.452 -0.085 11.233 1.00 0.00 C ATOM 0 H ALA A 19 4.138 0.766 11.542 1.00 0.00 H new ATOM 0 HA ALA A 19 6.434 0.823 13.214 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.537 -0.161 11.166 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.043 -1.029 11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.042 0.134 10.247 1.00 0.00 H new ATOM 314 N ARG A 20 5.918 3.251 11.154 1.00 0.00 N ATOM 315 CA ARG A 20 6.322 4.479 10.493 1.00 0.00 C ATOM 316 C ARG A 20 7.293 5.294 11.303 1.00 0.00 C ATOM 317 O ARG A 20 8.319 5.744 10.792 1.00 0.00 O ATOM 318 CB ARG A 20 5.097 5.392 10.233 1.00 0.00 C ATOM 319 CG ARG A 20 5.374 6.652 9.385 1.00 0.00 C ATOM 320 CD ARG A 20 4.263 7.709 9.489 1.00 0.00 C ATOM 321 NE ARG A 20 4.259 8.253 10.898 1.00 0.00 N ATOM 322 CZ ARG A 20 3.209 8.145 11.771 1.00 0.00 C ATOM 323 NH1 ARG A 20 2.014 7.610 11.386 1.00 0.00 N ATOM 324 NH2 ARG A 20 3.368 8.572 13.059 1.00 0.00 N ATOM 0 H ARG A 20 4.903 3.147 11.168 1.00 0.00 H new ATOM 0 HA ARG A 20 6.797 4.159 9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.326 4.803 9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.689 5.705 11.194 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.318 7.095 9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.493 6.361 8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.434 8.512 8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.295 7.268 9.249 1.00 0.00 H new ATOM 0 HE ARG A 20 5.097 8.735 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.888 7.280 10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.247 7.540 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.260 8.965 13.360 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.595 8.498 13.720 1.00 0.00 H new ATOM 338 N GLU A 21 6.961 5.503 12.598 1.00 0.00 N ATOM 339 CA GLU A 21 7.636 6.421 13.477 1.00 0.00 C ATOM 340 C GLU A 21 9.024 5.936 13.810 1.00 0.00 C ATOM 341 O GLU A 21 9.955 6.730 13.914 1.00 0.00 O ATOM 342 CB GLU A 21 6.824 6.640 14.778 1.00 0.00 C ATOM 343 CG GLU A 21 7.193 7.907 15.575 1.00 0.00 C ATOM 344 CD GLU A 21 6.977 9.162 14.727 1.00 0.00 C ATOM 345 OE1 GLU A 21 5.866 9.312 14.149 1.00 0.00 O ATOM 346 OE2 GLU A 21 7.924 9.986 14.640 1.00 0.00 O ATOM 0 H GLU A 21 6.190 5.012 13.051 1.00 0.00 H new ATOM 0 HA GLU A 21 7.720 7.373 12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.765 6.686 14.523 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.960 5.772 15.423 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.586 7.964 16.479 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.234 7.852 15.893 1.00 0.00 H new ATOM 353 N SER A 22 9.193 4.599 13.943 1.00 0.00 N ATOM 354 CA SER A 22 10.450 3.962 14.263 1.00 0.00 C ATOM 355 C SER A 22 11.393 4.015 13.087 1.00 0.00 C ATOM 356 O SER A 22 12.593 4.218 13.255 1.00 0.00 O ATOM 357 CB SER A 22 10.261 2.476 14.642 1.00 0.00 C ATOM 358 OG SER A 22 9.364 2.355 15.738 1.00 0.00 O ATOM 0 H SER A 22 8.428 3.935 13.824 1.00 0.00 H new ATOM 0 HA SER A 22 10.862 4.508 15.112 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.876 1.922 13.786 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.223 2.035 14.901 1.00 0.00 H new ATOM 0 HG SER A 22 9.252 1.409 15.966 1.00 0.00 H new ATOM 364 N ILE A 23 10.845 3.840 11.860 1.00 0.00 N ATOM 365 CA ILE A 23 11.588 3.766 10.620 1.00 0.00 C ATOM 366 C ILE A 23 12.181 5.119 10.293 1.00 0.00 C ATOM 367 O ILE A 23 13.308 5.185 9.804 1.00 0.00 O ATOM 368 CB ILE A 23 10.720 3.209 9.485 1.00 0.00 C ATOM 369 CG1 ILE A 23 10.406 1.716 9.778 1.00 0.00 C ATOM 370 CG2 ILE A 23 11.396 3.363 8.101 1.00 0.00 C ATOM 371 CD1 ILE A 23 9.357 1.094 8.849 1.00 0.00 C ATOM 0 H ILE A 23 9.839 3.746 11.723 1.00 0.00 H new ATOM 0 HA ILE A 23 12.415 3.066 10.740 1.00 0.00 H new ATOM 0 HB ILE A 23 9.795 3.785 9.445 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.329 1.141 9.700 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.061 1.626 10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.743 2.954 7.330 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.578 4.419 7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.344 2.825 8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.200 0.051 9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.418 1.640 8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.706 1.148 7.818 1.00 0.00 H new ATOM 383 N LYS A 24 11.464 6.235 10.584 1.00 0.00 N ATOM 384 CA LYS A 24 11.940 7.568 10.263 1.00 0.00 C ATOM 385 C LYS A 24 12.939 8.100 11.262 1.00 0.00 C ATOM 386 O LYS A 24 13.497 9.176 11.052 1.00 0.00 O ATOM 387 CB LYS A 24 10.810 8.616 10.097 1.00 0.00 C ATOM 388 CG LYS A 24 9.972 8.877 11.360 1.00 0.00 C ATOM 389 CD LYS A 24 9.158 10.181 11.311 1.00 0.00 C ATOM 390 CE LYS A 24 8.048 10.199 10.254 1.00 0.00 C ATOM 391 NZ LYS A 24 7.274 11.460 10.337 1.00 0.00 N ATOM 0 H LYS A 24 10.553 6.217 11.042 1.00 0.00 H new ATOM 0 HA LYS A 24 12.431 7.431 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.254 9.558 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.144 8.286 9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.290 8.040 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.635 8.907 12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.712 10.353 12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.838 11.012 11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.483 10.097 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.384 9.347 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.526 11.456 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.844 11.542 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.908 12.268 10.175 1.00 0.00 H new ATOM 405 N ARG A 25 13.207 7.361 12.365 1.00 0.00 N ATOM 406 CA ARG A 25 14.232 7.734 13.315 1.00 0.00 C ATOM 407 C ARG A 25 15.557 7.245 12.798 1.00 0.00 C ATOM 408 O ARG A 25 16.579 7.910 12.961 1.00 0.00 O ATOM 409 CB ARG A 25 14.014 7.134 14.724 1.00 0.00 C ATOM 410 CG ARG A 25 12.665 7.529 15.352 1.00 0.00 C ATOM 411 CD ARG A 25 12.758 8.142 16.757 1.00 0.00 C ATOM 412 NE ARG A 25 13.447 9.473 16.656 1.00 0.00 N ATOM 413 CZ ARG A 25 13.435 10.400 17.663 1.00 0.00 C ATOM 414 NH1 ARG A 25 12.807 10.143 18.849 1.00 0.00 N ATOM 415 NH2 ARG A 25 14.060 11.599 17.477 1.00 0.00 N ATOM 0 H ARG A 25 12.713 6.501 12.602 1.00 0.00 H new ATOM 0 HA ARG A 25 14.197 8.819 13.415 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.074 6.047 14.662 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.821 7.461 15.379 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.169 8.242 14.693 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.030 6.644 15.399 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.762 8.263 17.183 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.311 7.479 17.423 1.00 0.00 H new ATOM 0 HE ARG A 25 13.948 9.697 15.796 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.338 9.249 18.994 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.808 10.845 19.589 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.530 11.797 16.594 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.057 12.297 18.221 1.00 0.00 H new ATOM 429 N GLU A 26 15.549 6.056 12.153 1.00 0.00 N ATOM 430 CA GLU A 26 16.724 5.411 11.627 1.00 0.00 C ATOM 431 C GLU A 26 17.075 6.009 10.292 1.00 0.00 C ATOM 432 O GLU A 26 18.203 6.446 10.075 1.00 0.00 O ATOM 433 CB GLU A 26 16.499 3.893 11.431 1.00 0.00 C ATOM 434 CG GLU A 26 16.159 3.166 12.744 1.00 0.00 C ATOM 435 CD GLU A 26 15.933 1.684 12.451 1.00 0.00 C ATOM 436 OE1 GLU A 26 14.986 1.372 11.681 1.00 0.00 O ATOM 437 OE2 GLU A 26 16.706 0.847 12.990 1.00 0.00 O ATOM 0 H GLU A 26 14.694 5.524 11.992 1.00 0.00 H new ATOM 0 HA GLU A 26 17.530 5.561 12.345 1.00 0.00 H new ATOM 0 HB2 GLU A 26 15.691 3.740 10.716 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.396 3.450 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.970 3.288 13.462 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.267 3.601 13.194 1.00 0.00 H new ATOM 444 N ASN A 27 16.093 6.032 9.361 1.00 0.00 N ATOM 445 CA ASN A 27 16.285 6.473 8.000 1.00 0.00 C ATOM 446 C ASN A 27 16.065 7.970 7.982 1.00 0.00 C ATOM 447 O ASN A 27 15.211 8.437 8.731 1.00 0.00 O ATOM 448 CB ASN A 27 15.290 5.819 7.007 1.00 0.00 C ATOM 449 CG ASN A 27 15.611 4.328 6.843 1.00 0.00 C ATOM 450 OD1 ASN A 27 16.378 3.957 5.946 1.00 0.00 O ATOM 451 ND2 ASN A 27 15.015 3.468 7.723 1.00 0.00 N ATOM 0 H ASN A 27 15.137 5.736 9.559 1.00 0.00 H new ATOM 0 HA ASN A 27 17.288 6.187 7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 27 14.269 5.941 7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.347 6.320 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.195 2.466 7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.390 3.828 8.444 1.00 0.00 H new ATOM 458 N PRO A 28 16.804 8.759 7.202 1.00 0.00 N ATOM 459 CA PRO A 28 16.900 10.200 7.394 1.00 0.00 C ATOM 460 C PRO A 28 15.721 10.943 6.799 1.00 0.00 C ATOM 461 O PRO A 28 15.815 11.403 5.661 1.00 0.00 O ATOM 462 CB PRO A 28 18.207 10.576 6.671 1.00 0.00 C ATOM 463 CG PRO A 28 18.367 9.515 5.576 1.00 0.00 C ATOM 464 CD PRO A 28 17.802 8.266 6.248 1.00 0.00 C ATOM 0 HA PRO A 28 16.895 10.471 8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.150 11.578 6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 28 19.055 10.568 7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.815 9.776 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.409 9.384 5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.350 7.596 5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.586 7.703 6.754 1.00 0.00 H new ATOM 472 N GLY A 29 14.611 11.098 7.562 1.00 0.00 N ATOM 473 CA GLY A 29 13.481 11.922 7.188 1.00 0.00 C ATOM 474 C GLY A 29 12.752 11.335 6.017 1.00 0.00 C ATOM 475 O GLY A 29 12.506 12.011 5.019 1.00 0.00 O ATOM 0 H GLY A 29 14.494 10.638 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.800 12.018 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.825 12.926 6.941 1.00 0.00 H new ATOM 479 N ILE A 30 12.416 10.033 6.121 1.00 0.00 N ATOM 480 CA ILE A 30 11.917 9.243 5.026 1.00 0.00 C ATOM 481 C ILE A 30 10.418 9.438 4.918 1.00 0.00 C ATOM 482 O ILE A 30 9.722 9.587 5.922 1.00 0.00 O ATOM 483 CB ILE A 30 12.345 7.786 5.193 1.00 0.00 C ATOM 484 CG1 ILE A 30 12.088 6.935 3.930 1.00 0.00 C ATOM 485 CG2 ILE A 30 11.730 7.183 6.473 1.00 0.00 C ATOM 486 CD1 ILE A 30 12.759 5.558 3.970 1.00 0.00 C ATOM 0 H ILE A 30 12.493 9.511 6.994 1.00 0.00 H new ATOM 0 HA ILE A 30 12.346 9.570 4.079 1.00 0.00 H new ATOM 0 HB ILE A 30 13.428 7.771 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.013 6.803 3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.447 7.479 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.046 6.145 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.066 7.751 7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.643 7.226 6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.535 5.017 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.838 5.682 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.382 4.994 4.824 1.00 0.00 H new ATOM 498 N LYS A 31 9.904 9.485 3.663 1.00 0.00 N ATOM 499 CA LYS A 31 8.513 9.730 3.352 1.00 0.00 C ATOM 500 C LYS A 31 7.845 8.392 3.221 1.00 0.00 C ATOM 501 O LYS A 31 8.523 7.385 3.049 1.00 0.00 O ATOM 502 CB LYS A 31 8.360 10.495 2.018 1.00 0.00 C ATOM 503 CG LYS A 31 8.887 11.940 2.101 1.00 0.00 C ATOM 504 CD LYS A 31 9.397 12.503 0.763 1.00 0.00 C ATOM 505 CE LYS A 31 8.370 12.478 -0.376 1.00 0.00 C ATOM 506 NZ LYS A 31 8.947 13.062 -1.609 1.00 0.00 N ATOM 0 H LYS A 31 10.479 9.347 2.832 1.00 0.00 H new ATOM 0 HA LYS A 31 8.065 10.336 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.896 9.961 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.309 10.511 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.091 12.584 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.696 11.979 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.723 13.532 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.274 11.934 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.054 11.452 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.481 13.037 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.238 13.037 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.227 14.047 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.782 12.512 -1.896 1.00 0.00 H new ATOM 520 N VAL A 32 6.492 8.348 3.308 1.00 0.00 N ATOM 521 CA VAL A 32 5.729 7.122 3.475 1.00 0.00 C ATOM 522 C VAL A 32 5.771 6.216 2.265 1.00 0.00 C ATOM 523 O VAL A 32 5.554 5.011 2.379 1.00 0.00 O ATOM 524 CB VAL A 32 4.277 7.366 3.873 1.00 0.00 C ATOM 525 CG1 VAL A 32 4.253 8.158 5.199 1.00 0.00 C ATOM 526 CG2 VAL A 32 3.494 8.087 2.754 1.00 0.00 C ATOM 0 H VAL A 32 5.909 9.183 3.262 1.00 0.00 H new ATOM 0 HA VAL A 32 6.231 6.613 4.298 1.00 0.00 H new ATOM 0 HB VAL A 32 3.776 6.409 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.220 8.340 5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.758 7.583 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.764 9.111 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.464 8.244 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.960 9.050 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.505 7.477 1.851 1.00 0.00 H new ATOM 536 N THR A 33 6.080 6.783 1.075 1.00 0.00 N ATOM 537 CA THR A 33 6.184 6.070 -0.177 1.00 0.00 C ATOM 538 C THR A 33 7.449 5.239 -0.197 1.00 0.00 C ATOM 539 O THR A 33 7.508 4.182 -0.822 1.00 0.00 O ATOM 540 CB THR A 33 6.169 7.034 -1.359 1.00 0.00 C ATOM 541 OG1 THR A 33 7.113 8.092 -1.197 1.00 0.00 O ATOM 542 CG2 THR A 33 4.757 7.648 -1.468 1.00 0.00 C ATOM 0 H THR A 33 6.266 7.781 0.979 1.00 0.00 H new ATOM 0 HA THR A 33 5.321 5.410 -0.267 1.00 0.00 H new ATOM 0 HB THR A 33 6.436 6.477 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.074 8.687 -1.975 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.726 8.341 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.026 6.854 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.521 8.182 -0.548 1.00 0.00 H new ATOM 550 N GLU A 34 8.488 5.724 0.517 1.00 0.00 N ATOM 551 CA GLU A 34 9.800 5.138 0.585 1.00 0.00 C ATOM 552 C GLU A 34 9.882 4.231 1.793 1.00 0.00 C ATOM 553 O GLU A 34 10.751 3.363 1.861 1.00 0.00 O ATOM 554 CB GLU A 34 10.861 6.251 0.697 1.00 0.00 C ATOM 555 CG GLU A 34 10.901 7.173 -0.536 1.00 0.00 C ATOM 556 CD GLU A 34 11.746 8.405 -0.220 1.00 0.00 C ATOM 557 OE1 GLU A 34 12.954 8.234 0.090 1.00 0.00 O ATOM 558 OE2 GLU A 34 11.186 9.534 -0.276 1.00 0.00 O ATOM 0 H GLU A 34 8.408 6.572 1.078 1.00 0.00 H new ATOM 0 HA GLU A 34 9.986 4.557 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.658 6.850 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.842 5.797 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.320 6.640 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.890 7.473 -0.813 1.00 0.00 H new ATOM 565 N VAL A 35 8.939 4.383 2.760 1.00 0.00 N ATOM 566 CA VAL A 35 8.780 3.508 3.908 1.00 0.00 C ATOM 567 C VAL A 35 8.176 2.206 3.431 1.00 0.00 C ATOM 568 O VAL A 35 8.385 1.164 4.043 1.00 0.00 O ATOM 569 CB VAL A 35 7.922 4.138 5.012 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.529 3.142 6.127 1.00 0.00 C ATOM 571 CG2 VAL A 35 8.718 5.299 5.638 1.00 0.00 C ATOM 0 H VAL A 35 8.260 5.144 2.744 1.00 0.00 H new ATOM 0 HA VAL A 35 9.759 3.332 4.353 1.00 0.00 H new ATOM 0 HB VAL A 35 6.994 4.478 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.923 3.654 6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.956 2.321 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.430 2.748 6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.126 5.762 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.648 4.917 6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.944 6.040 4.871 1.00 0.00 H new ATOM 581 N ALA A 36 7.451 2.220 2.287 1.00 0.00 N ATOM 582 CA ALA A 36 6.885 1.031 1.689 1.00 0.00 C ATOM 583 C ALA A 36 7.958 0.116 1.148 1.00 0.00 C ATOM 584 O ALA A 36 7.788 -1.099 1.133 1.00 0.00 O ATOM 585 CB ALA A 36 5.924 1.359 0.534 1.00 0.00 C ATOM 0 H ALA A 36 7.252 3.073 1.765 1.00 0.00 H new ATOM 0 HA ALA A 36 6.336 0.536 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.526 0.434 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.104 1.972 0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.461 1.904 -0.242 1.00 0.00 H new ATOM 591 N LYS A 37 9.109 0.685 0.716 1.00 0.00 N ATOM 592 CA LYS A 37 10.230 -0.059 0.186 1.00 0.00 C ATOM 593 C LYS A 37 10.918 -0.808 1.299 1.00 0.00 C ATOM 594 O LYS A 37 11.126 -2.017 1.208 1.00 0.00 O ATOM 595 CB LYS A 37 11.231 0.879 -0.541 1.00 0.00 C ATOM 596 CG LYS A 37 12.451 0.204 -1.203 1.00 0.00 C ATOM 597 CD LYS A 37 13.707 0.135 -0.311 1.00 0.00 C ATOM 598 CE LYS A 37 14.950 -0.426 -1.021 1.00 0.00 C ATOM 599 NZ LYS A 37 14.771 -1.850 -1.385 1.00 0.00 N ATOM 0 H LYS A 37 9.267 1.693 0.735 1.00 0.00 H new ATOM 0 HA LYS A 37 9.855 -0.774 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.687 1.429 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.595 1.612 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.174 -0.808 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.699 0.746 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.933 1.135 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.488 -0.484 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.152 0.158 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.819 -0.322 -0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.628 -2.197 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.603 -2.410 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.956 -1.945 -2.024 1.00 0.00 H new ATOM 613 N ARG A 38 11.283 -0.089 2.387 1.00 0.00 N ATOM 614 CA ARG A 38 12.077 -0.614 3.475 1.00 0.00 C ATOM 615 C ARG A 38 11.241 -1.504 4.358 1.00 0.00 C ATOM 616 O ARG A 38 11.707 -2.529 4.854 1.00 0.00 O ATOM 617 CB ARG A 38 12.670 0.543 4.320 1.00 0.00 C ATOM 618 CG ARG A 38 13.630 0.135 5.456 1.00 0.00 C ATOM 619 CD ARG A 38 14.830 -0.704 4.986 1.00 0.00 C ATOM 620 NE ARG A 38 15.796 -0.868 6.128 1.00 0.00 N ATOM 621 CZ ARG A 38 16.879 -0.055 6.334 1.00 0.00 C ATOM 622 NH1 ARG A 38 17.166 0.974 5.484 1.00 0.00 N ATOM 623 NH2 ARG A 38 17.685 -0.278 7.414 1.00 0.00 N ATOM 0 H ARG A 38 11.019 0.888 2.516 1.00 0.00 H new ATOM 0 HA ARG A 38 12.891 -1.199 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.200 1.219 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.845 1.107 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 38 13.999 1.035 5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.074 -0.431 6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.492 -1.680 4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.322 -0.217 4.144 1.00 0.00 H new ATOM 0 HE ARG A 38 15.635 -1.629 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.569 1.150 4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.978 1.567 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.477 -1.043 8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.495 0.320 7.578 1.00 0.00 H new ATOM 637 N GLY A 39 9.960 -1.130 4.553 1.00 0.00 N ATOM 638 CA GLY A 39 9.038 -1.810 5.425 1.00 0.00 C ATOM 639 C GLY A 39 8.409 -2.995 4.760 1.00 0.00 C ATOM 640 O GLY A 39 7.723 -3.773 5.416 1.00 0.00 O ATOM 0 H GLY A 39 9.547 -0.322 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.561 -2.134 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.259 -1.116 5.742 1.00 0.00 H new ATOM 644 N GLY A 40 8.647 -3.186 3.440 1.00 0.00 N ATOM 645 CA GLY A 40 8.165 -4.334 2.707 1.00 0.00 C ATOM 646 C GLY A 40 9.021 -5.526 3.013 1.00 0.00 C ATOM 647 O GLY A 40 8.563 -6.665 2.961 1.00 0.00 O ATOM 0 H GLY A 40 9.184 -2.532 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.129 -4.540 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.182 -4.127 1.637 1.00 0.00 H new ATOM 651 N GLU A 41 10.302 -5.267 3.365 1.00 0.00 N ATOM 652 CA GLU A 41 11.290 -6.261 3.702 1.00 0.00 C ATOM 653 C GLU A 41 11.056 -6.725 5.117 1.00 0.00 C ATOM 654 O GLU A 41 11.199 -7.907 5.427 1.00 0.00 O ATOM 655 CB GLU A 41 12.717 -5.676 3.576 1.00 0.00 C ATOM 656 CG GLU A 41 13.002 -5.134 2.160 1.00 0.00 C ATOM 657 CD GLU A 41 14.374 -4.464 2.095 1.00 0.00 C ATOM 658 OE1 GLU A 41 14.576 -3.457 2.825 1.00 0.00 O ATOM 659 OE2 GLU A 41 15.228 -4.933 1.297 1.00 0.00 O ATOM 0 H GLU A 41 10.667 -4.316 3.417 1.00 0.00 H new ATOM 0 HA GLU A 41 11.200 -7.101 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.844 -4.874 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.447 -6.447 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.958 -5.950 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.230 -4.418 1.879 1.00 0.00 H new ATOM 666 N LEU A 42 10.656 -5.781 6.001 1.00 0.00 N ATOM 667 CA LEU A 42 10.399 -6.022 7.403 1.00 0.00 C ATOM 668 C LEU A 42 9.082 -6.726 7.602 1.00 0.00 C ATOM 669 O LEU A 42 8.929 -7.482 8.556 1.00 0.00 O ATOM 670 CB LEU A 42 10.349 -4.703 8.211 1.00 0.00 C ATOM 671 CG LEU A 42 11.688 -3.927 8.264 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.485 -2.509 8.838 1.00 0.00 C ATOM 673 CD2 LEU A 42 12.771 -4.687 9.057 1.00 0.00 C ATOM 0 H LEU A 42 10.505 -4.809 5.731 1.00 0.00 H new ATOM 0 HA LEU A 42 11.220 -6.644 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.586 -4.056 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.035 -4.928 9.230 1.00 0.00 H new ATOM 0 HG LEU A 42 12.043 -3.837 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.441 -1.987 8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.787 -1.958 8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.083 -2.580 9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.692 -4.104 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.430 -4.844 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.958 -5.652 8.585 1.00 0.00 H new ATOM 685 N TRP A 43 8.103 -6.501 6.692 1.00 0.00 N ATOM 686 CA TRP A 43 6.796 -7.126 6.708 1.00 0.00 C ATOM 687 C TRP A 43 6.918 -8.570 6.294 1.00 0.00 C ATOM 688 O TRP A 43 6.209 -9.430 6.817 1.00 0.00 O ATOM 689 CB TRP A 43 5.820 -6.397 5.737 1.00 0.00 C ATOM 690 CG TRP A 43 4.462 -7.039 5.467 1.00 0.00 C ATOM 691 CD1 TRP A 43 4.041 -7.658 4.323 1.00 0.00 C ATOM 692 CD2 TRP A 43 3.359 -7.103 6.390 1.00 0.00 C ATOM 693 NE1 TRP A 43 2.748 -8.104 4.466 1.00 0.00 N ATOM 694 CE2 TRP A 43 2.304 -7.770 5.726 1.00 0.00 C ATOM 695 CE3 TRP A 43 3.209 -6.644 7.692 1.00 0.00 C ATOM 696 CZ2 TRP A 43 1.083 -7.986 6.356 1.00 0.00 C ATOM 697 CZ3 TRP A 43 1.980 -6.870 8.329 1.00 0.00 C ATOM 698 CH2 TRP A 43 0.931 -7.529 7.672 1.00 0.00 C ATOM 0 H TRP A 43 8.224 -5.857 5.911 1.00 0.00 H new ATOM 0 HA TRP A 43 6.399 -7.061 7.721 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.643 -5.396 6.131 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.329 -6.278 4.780 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.640 -7.780 3.432 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.208 -8.600 3.757 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.013 -6.130 8.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.276 -8.491 5.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.839 -6.530 9.344 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.005 -7.686 8.186 1.00 0.00 H new ATOM 709 N ARG A 44 7.827 -8.855 5.334 1.00 0.00 N ATOM 710 CA ARG A 44 7.994 -10.154 4.727 1.00 0.00 C ATOM 711 C ARG A 44 8.505 -11.148 5.738 1.00 0.00 C ATOM 712 O ARG A 44 7.945 -12.234 5.879 1.00 0.00 O ATOM 713 CB ARG A 44 8.947 -10.083 3.512 1.00 0.00 C ATOM 714 CG ARG A 44 8.930 -11.328 2.609 1.00 0.00 C ATOM 715 CD ARG A 44 9.691 -11.093 1.296 1.00 0.00 C ATOM 716 NE ARG A 44 9.503 -12.281 0.390 1.00 0.00 N ATOM 717 CZ ARG A 44 10.457 -13.233 0.155 1.00 0.00 C ATOM 718 NH1 ARG A 44 11.664 -13.204 0.790 1.00 0.00 N ATOM 719 NH2 ARG A 44 10.192 -14.235 -0.736 1.00 0.00 N ATOM 0 H ARG A 44 8.471 -8.156 4.965 1.00 0.00 H new ATOM 0 HA ARG A 44 7.018 -10.487 4.372 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.684 -9.212 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.963 -9.927 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.375 -12.169 3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.898 -11.601 2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.327 -10.189 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.751 -10.941 1.499 1.00 0.00 H new ATOM 0 HE ARG A 44 8.604 -12.383 -0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.872 -12.461 1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.359 -13.925 0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.292 -14.266 -1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.894 -14.952 -0.921 1.00 0.00 H new ATOM 733 N ALA A 45 9.561 -10.767 6.492 1.00 0.00 N ATOM 734 CA ALA A 45 10.064 -11.548 7.594 1.00 0.00 C ATOM 735 C ALA A 45 9.765 -10.768 8.842 1.00 0.00 C ATOM 736 O ALA A 45 10.626 -10.061 9.363 1.00 0.00 O ATOM 737 CB ALA A 45 11.580 -11.805 7.503 1.00 0.00 C ATOM 0 H ALA A 45 10.076 -9.901 6.334 1.00 0.00 H new ATOM 0 HA ALA A 45 9.586 -12.528 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.901 -12.398 8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.803 -12.346 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.111 -10.853 7.501 1.00 0.00 H new ATOM 743 N MET A 46 8.511 -10.889 9.340 1.00 0.00 N ATOM 744 CA MET A 46 8.056 -10.244 10.549 1.00 0.00 C ATOM 745 C MET A 46 7.785 -11.373 11.514 1.00 0.00 C ATOM 746 O MET A 46 8.561 -12.324 11.591 1.00 0.00 O ATOM 747 CB MET A 46 6.800 -9.362 10.294 1.00 0.00 C ATOM 748 CG MET A 46 6.553 -8.242 11.336 1.00 0.00 C ATOM 749 SD MET A 46 5.024 -8.392 12.323 1.00 0.00 S ATOM 750 CE MET A 46 3.846 -8.180 10.958 1.00 0.00 C ATOM 0 H MET A 46 7.791 -11.453 8.888 1.00 0.00 H new ATOM 0 HA MET A 46 8.797 -9.552 10.948 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.892 -8.905 9.309 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.923 -10.008 10.265 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.402 -8.215 12.019 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.533 -7.285 10.814 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.209 -7.319 11.158 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.392 -8.019 10.028 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.230 -9.074 10.867 1.00 0.00 H new ATOM 760 N LYS A 47 6.668 -11.292 12.268 1.00 0.00 N ATOM 761 CA LYS A 47 6.182 -12.325 13.140 1.00 0.00 C ATOM 762 C LYS A 47 4.884 -12.754 12.510 1.00 0.00 C ATOM 763 O LYS A 47 4.859 -13.179 11.356 1.00 0.00 O ATOM 764 CB LYS A 47 5.963 -11.829 14.592 1.00 0.00 C ATOM 765 CG LYS A 47 7.263 -11.406 15.296 1.00 0.00 C ATOM 766 CD LYS A 47 7.014 -10.926 16.736 1.00 0.00 C ATOM 767 CE LYS A 47 8.283 -10.497 17.489 1.00 0.00 C ATOM 768 NZ LYS A 47 9.211 -11.636 17.685 1.00 0.00 N ATOM 0 H LYS A 47 6.073 -10.463 12.269 1.00 0.00 H new ATOM 0 HA LYS A 47 6.900 -13.139 13.236 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.274 -10.984 14.579 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.486 -12.620 15.170 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.957 -12.247 15.310 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.740 -10.608 14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.319 -10.087 16.711 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.528 -11.726 17.294 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.788 -9.707 16.933 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.009 -10.079 18.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.024 -11.327 18.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.716 -12.406 18.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.545 -11.975 16.760 1.00 0.00 H new ATOM 782 N ASP A 48 3.764 -12.637 13.260 1.00 0.00 N ATOM 783 CA ASP A 48 2.458 -13.042 12.813 1.00 0.00 C ATOM 784 C ASP A 48 1.807 -11.868 12.148 1.00 0.00 C ATOM 785 O ASP A 48 2.105 -10.714 12.448 1.00 0.00 O ATOM 786 CB ASP A 48 1.530 -13.497 13.967 1.00 0.00 C ATOM 787 CG ASP A 48 2.115 -14.743 14.628 1.00 0.00 C ATOM 788 OD1 ASP A 48 2.193 -15.794 13.936 1.00 0.00 O ATOM 789 OD2 ASP A 48 2.493 -14.659 15.827 1.00 0.00 O ATOM 0 H ASP A 48 3.768 -12.250 14.204 1.00 0.00 H new ATOM 0 HA ASP A 48 2.596 -13.889 12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.426 -12.698 14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.532 -13.710 13.583 1.00 0.00 H new ATOM 794 N LYS A 49 0.886 -12.175 11.212 1.00 0.00 N ATOM 795 CA LYS A 49 0.108 -11.208 10.477 1.00 0.00 C ATOM 796 C LYS A 49 -1.297 -11.245 11.016 1.00 0.00 C ATOM 797 O LYS A 49 -2.144 -10.456 10.608 1.00 0.00 O ATOM 798 CB LYS A 49 0.083 -11.570 8.976 1.00 0.00 C ATOM 799 CG LYS A 49 1.458 -11.384 8.308 1.00 0.00 C ATOM 800 CD LYS A 49 1.700 -12.301 7.097 1.00 0.00 C ATOM 801 CE LYS A 49 2.009 -13.764 7.467 1.00 0.00 C ATOM 802 NZ LYS A 49 3.259 -13.875 8.260 1.00 0.00 N ATOM 0 H LYS A 49 0.671 -13.138 10.953 1.00 0.00 H new ATOM 0 HA LYS A 49 0.546 -10.216 10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.238 -12.605 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.653 -10.948 8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.557 -10.346 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.237 -11.566 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.819 -12.278 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.530 -11.902 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.178 -14.179 8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.100 -14.358 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.573 -14.866 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.998 -13.284 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.083 -13.553 9.233 1.00 0.00 H new ATOM 816 N SER A 50 -1.552 -12.164 11.983 1.00 0.00 N ATOM 817 CA SER A 50 -2.839 -12.497 12.551 1.00 0.00 C ATOM 818 C SER A 50 -3.450 -11.316 13.266 1.00 0.00 C ATOM 819 O SER A 50 -4.668 -11.146 13.253 1.00 0.00 O ATOM 820 CB SER A 50 -2.691 -13.684 13.543 1.00 0.00 C ATOM 821 OG SER A 50 -3.947 -14.219 13.947 1.00 0.00 O ATOM 0 H SER A 50 -0.801 -12.715 12.398 1.00 0.00 H new ATOM 0 HA SER A 50 -3.500 -12.780 11.732 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.098 -14.471 13.077 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.142 -13.351 14.424 1.00 0.00 H new ATOM 0 HG SER A 50 -3.801 -14.963 14.568 1.00 0.00 H new ATOM 827 N GLU A 51 -2.600 -10.461 13.879 1.00 0.00 N ATOM 828 CA GLU A 51 -2.987 -9.281 14.619 1.00 0.00 C ATOM 829 C GLU A 51 -3.700 -8.293 13.730 1.00 0.00 C ATOM 830 O GLU A 51 -4.739 -7.748 14.094 1.00 0.00 O ATOM 831 CB GLU A 51 -1.738 -8.586 15.221 1.00 0.00 C ATOM 832 CG GLU A 51 -2.048 -7.377 16.125 1.00 0.00 C ATOM 833 CD GLU A 51 -0.741 -6.806 16.672 1.00 0.00 C ATOM 834 OE1 GLU A 51 -0.021 -7.555 17.385 1.00 0.00 O ATOM 835 OE2 GLU A 51 -0.447 -5.615 16.385 1.00 0.00 O ATOM 0 H GLU A 51 -1.589 -10.597 13.859 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.658 -9.602 15.416 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.174 -9.319 15.798 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.093 -8.257 14.406 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.583 -6.614 15.560 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.698 -7.680 16.946 1.00 0.00 H new ATOM 842 N TRP A 52 -3.136 -8.057 12.526 1.00 0.00 N ATOM 843 CA TRP A 52 -3.555 -7.015 11.623 1.00 0.00 C ATOM 844 C TRP A 52 -4.737 -7.452 10.804 1.00 0.00 C ATOM 845 O TRP A 52 -5.571 -6.633 10.427 1.00 0.00 O ATOM 846 CB TRP A 52 -2.408 -6.608 10.672 1.00 0.00 C ATOM 847 CG TRP A 52 -1.135 -6.245 11.411 1.00 0.00 C ATOM 848 CD1 TRP A 52 0.027 -6.957 11.514 1.00 0.00 C ATOM 849 CD2 TRP A 52 -0.969 -5.077 12.233 1.00 0.00 C ATOM 850 NE1 TRP A 52 0.916 -6.305 12.335 1.00 0.00 N ATOM 851 CE2 TRP A 52 0.327 -5.143 12.786 1.00 0.00 C ATOM 852 CE3 TRP A 52 -1.825 -4.020 12.531 1.00 0.00 C ATOM 853 CZ2 TRP A 52 0.794 -4.142 13.634 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -1.354 -3.011 13.382 1.00 0.00 C ATOM 855 CH2 TRP A 52 -0.063 -3.070 13.925 1.00 0.00 C ATOM 0 H TRP A 52 -2.359 -8.611 12.166 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.837 -6.157 12.233 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.203 -7.429 9.985 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.727 -5.759 10.068 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.219 -7.898 11.020 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.855 -6.627 12.571 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.822 -3.979 12.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.787 -4.190 14.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.995 -2.176 13.623 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.277 -2.279 14.577 1.00 0.00 H new ATOM 866 N GLU A 53 -4.844 -8.774 10.530 1.00 0.00 N ATOM 867 CA GLU A 53 -5.944 -9.356 9.793 1.00 0.00 C ATOM 868 C GLU A 53 -7.176 -9.415 10.660 1.00 0.00 C ATOM 869 O GLU A 53 -8.290 -9.239 10.171 1.00 0.00 O ATOM 870 CB GLU A 53 -5.619 -10.783 9.297 1.00 0.00 C ATOM 871 CG GLU A 53 -4.517 -10.799 8.222 1.00 0.00 C ATOM 872 CD GLU A 53 -4.191 -12.243 7.846 1.00 0.00 C ATOM 873 OE1 GLU A 53 -5.106 -12.937 7.328 1.00 0.00 O ATOM 874 OE2 GLU A 53 -3.028 -12.669 8.074 1.00 0.00 O ATOM 0 H GLU A 53 -4.149 -9.459 10.828 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.119 -8.720 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.305 -11.395 10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.523 -11.238 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.846 -10.248 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.623 -10.299 8.595 1.00 0.00 H new ATOM 881 N ALA A 54 -6.990 -9.635 11.984 1.00 0.00 N ATOM 882 CA ALA A 54 -8.057 -9.679 12.958 1.00 0.00 C ATOM 883 C ALA A 54 -8.567 -8.292 13.255 1.00 0.00 C ATOM 884 O ALA A 54 -9.723 -8.116 13.629 1.00 0.00 O ATOM 885 CB ALA A 54 -7.601 -10.297 14.293 1.00 0.00 C ATOM 0 H ALA A 54 -6.068 -9.787 12.392 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.840 -10.297 12.519 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.437 -10.309 14.993 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.256 -11.317 14.123 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.787 -9.704 14.709 1.00 0.00 H new ATOM 891 N LYS A 55 -7.704 -7.266 13.070 1.00 0.00 N ATOM 892 CA LYS A 55 -8.044 -5.878 13.278 1.00 0.00 C ATOM 893 C LYS A 55 -8.888 -5.399 12.122 1.00 0.00 C ATOM 894 O LYS A 55 -9.818 -4.613 12.296 1.00 0.00 O ATOM 895 CB LYS A 55 -6.772 -4.998 13.383 1.00 0.00 C ATOM 896 CG LYS A 55 -6.996 -3.589 13.964 1.00 0.00 C ATOM 897 CD LYS A 55 -7.368 -3.599 15.457 1.00 0.00 C ATOM 898 CE LYS A 55 -7.456 -2.192 16.063 1.00 0.00 C ATOM 899 NZ LYS A 55 -7.764 -2.256 17.512 1.00 0.00 N ATOM 0 H LYS A 55 -6.740 -7.404 12.767 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.596 -5.793 14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.041 -5.517 14.002 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.335 -4.899 12.389 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.090 -2.998 13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.788 -3.094 13.403 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.326 -4.104 15.584 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.627 -4.179 16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.513 -1.667 15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.227 -1.618 15.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.818 -1.292 17.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.675 -2.737 17.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.015 -2.784 18.003 1.00 0.00 H new ATOM 913 N ALA A 56 -8.587 -5.915 10.906 1.00 0.00 N ATOM 914 CA ALA A 56 -9.278 -5.592 9.680 1.00 0.00 C ATOM 915 C ALA A 56 -10.540 -6.410 9.520 1.00 0.00 C ATOM 916 O ALA A 56 -11.226 -6.302 8.505 1.00 0.00 O ATOM 917 CB ALA A 56 -8.388 -5.854 8.450 1.00 0.00 C ATOM 0 H ALA A 56 -7.830 -6.586 10.770 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.529 -4.533 9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.937 -5.601 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.490 -5.240 8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.107 -6.907 8.422 1.00 0.00 H new ATOM 923 N ALA A 57 -10.905 -7.229 10.537 1.00 0.00 N ATOM 924 CA ALA A 57 -12.134 -7.992 10.550 1.00 0.00 C ATOM 925 C ALA A 57 -13.290 -7.092 10.904 1.00 0.00 C ATOM 926 O ALA A 57 -14.429 -7.349 10.521 1.00 0.00 O ATOM 927 CB ALA A 57 -12.100 -9.146 11.568 1.00 0.00 C ATOM 0 H ALA A 57 -10.334 -7.365 11.371 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.252 -8.414 9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.046 -9.686 11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.285 -9.826 11.320 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.944 -8.744 12.569 1.00 0.00 H new ATOM 933 N LYS A 58 -13.000 -5.979 11.622 1.00 0.00 N ATOM 934 CA LYS A 58 -13.963 -4.957 11.956 1.00 0.00 C ATOM 935 C LYS A 58 -14.219 -4.066 10.770 1.00 0.00 C ATOM 936 O LYS A 58 -15.243 -3.390 10.726 1.00 0.00 O ATOM 937 CB LYS A 58 -13.502 -4.086 13.150 1.00 0.00 C ATOM 938 CG LYS A 58 -13.980 -4.636 14.505 1.00 0.00 C ATOM 939 CD LYS A 58 -15.461 -4.309 14.778 1.00 0.00 C ATOM 940 CE LYS A 58 -16.013 -4.898 16.084 1.00 0.00 C ATOM 941 NZ LYS A 58 -16.118 -6.373 16.007 1.00 0.00 N ATOM 0 H LYS A 58 -12.066 -5.784 11.982 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.880 -5.472 12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.414 -4.025 13.151 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.878 -3.071 13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.839 -5.717 14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.365 -4.218 15.302 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.582 -3.226 14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.061 -4.678 13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.363 -4.620 16.914 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.995 -4.472 16.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.510 -6.740 16.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.744 -6.636 15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.174 -6.781 15.850 1.00 0.00 H new ATOM 955 N ALA A 59 -13.317 -4.069 9.760 1.00 0.00 N ATOM 956 CA ALA A 59 -13.505 -3.331 8.531 1.00 0.00 C ATOM 957 C ALA A 59 -14.452 -4.072 7.629 1.00 0.00 C ATOM 958 O ALA A 59 -15.130 -3.463 6.806 1.00 0.00 O ATOM 959 CB ALA A 59 -12.194 -3.129 7.754 1.00 0.00 C ATOM 0 H ALA A 59 -12.442 -4.592 9.795 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.900 -2.356 8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.395 -2.569 6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.487 -2.575 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.769 -4.100 7.499 1.00 0.00 H new ATOM 965 N LYS A 60 -14.524 -5.416 7.787 1.00 0.00 N ATOM 966 CA LYS A 60 -15.395 -6.295 7.039 1.00 0.00 C ATOM 967 C LYS A 60 -16.798 -6.135 7.575 1.00 0.00 C ATOM 968 O LYS A 60 -17.765 -6.077 6.817 1.00 0.00 O ATOM 969 CB LYS A 60 -14.919 -7.767 7.165 1.00 0.00 C ATOM 970 CG LYS A 60 -15.318 -8.722 6.021 1.00 0.00 C ATOM 971 CD LYS A 60 -16.792 -9.165 5.999 1.00 0.00 C ATOM 972 CE LYS A 60 -17.111 -10.219 4.926 1.00 0.00 C ATOM 973 NZ LYS A 60 -16.406 -11.497 5.186 1.00 0.00 N ATOM 0 H LYS A 60 -13.950 -5.914 8.467 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.373 -6.035 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.832 -7.768 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.309 -8.172 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.090 -8.236 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.692 -9.612 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.055 -9.566 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.421 -8.291 5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.186 -10.396 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.825 -9.838 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.772 -12.231 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.387 -11.371 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.564 -11.786 6.172 1.00 0.00 H new ATOM 987 N ASP A 61 -16.921 -6.012 8.918 1.00 0.00 N ATOM 988 CA ASP A 61 -18.165 -5.818 9.631 1.00 0.00 C ATOM 989 C ASP A 61 -18.756 -4.468 9.281 1.00 0.00 C ATOM 990 O ASP A 61 -19.958 -4.346 9.045 1.00 0.00 O ATOM 991 CB ASP A 61 -17.924 -5.913 11.165 1.00 0.00 C ATOM 992 CG ASP A 61 -19.226 -5.903 11.970 1.00 0.00 C ATOM 993 OD1 ASP A 61 -20.078 -6.799 11.729 1.00 0.00 O ATOM 994 OD2 ASP A 61 -19.375 -5.006 12.842 1.00 0.00 O ATOM 0 H ASP A 61 -16.114 -6.049 9.540 1.00 0.00 H new ATOM 0 HA ASP A 61 -18.866 -6.599 9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -17.372 -6.827 11.386 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -17.299 -5.078 11.483 1.00 0.00 H new ATOM 999 N ASP A 62 -17.891 -3.430 9.212 1.00 0.00 N ATOM 1000 CA ASP A 62 -18.273 -2.065 8.937 1.00 0.00 C ATOM 1001 C ASP A 62 -18.625 -1.880 7.477 1.00 0.00 C ATOM 1002 O ASP A 62 -19.377 -0.969 7.147 1.00 0.00 O ATOM 1003 CB ASP A 62 -17.138 -1.075 9.324 1.00 0.00 C ATOM 1004 CG ASP A 62 -17.616 0.381 9.323 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -18.557 0.693 10.101 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -17.046 1.193 8.548 1.00 0.00 O ATOM 0 H ASP A 62 -16.887 -3.543 9.353 1.00 0.00 H new ATOM 0 HA ASP A 62 -19.153 -1.850 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.757 -1.330 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.309 -1.184 8.625 1.00 0.00 H new ATOM 1011 N TYR A 63 -18.110 -2.756 6.573 1.00 0.00 N ATOM 1012 CA TYR A 63 -18.301 -2.675 5.135 1.00 0.00 C ATOM 1013 C TYR A 63 -19.766 -2.775 4.782 1.00 0.00 C ATOM 1014 O TYR A 63 -20.243 -2.033 3.927 1.00 0.00 O ATOM 1015 CB TYR A 63 -17.518 -3.788 4.376 1.00 0.00 C ATOM 1016 CG TYR A 63 -17.504 -3.588 2.876 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -16.594 -2.700 2.277 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -18.399 -4.297 2.055 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -16.568 -2.531 0.886 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -18.384 -4.124 0.666 1.00 0.00 C ATOM 1021 CZ TYR A 63 -17.467 -3.243 0.077 1.00 0.00 C ATOM 1022 OH TYR A 63 -17.465 -3.083 -1.328 1.00 0.00 O ATOM 0 H TYR A 63 -17.538 -3.553 6.852 1.00 0.00 H new ATOM 0 HA TYR A 63 -17.912 -1.706 4.823 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -16.492 -3.816 4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -17.964 -4.756 4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -15.907 -2.142 2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -19.105 -4.982 2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -15.857 -1.853 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.080 -4.670 0.047 1.00 0.00 H new ATOM 0 HH TYR A 63 -18.155 -3.656 -1.723 1.00 0.00 H new ATOM 1032 N ASP A 64 -20.508 -3.677 5.470 1.00 0.00 N ATOM 1033 CA ASP A 64 -21.926 -3.917 5.290 1.00 0.00 C ATOM 1034 C ASP A 64 -22.718 -2.655 5.543 1.00 0.00 C ATOM 1035 O ASP A 64 -23.598 -2.294 4.766 1.00 0.00 O ATOM 1036 CB ASP A 64 -22.421 -5.029 6.262 1.00 0.00 C ATOM 1037 CG ASP A 64 -23.920 -5.325 6.113 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -24.330 -5.800 5.022 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -24.673 -5.052 7.086 1.00 0.00 O ATOM 0 H ASP A 64 -20.100 -4.272 6.191 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.080 -4.240 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.855 -5.943 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -22.215 -4.726 7.289 1.00 0.00 H new ATOM 1044 N ARG A 65 -22.407 -1.960 6.656 1.00 0.00 N ATOM 1045 CA ARG A 65 -23.169 -0.833 7.128 1.00 0.00 C ATOM 1046 C ARG A 65 -22.821 0.409 6.349 1.00 0.00 C ATOM 1047 O ARG A 65 -23.663 1.283 6.152 1.00 0.00 O ATOM 1048 CB ARG A 65 -22.930 -0.593 8.636 1.00 0.00 C ATOM 1049 CG ARG A 65 -23.006 -1.905 9.442 1.00 0.00 C ATOM 1050 CD ARG A 65 -23.175 -1.720 10.957 1.00 0.00 C ATOM 1051 NE ARG A 65 -24.570 -1.212 11.216 1.00 0.00 N ATOM 1052 CZ ARG A 65 -25.440 -1.768 12.118 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -25.059 -2.790 12.937 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -26.718 -1.289 12.192 1.00 0.00 N ATOM 0 H ARG A 65 -21.605 -2.185 7.245 1.00 0.00 H new ATOM 0 HA ARG A 65 -24.224 -1.060 6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -21.952 -0.133 8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -23.672 0.110 9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -23.840 -2.498 9.067 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -22.099 -2.481 9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -23.012 -2.665 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -22.437 -1.015 11.339 1.00 0.00 H new ATOM 0 HE ARG A 65 -24.888 -0.401 10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -24.109 -3.157 12.886 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -25.724 -3.187 13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -27.013 -0.528 11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -27.376 -1.693 12.858 1.00 0.00 H new ATOM 1068 N ALA A 66 -21.557 0.491 5.872 1.00 0.00 N ATOM 1069 CA ALA A 66 -21.003 1.633 5.189 1.00 0.00 C ATOM 1070 C ALA A 66 -21.565 1.782 3.803 1.00 0.00 C ATOM 1071 O ALA A 66 -21.847 2.899 3.376 1.00 0.00 O ATOM 1072 CB ALA A 66 -19.470 1.541 5.061 1.00 0.00 C ATOM 0 H ALA A 66 -20.890 -0.275 5.967 1.00 0.00 H new ATOM 0 HA ALA A 66 -21.274 2.496 5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -19.095 2.422 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -19.024 1.490 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.205 0.646 4.498 1.00 0.00 H new ATOM 1078 N VAL A 67 -21.753 0.657 3.063 1.00 0.00 N ATOM 1079 CA VAL A 67 -22.204 0.690 1.685 1.00 0.00 C ATOM 1080 C VAL A 67 -23.662 1.068 1.579 1.00 0.00 C ATOM 1081 O VAL A 67 -24.111 1.516 0.528 1.00 0.00 O ATOM 1082 CB VAL A 67 -21.956 -0.593 0.898 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -20.431 -0.783 0.749 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -22.653 -1.808 1.547 1.00 0.00 C ATOM 0 H VAL A 67 -21.591 -0.284 3.422 1.00 0.00 H new ATOM 0 HA VAL A 67 -21.585 1.462 1.227 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.398 -0.511 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -20.231 -1.696 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -20.008 0.069 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -19.975 -0.856 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -22.452 -2.701 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -22.272 -1.949 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -23.728 -1.633 1.585 1.00 0.00 H new ATOM 1094 N LYS A 68 -24.434 0.930 2.681 1.00 0.00 N ATOM 1095 CA LYS A 68 -25.838 1.260 2.722 1.00 0.00 C ATOM 1096 C LYS A 68 -26.018 2.756 2.741 1.00 0.00 C ATOM 1097 O LYS A 68 -26.961 3.275 2.149 1.00 0.00 O ATOM 1098 CB LYS A 68 -26.527 0.633 3.955 1.00 0.00 C ATOM 1099 CG LYS A 68 -26.588 -0.899 3.841 1.00 0.00 C ATOM 1100 CD LYS A 68 -26.972 -1.620 5.142 1.00 0.00 C ATOM 1101 CE LYS A 68 -27.033 -3.144 4.947 1.00 0.00 C ATOM 1102 NZ LYS A 68 -27.210 -3.863 6.229 1.00 0.00 N ATOM 0 H LYS A 68 -24.074 0.580 3.569 1.00 0.00 H new ATOM 0 HA LYS A 68 -26.305 0.850 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -25.984 0.911 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -27.536 1.033 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -27.308 -1.165 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.616 -1.265 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -26.246 -1.381 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -27.940 -1.258 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -27.857 -3.391 4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -26.117 -3.484 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -27.936 -4.599 6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -26.310 -4.304 6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -27.509 -3.192 6.965 1.00 0.00 H new ATOM 1116 N GLU A 69 -25.085 3.483 3.399 1.00 0.00 N ATOM 1117 CA GLU A 69 -25.092 4.925 3.470 1.00 0.00 C ATOM 1118 C GLU A 69 -24.478 5.511 2.224 1.00 0.00 C ATOM 1119 O GLU A 69 -24.859 6.595 1.788 1.00 0.00 O ATOM 1120 CB GLU A 69 -24.292 5.439 4.688 1.00 0.00 C ATOM 1121 CG GLU A 69 -24.862 4.931 6.024 1.00 0.00 C ATOM 1122 CD GLU A 69 -24.058 5.521 7.179 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -22.835 5.225 7.258 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -24.652 6.273 7.996 1.00 0.00 O ATOM 0 H GLU A 69 -24.303 3.058 3.896 1.00 0.00 H new ATOM 0 HA GLU A 69 -26.132 5.235 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -23.253 5.122 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.294 6.529 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -25.911 5.214 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -24.822 3.842 6.058 1.00 0.00 H new ATOM 1131 N PHE A 70 -23.505 4.786 1.624 1.00 0.00 N ATOM 1132 CA PHE A 70 -22.733 5.202 0.475 1.00 0.00 C ATOM 1133 C PHE A 70 -23.608 5.231 -0.756 1.00 0.00 C ATOM 1134 O PHE A 70 -23.659 6.237 -1.462 1.00 0.00 O ATOM 1135 CB PHE A 70 -21.537 4.232 0.255 1.00 0.00 C ATOM 1136 CG PHE A 70 -20.605 4.651 -0.854 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -19.576 5.581 -0.628 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -20.751 4.095 -2.135 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -18.709 5.947 -1.667 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -19.895 4.468 -3.175 1.00 0.00 C ATOM 1141 CZ PHE A 70 -18.869 5.391 -2.942 1.00 0.00 C ATOM 0 H PHE A 70 -23.241 3.859 1.957 1.00 0.00 H new ATOM 0 HA PHE A 70 -22.346 6.205 0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -20.970 4.154 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -21.925 3.238 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -19.452 6.017 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -21.532 3.372 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -17.917 6.658 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -20.025 4.044 -4.159 1.00 0.00 H new ATOM 0 HZ PHE A 70 -18.203 5.674 -3.743 1.00 0.00 H new ATOM 1151 N GLU A 71 -24.320 4.111 -1.029 1.00 0.00 N ATOM 1152 CA GLU A 71 -25.122 3.935 -2.220 1.00 0.00 C ATOM 1153 C GLU A 71 -26.406 4.719 -2.122 1.00 0.00 C ATOM 1154 O GLU A 71 -27.000 5.058 -3.143 1.00 0.00 O ATOM 1155 CB GLU A 71 -25.480 2.449 -2.477 1.00 0.00 C ATOM 1156 CG GLU A 71 -24.268 1.515 -2.704 1.00 0.00 C ATOM 1157 CD GLU A 71 -23.663 1.674 -4.101 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -23.095 2.760 -4.392 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -23.742 0.694 -4.890 1.00 0.00 O ATOM 0 H GLU A 71 -24.340 3.304 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 71 -24.516 4.299 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.053 2.077 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -26.131 2.393 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.505 1.725 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -24.578 0.480 -2.561 1.00 0.00 H new