USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot -160:sc= 0.702 USER MOD Set 1.2: A 100 CYS SG : rot -160:sc= 0.653 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 114 THR OG1 : rot 130:sc= -1.69 USER MOD Single : A 17 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 24 THR OG1 : rot -74:sc= 1.84 USER MOD Single : A 25 MET CE :methyl 153:sc= -0.0131 (180deg=-0.265) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0619 K(o=-0.062,f=-1.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 41:sc= -0.0183 USER MOD Single : A 37 SER OG : rot -147:sc= -1.14 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.908 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 45 LYS NZ :NH3+ -116:sc= -0.283 (180deg=-1.85!) USER MOD Single : A 46 ASN : amide:sc= -1.32 K(o=-1.3,f=-8.5!) USER MOD Single : A 64 HIS : no HD1:sc= -0.614 X(o=-0.61,f=-0.39) USER MOD Single : A 72 TYR OH : rot -93:sc= 1.28 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.69 K(o=-1.7,f=-4.3!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -37:sc= 0.0573 USER MOD Single : A 101 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 106 LYS NZ :NH3+ -162:sc= -0.0276 (180deg=-0.207) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 1.714 5.086 -15.492 1.00 62.40 N ATOM 154 CA ARG A 13 2.645 4.286 -14.705 1.00 13.43 C ATOM 155 C ARG A 13 3.617 3.536 -15.611 1.00 51.13 C ATOM 156 O ARG A 13 3.259 2.531 -16.225 1.00 65.25 O ATOM 157 CB ARG A 13 1.881 3.294 -13.826 1.00 71.33 C ATOM 158 CG ARG A 13 1.035 3.957 -12.752 1.00 64.41 C ATOM 159 CD ARG A 13 0.702 2.989 -11.628 1.00 64.44 C ATOM 160 NE ARG A 13 0.391 3.683 -10.381 1.00 53.53 N ATOM 161 CZ ARG A 13 -0.287 3.130 -9.381 1.00 72.45 C ATOM 162 NH1 ARG A 13 -0.721 1.881 -9.481 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -0.531 3.826 -8.278 1.00 74.21 N ATOM 0 HA ARG A 13 3.216 4.961 -14.067 1.00 13.43 H new ATOM 0 HB2 ARG A 13 1.237 2.683 -14.458 1.00 71.33 H new ATOM 0 HB3 ARG A 13 2.593 2.620 -13.351 1.00 71.33 H new ATOM 0 HG2 ARG A 13 1.568 4.817 -12.347 1.00 64.41 H new ATOM 0 HG3 ARG A 13 0.113 4.333 -13.195 1.00 64.41 H new ATOM 0 HD2 ARG A 13 -0.148 2.372 -11.921 1.00 64.44 H new ATOM 0 HD3 ARG A 13 1.544 2.316 -11.468 1.00 64.44 H new ATOM 0 HE ARG A 13 0.712 4.645 -10.272 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -0.535 1.343 -10.327 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -1.241 1.459 -8.712 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -0.198 4.787 -8.197 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -1.052 3.400 -7.511 1.00 74.21 H new ATOM 177 N ILE A 14 4.848 4.032 -15.688 1.00 31.23 N ATOM 178 CA ILE A 14 5.871 3.409 -16.518 1.00 21.45 C ATOM 179 C ILE A 14 6.137 1.973 -16.077 1.00 33.43 C ATOM 180 O ILE A 14 6.303 1.682 -14.893 1.00 4.22 O ATOM 181 CB ILE A 14 7.191 4.201 -16.474 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.954 5.653 -16.893 1.00 40.21 C ATOM 183 CG2 ILE A 14 8.231 3.548 -17.373 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.502 5.802 -18.329 1.00 72.40 C ATOM 0 H ILE A 14 5.160 4.863 -15.186 1.00 31.23 H new ATOM 0 HA ILE A 14 5.492 3.408 -17.540 1.00 21.45 H new ATOM 0 HB ILE A 14 7.567 4.194 -15.451 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.204 6.094 -16.237 1.00 40.21 H new ATOM 0 HG13 ILE A 14 7.875 6.219 -16.750 1.00 40.21 H new ATOM 0 HG21 ILE A 14 9.158 4.119 -17.331 1.00 71.10 H new ATOM 0 HG22 ILE A 14 8.417 2.529 -17.034 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.864 3.527 -18.399 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.353 6.858 -18.556 1.00 72.40 H new ATOM 0 HD12 ILE A 14 7.262 5.391 -18.994 1.00 72.40 H new ATOM 0 HD13 ILE A 14 5.565 5.265 -18.473 1.00 72.40 H new ATOM 196 N PRO A 15 6.181 1.053 -17.052 1.00 52.44 N ATOM 197 CA PRO A 15 6.430 -0.367 -16.790 1.00 71.33 C ATOM 198 C PRO A 15 7.863 -0.632 -16.341 1.00 44.54 C ATOM 199 O PRO A 15 8.619 0.300 -16.067 1.00 21.35 O ATOM 200 CB PRO A 15 6.162 -1.030 -18.143 1.00 32.33 C ATOM 201 CG PRO A 15 6.408 0.043 -19.146 1.00 35.51 C ATOM 202 CD PRO A 15 5.992 1.329 -18.486 1.00 52.11 C ATOM 0 HA PRO A 15 5.805 -0.748 -15.982 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.823 -1.882 -18.304 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.140 -1.403 -18.205 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.459 0.074 -19.434 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.833 -0.133 -20.055 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.604 2.167 -18.818 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.956 1.581 -18.714 1.00 52.11 H new ATOM 210 N GLU A 16 8.230 -1.907 -16.269 1.00 24.10 N ATOM 211 CA GLU A 16 9.573 -2.293 -15.853 1.00 63.23 C ATOM 212 C GLU A 16 10.629 -1.549 -16.666 1.00 23.52 C ATOM 213 O GLU A 16 10.362 -1.091 -17.777 1.00 3.13 O ATOM 214 CB GLU A 16 9.766 -3.803 -16.007 1.00 12.45 C ATOM 215 CG GLU A 16 9.157 -4.613 -14.875 1.00 54.23 C ATOM 216 CD GLU A 16 9.669 -6.040 -14.838 1.00 62.22 C ATOM 217 OE1 GLU A 16 10.884 -6.240 -15.047 1.00 73.31 O ATOM 218 OE2 GLU A 16 8.855 -6.957 -14.601 1.00 11.13 O1- ATOM 0 H GLU A 16 7.616 -2.690 -16.493 1.00 24.10 H new ATOM 0 HA GLU A 16 9.691 -2.025 -14.803 1.00 63.23 H new ATOM 0 HB2 GLU A 16 9.324 -4.123 -16.950 1.00 12.45 H new ATOM 0 HB3 GLU A 16 10.833 -4.020 -16.065 1.00 12.45 H new ATOM 0 HG2 GLU A 16 9.379 -4.127 -13.925 1.00 54.23 H new ATOM 0 HG3 GLU A 16 8.072 -4.623 -14.983 1.00 54.23 H new ATOM 225 N GLN A 17 11.827 -1.432 -16.103 1.00 15.32 N ATOM 226 CA GLN A 17 12.923 -0.743 -16.775 1.00 43.30 C ATOM 227 C GLN A 17 13.482 -1.590 -17.914 1.00 14.04 C ATOM 228 O GLN A 17 13.295 -2.806 -17.945 1.00 32.12 O ATOM 229 CB GLN A 17 14.034 -0.412 -15.776 1.00 2.54 C ATOM 230 CG GLN A 17 14.552 -1.624 -15.019 1.00 15.05 C ATOM 231 CD GLN A 17 15.984 -1.452 -14.552 1.00 5.52 C ATOM 232 OE1 GLN A 17 16.905 -2.057 -15.100 1.00 25.01 O ATOM 233 NE2 GLN A 17 16.178 -0.623 -13.532 1.00 30.14 N ATOM 0 H GLN A 17 12.064 -1.805 -15.184 1.00 15.32 H new ATOM 0 HA GLN A 17 12.533 0.184 -17.194 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.863 0.055 -16.308 1.00 2.54 H new ATOM 0 HB3 GLN A 17 13.661 0.321 -15.060 1.00 2.54 H new ATOM 0 HG2 GLN A 17 13.912 -1.809 -14.156 1.00 15.05 H new ATOM 0 HG3 GLN A 17 14.486 -2.503 -15.660 1.00 15.05 H new ATOM 0 HE21 GLN A 17 15.385 -0.142 -13.108 1.00 30.14 H new ATOM 0 HE22 GLN A 17 17.120 -0.467 -13.173 1.00 30.14 H new ATOM 242 N ILE A 18 14.168 -0.938 -18.847 1.00 24.21 N ATOM 243 CA ILE A 18 14.754 -1.632 -19.987 1.00 45.03 C ATOM 244 C ILE A 18 16.117 -1.048 -20.344 1.00 53.13 C ATOM 245 O ILE A 18 16.563 -0.073 -19.740 1.00 34.14 O ATOM 246 CB ILE A 18 13.837 -1.559 -21.222 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.365 -0.121 -21.450 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.648 -2.493 -21.055 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.511 0.342 -22.883 1.00 51.52 C ATOM 0 H ILE A 18 14.331 0.069 -18.836 1.00 24.21 H new ATOM 0 HA ILE A 18 14.874 -2.675 -19.695 1.00 45.03 H new ATOM 0 HB ILE A 18 14.404 -1.878 -22.097 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.319 -0.039 -21.155 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.932 0.546 -20.801 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.009 -2.430 -21.936 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.003 -3.517 -20.937 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.078 -2.202 -20.172 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.157 1.369 -22.971 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.560 0.293 -23.176 1.00 51.52 H new ATOM 0 HD13 ILE A 18 12.921 -0.302 -23.535 1.00 51.52 H new ATOM 261 N ARG A 19 16.773 -1.651 -21.330 1.00 71.23 N ATOM 262 CA ARG A 19 18.085 -1.191 -21.768 1.00 75.34 C ATOM 263 C ARG A 19 18.099 -0.943 -23.274 1.00 62.41 C ATOM 264 O ARG A 19 17.693 -1.801 -24.058 1.00 51.13 O ATOM 265 CB ARG A 19 19.158 -2.217 -21.399 1.00 70.32 C ATOM 266 CG ARG A 19 20.569 -1.775 -21.751 1.00 12.13 C ATOM 267 CD ARG A 19 21.604 -2.467 -20.878 1.00 72.31 C ATOM 268 NE ARG A 19 22.568 -3.227 -21.669 1.00 22.42 N ATOM 269 CZ ARG A 19 22.323 -4.434 -22.165 1.00 11.21 C ATOM 270 NH1 ARG A 19 21.151 -5.016 -21.954 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 23.251 -5.062 -22.876 1.00 23.13 N ATOM 0 H ARG A 19 16.417 -2.459 -21.841 1.00 71.23 H new ATOM 0 HA ARG A 19 18.301 -0.251 -21.260 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.105 -2.417 -20.329 1.00 70.32 H new ATOM 0 HB3 ARG A 19 18.942 -3.156 -21.909 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.770 -1.996 -22.799 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.654 -0.695 -21.631 1.00 12.13 H new ATOM 0 HD2 ARG A 19 22.131 -1.722 -20.282 1.00 72.31 H new ATOM 0 HD3 ARG A 19 21.100 -3.136 -20.180 1.00 72.31 H new ATOM 0 HE ARG A 19 23.480 -2.807 -21.850 1.00 22.42 H new ATOM 0 HH11 ARG A 19 20.434 -4.537 -21.409 1.00 43.31 H new ATOM 0 HH12 ARG A 19 20.966 -5.943 -22.336 1.00 43.31 H new ATOM 0 HH21 ARG A 19 24.154 -4.617 -23.042 1.00 23.13 H new ATOM 0 HH22 ARG A 19 23.061 -5.989 -23.256 1.00 23.13 H new ATOM 285 N ILE A 20 18.568 0.236 -23.669 1.00 35.55 N ATOM 286 CA ILE A 20 18.636 0.596 -25.080 1.00 64.45 C ATOM 287 C ILE A 20 20.081 0.761 -25.537 1.00 32.03 C ATOM 288 O ILE A 20 21.007 0.728 -24.726 1.00 53.21 O ATOM 289 CB ILE A 20 17.867 1.899 -25.366 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.394 3.032 -24.482 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.376 1.695 -25.142 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.127 4.411 -25.043 1.00 21.13 C ATOM 0 H ILE A 20 18.906 0.958 -23.032 1.00 35.55 H new ATOM 0 HA ILE A 20 18.173 -0.219 -25.636 1.00 64.45 H new ATOM 0 HB ILE A 20 18.023 2.174 -26.409 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.936 2.955 -23.496 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.468 2.906 -24.346 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.846 2.625 -25.348 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.011 0.914 -25.809 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.201 1.399 -24.108 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.528 5.164 -24.364 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.608 4.507 -26.016 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.052 4.557 -25.153 1.00 21.13 H new ATOM 304 N PHE A 21 20.267 0.940 -26.841 1.00 73.53 N ATOM 305 CA PHE A 21 21.600 1.112 -27.406 1.00 64.54 C ATOM 306 C PHE A 21 21.679 2.390 -28.236 1.00 32.43 C ATOM 307 O PHE A 21 20.819 2.651 -29.077 1.00 22.23 O ATOM 308 CB PHE A 21 21.969 -0.095 -28.272 1.00 22.21 C ATOM 309 CG PHE A 21 22.713 -1.164 -27.523 1.00 75.22 C ATOM 310 CD1 PHE A 21 24.098 -1.188 -27.515 1.00 21.22 C ATOM 311 CD2 PHE A 21 22.026 -2.147 -26.829 1.00 14.32 C ATOM 312 CE1 PHE A 21 24.785 -2.170 -26.827 1.00 63.25 C ATOM 313 CE2 PHE A 21 22.707 -3.132 -26.139 1.00 44.12 C ATOM 314 CZ PHE A 21 24.088 -3.144 -26.139 1.00 20.14 C ATOM 0 H PHE A 21 19.512 0.970 -27.526 1.00 73.53 H new ATOM 0 HA PHE A 21 22.309 1.191 -26.582 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.059 -0.523 -28.692 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.579 0.242 -29.110 1.00 22.21 H new ATOM 0 HD1 PHE A 21 24.648 -0.430 -28.053 1.00 21.22 H new ATOM 0 HD2 PHE A 21 20.946 -2.143 -26.827 1.00 14.32 H new ATOM 0 HE1 PHE A 21 25.865 -2.176 -26.827 1.00 63.25 H new ATOM 0 HE2 PHE A 21 22.160 -3.892 -25.600 1.00 44.12 H new ATOM 0 HZ PHE A 21 24.622 -3.914 -25.602 1.00 20.14 H new ATOM 324 N PHE A 22 22.716 3.184 -27.992 1.00 34.14 N ATOM 325 CA PHE A 22 22.908 4.436 -28.714 1.00 71.33 C ATOM 326 C PHE A 22 23.928 4.266 -29.836 1.00 24.13 C ATOM 327 O PHE A 22 25.134 4.224 -29.594 1.00 42.03 O ATOM 328 CB PHE A 22 23.365 5.538 -27.756 1.00 34.11 C ATOM 329 CG PHE A 22 22.241 6.391 -27.243 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.036 6.546 -25.882 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.388 7.039 -28.123 1.00 11.41 C ATOM 332 CE1 PHE A 22 21.002 7.331 -25.406 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.353 7.825 -27.654 1.00 34.04 C ATOM 334 CZ PHE A 22 20.159 7.971 -26.294 1.00 31.31 C ATOM 0 H PHE A 22 23.437 2.982 -27.299 1.00 34.14 H new ATOM 0 HA PHE A 22 21.953 4.722 -29.155 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.880 5.082 -26.910 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.089 6.174 -28.265 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.692 6.047 -25.184 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.534 6.928 -29.187 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.854 7.444 -24.342 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.696 8.325 -28.350 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.350 8.584 -25.926 1.00 31.31 H new ATOM 344 N LYS A 23 23.434 4.169 -31.066 1.00 30.42 N ATOM 345 CA LYS A 23 24.301 4.004 -32.228 1.00 1.30 C ATOM 346 C LYS A 23 24.617 5.353 -32.866 1.00 12.33 C ATOM 347 O LYS A 23 23.731 6.189 -33.048 1.00 50.24 O ATOM 348 CB LYS A 23 23.640 3.083 -33.256 1.00 51.30 C ATOM 349 CG LYS A 23 24.525 1.930 -33.697 1.00 73.32 C ATOM 350 CD LYS A 23 24.174 1.462 -35.099 1.00 53.34 C ATOM 351 CE LYS A 23 23.035 0.454 -35.082 1.00 11.44 C ATOM 352 NZ LYS A 23 22.593 0.093 -36.457 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.438 4.202 -31.284 1.00 30.42 H new ATOM 0 HA LYS A 23 25.235 3.553 -31.893 1.00 1.30 H new ATOM 0 HB2 LYS A 23 22.719 2.682 -32.833 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.360 3.670 -34.131 1.00 51.30 H new ATOM 0 HG2 LYS A 23 25.570 2.240 -33.667 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.418 1.100 -32.998 1.00 73.32 H new ATOM 0 HD2 LYS A 23 23.893 2.320 -35.710 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.052 1.013 -35.564 1.00 53.34 H new ATOM 0 HE2 LYS A 23 23.354 -0.445 -34.555 1.00 11.44 H new ATOM 0 HE3 LYS A 23 22.193 0.867 -34.527 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 21.816 -0.596 -36.402 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 22.265 0.947 -36.952 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 23.389 -0.325 -36.979 1.00 75.34 H new ATOM 366 N THR A 24 25.885 5.559 -33.207 1.00 1.24 N ATOM 367 CA THR A 24 26.317 6.805 -33.826 1.00 41.43 C ATOM 368 C THR A 24 27.210 6.539 -35.033 1.00 55.05 C ATOM 369 O THR A 24 27.516 5.390 -35.348 1.00 23.40 O ATOM 370 CB THR A 24 27.079 7.695 -32.825 1.00 24.11 C ATOM 371 OG1 THR A 24 28.377 7.147 -32.572 1.00 65.51 O ATOM 372 CG2 THR A 24 26.311 7.818 -31.518 1.00 50.11 C ATOM 0 H THR A 24 26.631 4.878 -33.065 1.00 1.24 H new ATOM 0 HA THR A 24 25.416 7.325 -34.151 1.00 41.43 H new ATOM 0 HB THR A 24 27.184 8.688 -33.262 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.292 6.354 -32.003 1.00 65.51 H new ATOM 0 HG21 THR A 24 26.868 8.451 -30.827 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.334 8.262 -31.710 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.179 6.829 -31.079 1.00 50.11 H new ATOM 380 N MET A 25 27.624 7.609 -35.704 1.00 73.10 N ATOM 381 CA MET A 25 28.484 7.490 -36.876 1.00 52.45 C ATOM 382 C MET A 25 29.917 7.164 -36.468 1.00 2.30 C ATOM 383 O MET A 25 30.764 6.875 -37.313 1.00 33.11 O ATOM 384 CB MET A 25 28.455 8.785 -37.690 1.00 30.23 C ATOM 385 CG MET A 25 28.887 8.604 -39.136 1.00 63.33 C ATOM 386 SD MET A 25 27.679 7.688 -40.112 1.00 45.42 S ATOM 387 CE MET A 25 28.517 6.116 -40.300 1.00 4.22 C ATOM 0 H MET A 25 27.378 8.567 -35.457 1.00 73.10 H new ATOM 0 HA MET A 25 28.106 6.674 -37.492 1.00 52.45 H new ATOM 0 HB2 MET A 25 27.445 9.195 -37.670 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.106 9.518 -37.214 1.00 30.23 H new ATOM 0 HG2 MET A 25 29.047 9.583 -39.589 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.843 8.080 -39.163 1.00 63.33 H new ATOM 0 HE1 MET A 25 27.780 5.324 -40.432 1.00 4.22 H new ATOM 0 HE2 MET A 25 29.169 6.154 -41.172 1.00 4.22 H new ATOM 0 HE3 MET A 25 29.112 5.912 -39.410 1.00 4.22 H new ATOM 397 N LYS A 26 30.183 7.214 -35.167 1.00 24.12 N ATOM 398 CA LYS A 26 31.513 6.923 -34.646 1.00 45.31 C ATOM 399 C LYS A 26 31.557 5.539 -34.006 1.00 52.32 C ATOM 400 O LYS A 26 32.548 4.820 -34.131 1.00 42.42 O ATOM 401 CB LYS A 26 31.925 7.983 -33.621 1.00 13.34 C ATOM 402 CG LYS A 26 32.505 9.240 -34.247 1.00 61.12 C ATOM 403 CD LYS A 26 33.930 9.019 -34.725 1.00 13.14 C ATOM 404 CE LYS A 26 34.246 9.869 -35.946 1.00 42.23 C ATOM 405 NZ LYS A 26 35.591 9.558 -36.505 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.494 7.454 -34.454 1.00 24.12 H new ATOM 0 HA LYS A 26 32.214 6.940 -35.481 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.056 8.253 -33.021 1.00 13.34 H new ATOM 0 HB3 LYS A 26 32.661 7.553 -32.941 1.00 13.34 H new ATOM 0 HG2 LYS A 26 31.883 9.550 -35.087 1.00 61.12 H new ATOM 0 HG3 LYS A 26 32.486 10.052 -33.520 1.00 61.12 H new ATOM 0 HD2 LYS A 26 34.626 9.261 -33.922 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.075 7.966 -34.966 1.00 13.14 H new ATOM 0 HE2 LYS A 26 33.487 9.702 -36.711 1.00 42.23 H new ATOM 0 HE3 LYS A 26 34.200 10.924 -35.676 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 35.769 10.158 -37.336 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 36.318 9.741 -35.784 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 35.627 8.557 -36.786 1.00 4.53 H new ATOM 419 N GLN A 27 30.477 5.173 -33.324 1.00 23.51 N ATOM 420 CA GLN A 27 30.393 3.874 -32.666 1.00 54.41 C ATOM 421 C GLN A 27 29.060 3.717 -31.941 1.00 32.12 C ATOM 422 O GLN A 27 28.249 4.642 -31.902 1.00 31.42 O ATOM 423 CB GLN A 27 31.548 3.704 -31.678 1.00 35.15 C ATOM 424 CG GLN A 27 31.773 4.917 -30.790 1.00 31.13 C ATOM 425 CD GLN A 27 32.689 4.621 -29.619 1.00 41.01 C ATOM 426 OE1 GLN A 27 32.860 3.467 -29.226 1.00 14.54 O ATOM 427 NE2 GLN A 27 33.285 5.665 -29.054 1.00 44.23 N ATOM 0 H GLN A 27 29.648 5.757 -33.212 1.00 23.51 H new ATOM 0 HA GLN A 27 30.463 3.101 -33.432 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.352 2.835 -31.049 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.463 3.496 -32.233 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.200 5.724 -31.385 1.00 31.13 H new ATOM 0 HG3 GLN A 27 30.813 5.271 -30.415 1.00 31.13 H new ATOM 0 HE21 GLN A 27 33.115 6.605 -29.412 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.913 5.527 -28.262 1.00 44.23 H new ATOM 436 N VAL A 28 28.840 2.538 -31.368 1.00 3.05 N ATOM 437 CA VAL A 28 27.606 2.258 -30.643 1.00 24.14 C ATOM 438 C VAL A 28 27.885 1.979 -29.170 1.00 72.01 C ATOM 439 O VAL A 28 28.677 1.099 -28.833 1.00 14.41 O ATOM 440 CB VAL A 28 26.859 1.056 -31.250 1.00 50.21 C ATOM 441 CG1 VAL A 28 27.752 -0.175 -31.266 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.575 0.784 -30.480 1.00 44.43 C ATOM 0 H VAL A 28 29.500 1.761 -31.392 1.00 3.05 H new ATOM 0 HA VAL A 28 26.980 3.146 -30.729 1.00 24.14 H new ATOM 0 HB VAL A 28 26.595 1.296 -32.280 1.00 50.21 H new ATOM 0 HG11 VAL A 28 27.207 -1.014 -31.698 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.640 0.028 -31.864 1.00 4.54 H new ATOM 0 HG13 VAL A 28 28.050 -0.422 -30.247 1.00 4.54 H new ATOM 0 HG21 VAL A 28 25.059 -0.069 -30.922 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.814 0.564 -29.440 1.00 44.43 H new ATOM 0 HG23 VAL A 28 24.930 1.662 -30.526 1.00 44.43 H new ATOM 452 N VAL A 29 27.229 2.735 -28.296 1.00 62.35 N ATOM 453 CA VAL A 29 27.404 2.568 -26.858 1.00 73.41 C ATOM 454 C VAL A 29 26.086 2.208 -26.181 1.00 41.43 C ATOM 455 O VAL A 29 25.004 2.579 -26.637 1.00 63.42 O ATOM 456 CB VAL A 29 27.970 3.845 -26.209 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.484 3.888 -26.346 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.335 5.082 -26.827 1.00 63.42 C ATOM 0 H VAL A 29 26.571 3.469 -28.558 1.00 62.35 H new ATOM 0 HA VAL A 29 28.114 1.753 -26.719 1.00 73.41 H new ATOM 0 HB VAL A 29 27.726 3.831 -25.147 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.866 4.797 -25.882 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.919 3.019 -25.853 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.754 3.879 -27.402 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.746 5.975 -26.357 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.547 5.104 -27.896 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.257 5.054 -26.671 1.00 63.42 H new ATOM 468 N PRO A 30 26.175 1.469 -25.066 1.00 73.00 N ATOM 469 CA PRO A 30 24.999 1.043 -24.302 1.00 3.14 C ATOM 470 C PRO A 30 24.317 2.208 -23.592 1.00 71.14 C ATOM 471 O PRO A 30 24.944 3.230 -23.313 1.00 11.03 O ATOM 472 CB PRO A 30 25.576 0.059 -23.281 1.00 20.11 C ATOM 473 CG PRO A 30 27.000 0.468 -23.123 1.00 44.03 C ATOM 474 CD PRO A 30 27.432 0.991 -24.465 1.00 41.22 C ATOM 0 HA PRO A 30 24.231 0.611 -24.943 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.041 0.113 -22.333 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.496 -0.969 -23.634 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.103 1.234 -22.354 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.617 -0.377 -22.816 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.162 1.795 -24.367 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.896 0.212 -25.070 1.00 41.22 H new ATOM 482 N ALA A 31 23.030 2.046 -23.302 1.00 53.34 N ATOM 483 CA ALA A 31 22.264 3.084 -22.622 1.00 43.44 C ATOM 484 C ALA A 31 21.136 2.479 -21.793 1.00 41.51 C ATOM 485 O ALA A 31 20.114 2.054 -22.333 1.00 52.01 O ATOM 486 CB ALA A 31 21.706 4.075 -23.633 1.00 11.05 C ATOM 0 H ALA A 31 22.496 1.207 -23.527 1.00 53.34 H new ATOM 0 HA ALA A 31 22.935 3.612 -21.944 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.136 4.844 -23.112 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.527 4.539 -24.179 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.054 3.552 -24.333 1.00 11.05 H new ATOM 492 N LYS A 32 21.328 2.442 -20.479 1.00 42.21 N ATOM 493 CA LYS A 32 20.327 1.890 -19.574 1.00 42.03 C ATOM 494 C LYS A 32 19.209 2.896 -19.320 1.00 53.43 C ATOM 495 O LYS A 32 19.467 4.062 -19.026 1.00 15.15 O ATOM 496 CB LYS A 32 20.976 1.486 -18.248 1.00 10.13 C ATOM 497 CG LYS A 32 21.623 2.646 -17.510 1.00 15.14 C ATOM 498 CD LYS A 32 22.722 2.168 -16.576 1.00 43.25 C ATOM 499 CE LYS A 32 23.432 3.336 -15.908 1.00 41.14 C ATOM 500 NZ LYS A 32 24.545 2.879 -15.030 1.00 23.12 N1+ ATOM 0 H LYS A 32 22.169 2.788 -20.017 1.00 42.21 H new ATOM 0 HA LYS A 32 19.896 1.006 -20.044 1.00 42.03 H new ATOM 0 HB2 LYS A 32 20.220 1.034 -17.606 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.730 0.722 -18.440 1.00 10.13 H new ATOM 0 HG2 LYS A 32 22.037 3.351 -18.230 1.00 15.14 H new ATOM 0 HG3 LYS A 32 20.866 3.183 -16.938 1.00 15.14 H new ATOM 0 HD2 LYS A 32 22.295 1.516 -15.814 1.00 43.25 H new ATOM 0 HD3 LYS A 32 23.444 1.574 -17.136 1.00 43.25 H new ATOM 0 HE2 LYS A 32 23.824 4.008 -16.672 1.00 41.14 H new ATOM 0 HE3 LYS A 32 22.715 3.908 -15.318 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 25.004 3.704 -14.593 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 24.168 2.258 -14.286 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 25.242 2.355 -15.597 1.00 23.12 H new ATOM 514 N ALA A 33 17.968 2.435 -19.435 1.00 74.42 N ATOM 515 CA ALA A 33 16.811 3.294 -19.214 1.00 62.44 C ATOM 516 C ALA A 33 15.927 2.749 -18.098 1.00 33.43 C ATOM 517 O ALA A 33 15.366 1.659 -18.213 1.00 52.11 O ATOM 518 CB ALA A 33 16.010 3.442 -20.500 1.00 44.12 C ATOM 0 H ALA A 33 17.738 1.472 -19.680 1.00 74.42 H new ATOM 0 HA ALA A 33 17.172 4.276 -18.908 1.00 62.44 H new ATOM 0 HB1 ALA A 33 15.149 4.086 -20.320 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.640 3.885 -21.272 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.667 2.461 -20.830 1.00 44.12 H new ATOM 524 N VAL A 34 15.808 3.513 -17.017 1.00 63.33 N ATOM 525 CA VAL A 34 14.992 3.106 -15.879 1.00 45.44 C ATOM 526 C VAL A 34 13.593 3.707 -15.963 1.00 54.42 C ATOM 527 O VAL A 34 13.403 4.786 -16.526 1.00 75.20 O ATOM 528 CB VAL A 34 15.639 3.524 -14.546 1.00 12.22 C ATOM 529 CG1 VAL A 34 15.686 5.040 -14.427 1.00 2.34 C ATOM 530 CG2 VAL A 34 14.887 2.912 -13.374 1.00 72.31 C ATOM 0 H VAL A 34 16.266 4.417 -16.905 1.00 63.33 H new ATOM 0 HA VAL A 34 14.920 2.019 -15.914 1.00 45.44 H new ATOM 0 HB VAL A 34 16.663 3.150 -14.526 1.00 12.22 H new ATOM 0 HG11 VAL A 34 16.146 5.316 -13.479 1.00 2.34 H new ATOM 0 HG12 VAL A 34 16.272 5.451 -15.249 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.673 5.440 -14.469 1.00 2.34 H new ATOM 0 HG21 VAL A 34 15.358 3.218 -12.440 1.00 72.31 H new ATOM 0 HG22 VAL A 34 13.852 3.254 -13.387 1.00 72.31 H new ATOM 0 HG23 VAL A 34 14.911 1.825 -13.454 1.00 72.31 H new ATOM 540 N CYS A 35 12.618 3.003 -15.400 1.00 52.54 N ATOM 541 CA CYS A 35 11.235 3.467 -15.411 1.00 31.55 C ATOM 542 C CYS A 35 11.140 4.904 -14.907 1.00 12.13 C ATOM 543 O CYS A 35 11.450 5.189 -13.751 1.00 51.25 O ATOM 544 CB CYS A 35 10.361 2.553 -14.551 1.00 11.41 C ATOM 545 SG CYS A 35 11.025 2.239 -12.898 1.00 13.12 S ATOM 0 H CYS A 35 12.759 2.109 -14.930 1.00 52.54 H new ATOM 0 HA CYS A 35 10.876 3.437 -16.440 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.371 3.000 -14.455 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.232 1.601 -15.066 1.00 11.41 H new ATOM 0 HG CYS A 35 11.525 3.338 -12.415 1.00 13.12 H new ATOM 551 N GLY A 36 10.709 5.806 -15.783 1.00 33.13 N ATOM 552 CA GLY A 36 10.582 7.202 -15.409 1.00 22.01 C ATOM 553 C GLY A 36 11.668 8.067 -16.019 1.00 2.31 C ATOM 554 O GLY A 36 11.725 9.271 -15.769 1.00 12.12 O ATOM 0 H GLY A 36 10.445 5.595 -16.745 1.00 33.13 H new ATOM 0 HA2 GLY A 36 9.607 7.572 -15.725 1.00 22.01 H new ATOM 0 HA3 GLY A 36 10.620 7.289 -14.323 1.00 22.01 H new ATOM 558 N SER A 37 12.532 7.452 -16.820 1.00 14.13 N ATOM 559 CA SER A 37 13.625 8.172 -17.462 1.00 31.10 C ATOM 560 C SER A 37 13.271 8.521 -18.905 1.00 73.20 C ATOM 561 O SER A 37 12.158 8.263 -19.364 1.00 73.03 O ATOM 562 CB SER A 37 14.905 7.336 -17.427 1.00 61.42 C ATOM 563 OG SER A 37 15.499 7.366 -16.141 1.00 54.42 O ATOM 0 H SER A 37 12.496 6.457 -17.040 1.00 14.13 H new ATOM 0 HA SER A 37 13.790 9.098 -16.912 1.00 31.10 H new ATOM 0 HB2 SER A 37 14.678 6.306 -17.702 1.00 61.42 H new ATOM 0 HB3 SER A 37 15.611 7.715 -18.166 1.00 61.42 H new ATOM 0 HG SER A 37 16.474 7.315 -16.230 1.00 54.42 H new ATOM 569 N THR A 38 14.227 9.111 -19.616 1.00 25.44 N ATOM 570 CA THR A 38 14.018 9.497 -21.006 1.00 13.34 C ATOM 571 C THR A 38 15.248 9.190 -21.853 1.00 44.22 C ATOM 572 O THR A 38 16.380 9.283 -21.378 1.00 73.14 O ATOM 573 CB THR A 38 13.686 10.996 -21.128 1.00 44.44 C ATOM 574 OG1 THR A 38 14.070 11.683 -19.931 1.00 11.42 O ATOM 575 CG2 THR A 38 12.201 11.203 -21.382 1.00 11.40 C ATOM 0 H THR A 38 15.154 9.332 -19.252 1.00 25.44 H new ATOM 0 HA THR A 38 13.173 8.914 -21.373 1.00 13.34 H new ATOM 0 HB THR A 38 14.243 11.400 -21.973 1.00 44.44 H new ATOM 0 HG1 THR A 38 13.857 12.636 -20.018 1.00 11.42 H new ATOM 0 HG21 THR A 38 11.991 12.269 -21.464 1.00 11.40 H new ATOM 0 HG22 THR A 38 11.918 10.705 -22.309 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.628 10.783 -20.555 1.00 11.40 H new ATOM 583 N VAL A 39 15.018 8.823 -23.109 1.00 70.42 N ATOM 584 CA VAL A 39 16.108 8.503 -24.024 1.00 33.14 C ATOM 585 C VAL A 39 17.138 9.626 -24.065 1.00 42.12 C ATOM 586 O VAL A 39 18.300 9.432 -23.704 1.00 10.21 O ATOM 587 CB VAL A 39 15.587 8.247 -25.450 1.00 65.42 C ATOM 588 CG1 VAL A 39 16.718 7.788 -26.358 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.460 7.225 -25.430 1.00 35.23 C ATOM 0 H VAL A 39 14.087 8.740 -23.517 1.00 70.42 H new ATOM 0 HA VAL A 39 16.580 7.595 -23.649 1.00 33.14 H new ATOM 0 HB VAL A 39 15.192 9.182 -25.847 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.330 7.612 -27.361 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.489 8.558 -26.397 1.00 4.01 H new ATOM 0 HG13 VAL A 39 17.146 6.865 -25.967 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.104 7.056 -26.446 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.827 6.287 -25.014 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.641 7.599 -24.816 1.00 35.23 H new ATOM 599 N LEU A 40 16.706 10.802 -24.506 1.00 4.40 N ATOM 600 CA LEU A 40 17.590 11.959 -24.593 1.00 4.13 C ATOM 601 C LEU A 40 18.272 12.226 -23.255 1.00 3.52 C ATOM 602 O LEU A 40 19.417 12.676 -23.209 1.00 65.40 O ATOM 603 CB LEU A 40 16.804 13.195 -25.034 1.00 11.34 C ATOM 604 CG LEU A 40 16.537 13.320 -26.535 1.00 34.30 C ATOM 605 CD1 LEU A 40 17.845 13.352 -27.309 1.00 31.55 C ATOM 606 CD2 LEU A 40 15.656 12.177 -27.017 1.00 22.30 C ATOM 0 H LEU A 40 15.748 10.980 -24.809 1.00 4.40 H new ATOM 0 HA LEU A 40 18.359 11.742 -25.334 1.00 4.13 H new ATOM 0 HB2 LEU A 40 15.846 13.197 -24.513 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.346 14.082 -24.707 1.00 11.34 H new ATOM 0 HG LEU A 40 16.011 14.257 -26.714 1.00 34.30 H new ATOM 0 HD11 LEU A 40 17.635 13.441 -28.375 1.00 31.55 H new ATOM 0 HD12 LEU A 40 18.440 14.206 -26.984 1.00 31.55 H new ATOM 0 HD13 LEU A 40 18.400 12.432 -27.124 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.476 12.282 -28.087 1.00 22.30 H new ATOM 0 HD22 LEU A 40 16.155 11.227 -26.824 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.705 12.202 -26.485 1.00 22.30 H new ATOM 618 N ASP A 41 17.561 11.945 -22.169 1.00 72.45 N ATOM 619 CA ASP A 41 18.098 12.152 -20.829 1.00 42.14 C ATOM 620 C ASP A 41 19.157 11.105 -20.500 1.00 25.23 C ATOM 621 O ASP A 41 20.060 11.349 -19.700 1.00 10.41 O ATOM 622 CB ASP A 41 16.974 12.102 -19.793 1.00 13.44 C ATOM 623 CG ASP A 41 17.396 12.671 -18.453 1.00 24.42 C ATOM 624 OD1 ASP A 41 18.509 13.234 -18.370 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.614 12.555 -17.486 1.00 64.23 O1- ATOM 0 H ASP A 41 16.611 11.573 -22.190 1.00 72.45 H new ATOM 0 HA ASP A 41 18.565 13.136 -20.800 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.115 12.659 -20.166 1.00 13.44 H new ATOM 0 HB3 ASP A 41 16.652 11.069 -19.661 1.00 13.44 H new ATOM 630 N VAL A 42 19.040 9.936 -21.124 1.00 2.11 N ATOM 631 CA VAL A 42 19.987 8.851 -20.898 1.00 13.25 C ATOM 632 C VAL A 42 21.296 9.101 -21.639 1.00 11.24 C ATOM 633 O VAL A 42 22.379 8.928 -21.082 1.00 54.34 O ATOM 634 CB VAL A 42 19.407 7.497 -21.346 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.445 6.395 -21.199 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.151 7.167 -20.552 1.00 61.21 C ATOM 0 H VAL A 42 18.299 9.717 -21.790 1.00 2.11 H new ATOM 0 HA VAL A 42 20.180 8.818 -19.826 1.00 13.25 H new ATOM 0 HB VAL A 42 19.136 7.569 -22.399 1.00 43.20 H new ATOM 0 HG11 VAL A 42 20.016 5.446 -21.521 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.313 6.628 -21.815 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.751 6.320 -20.155 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.754 6.207 -20.881 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.395 7.114 -19.491 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.403 7.943 -20.714 1.00 61.21 H new ATOM 646 N ALA A 43 21.187 9.509 -22.899 1.00 21.42 N ATOM 647 CA ALA A 43 22.362 9.785 -23.716 1.00 20.42 C ATOM 648 C ALA A 43 23.319 10.732 -23.000 1.00 42.52 C ATOM 649 O ALA A 43 24.532 10.678 -23.205 1.00 14.32 O ATOM 650 CB ALA A 43 21.946 10.369 -25.058 1.00 62.22 C ATOM 0 H ALA A 43 20.297 9.656 -23.376 1.00 21.42 H new ATOM 0 HA ALA A 43 22.884 8.843 -23.887 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.833 10.570 -25.658 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.307 9.658 -25.582 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.399 11.298 -24.897 1.00 62.22 H new ATOM 656 N HIS A 44 22.766 11.601 -22.159 1.00 12.51 N ATOM 657 CA HIS A 44 23.571 12.560 -21.412 1.00 50.24 C ATOM 658 C HIS A 44 24.377 11.861 -20.321 1.00 54.31 C ATOM 659 O HIS A 44 25.526 12.217 -20.057 1.00 12.45 O ATOM 660 CB HIS A 44 22.678 13.635 -20.792 1.00 75.20 C ATOM 661 CG HIS A 44 23.438 14.697 -20.059 1.00 61.53 C ATOM 662 ND1 HIS A 44 24.534 15.342 -20.593 1.00 44.12 N ATOM 663 CD2 HIS A 44 23.255 15.227 -18.828 1.00 13.23 C ATOM 664 CE1 HIS A 44 24.992 16.222 -19.721 1.00 32.52 C ATOM 665 NE2 HIS A 44 24.233 16.172 -18.641 1.00 53.52 N ATOM 0 H HIS A 44 21.764 11.660 -21.978 1.00 12.51 H new ATOM 0 HA HIS A 44 24.266 13.032 -22.107 1.00 50.24 H new ATOM 0 HB2 HIS A 44 22.086 14.102 -21.579 1.00 75.20 H new ATOM 0 HB3 HIS A 44 21.977 13.161 -20.104 1.00 75.20 H new ATOM 0 HD2 HIS A 44 22.483 14.957 -18.123 1.00 13.23 H new ATOM 0 HE1 HIS A 44 25.842 16.872 -19.866 1.00 32.52 H new ATOM 0 HE2 HIS A 44 24.354 16.743 -17.804 1.00 53.52 H new ATOM 673 N LYS A 45 23.767 10.864 -19.689 1.00 13.22 N ATOM 674 CA LYS A 45 24.426 10.114 -18.627 1.00 44.10 C ATOM 675 C LYS A 45 25.511 9.204 -19.196 1.00 71.53 C ATOM 676 O LYS A 45 26.614 9.127 -18.657 1.00 73.03 O ATOM 677 CB LYS A 45 23.403 9.281 -17.851 1.00 74.53 C ATOM 678 CG LYS A 45 22.151 10.054 -17.473 1.00 40.45 C ATOM 679 CD LYS A 45 22.463 11.179 -16.502 1.00 63.15 C ATOM 680 CE LYS A 45 22.579 10.668 -15.074 1.00 32.12 C ATOM 681 NZ LYS A 45 23.960 10.207 -14.760 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.816 10.557 -19.894 1.00 13.22 H new ATOM 0 HA LYS A 45 24.893 10.828 -17.949 1.00 44.10 H new ATOM 0 HB2 LYS A 45 23.119 8.417 -18.452 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.871 8.898 -16.944 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.691 10.465 -18.372 1.00 40.45 H new ATOM 0 HG3 LYS A 45 21.425 9.376 -17.025 1.00 40.45 H new ATOM 0 HD2 LYS A 45 23.395 11.664 -16.793 1.00 63.15 H new ATOM 0 HD3 LYS A 45 21.680 11.935 -16.556 1.00 63.15 H new ATOM 0 HE2 LYS A 45 22.294 11.459 -14.381 1.00 32.12 H new ATOM 0 HE3 LYS A 45 21.879 9.846 -14.924 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 23.949 9.186 -14.562 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 24.582 10.395 -15.572 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 24.315 10.717 -13.926 1.00 61.40 H new ATOM 695 N ASN A 46 25.189 8.519 -20.288 1.00 44.51 N ATOM 696 CA ASN A 46 26.137 7.616 -20.930 1.00 43.23 C ATOM 697 C ASN A 46 27.240 8.398 -21.638 1.00 15.11 C ATOM 698 O ASN A 46 28.344 7.893 -21.837 1.00 20.00 O ATOM 699 CB ASN A 46 25.415 6.712 -21.931 1.00 55.02 C ATOM 700 CG ASN A 46 26.342 5.690 -22.561 1.00 74.42 C ATOM 701 OD1 ASN A 46 26.708 5.807 -23.731 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.726 4.682 -21.787 1.00 50.43 N ATOM 0 H ASN A 46 24.279 8.572 -20.747 1.00 44.51 H new ATOM 0 HA ASN A 46 26.593 6.999 -20.156 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.598 6.195 -21.427 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.969 7.325 -22.714 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.349 3.964 -22.156 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.398 4.625 -20.823 1.00 50.43 H new ATOM 709 N GLY A 47 26.931 9.635 -22.017 1.00 71.54 N ATOM 710 CA GLY A 47 27.905 10.467 -22.698 1.00 65.12 C ATOM 711 C GLY A 47 27.605 10.619 -24.176 1.00 62.25 C ATOM 712 O GLY A 47 28.193 11.463 -24.852 1.00 22.30 O ATOM 0 H GLY A 47 26.024 10.075 -21.864 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.926 11.452 -22.232 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.898 10.034 -22.575 1.00 65.12 H new ATOM 716 N VAL A 48 26.688 9.800 -24.679 1.00 31.22 N ATOM 717 CA VAL A 48 26.311 9.847 -26.087 1.00 41.02 C ATOM 718 C VAL A 48 25.908 11.258 -26.501 1.00 3.44 C ATOM 719 O VAL A 48 25.088 11.899 -25.844 1.00 22.32 O ATOM 720 CB VAL A 48 25.148 8.883 -26.389 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.863 8.842 -27.883 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.458 7.492 -25.858 1.00 32.44 C ATOM 0 H VAL A 48 26.192 9.096 -24.133 1.00 31.22 H new ATOM 0 HA VAL A 48 27.186 9.539 -26.660 1.00 41.02 H new ATOM 0 HB VAL A 48 24.254 9.249 -25.883 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.039 8.156 -28.077 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.594 9.840 -28.230 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.752 8.501 -28.414 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.626 6.824 -26.080 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.363 7.114 -26.333 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.607 7.539 -24.779 1.00 32.44 H new ATOM 732 N ASP A 49 26.490 11.736 -27.596 1.00 40.14 N ATOM 733 CA ASP A 49 26.190 13.071 -28.100 1.00 14.22 C ATOM 734 C ASP A 49 24.849 13.090 -28.827 1.00 34.02 C ATOM 735 O ASP A 49 24.796 13.033 -30.056 1.00 75.21 O ATOM 736 CB ASP A 49 27.300 13.545 -29.039 1.00 52.55 C ATOM 737 CG ASP A 49 27.273 15.045 -29.257 1.00 23.12 C ATOM 738 OD1 ASP A 49 26.300 15.692 -28.814 1.00 1.55 O ATOM 739 OD2 ASP A 49 28.224 15.573 -29.870 1.00 61.21 O1- ATOM 0 H ASP A 49 27.172 11.219 -28.151 1.00 40.14 H new ATOM 0 HA ASP A 49 26.130 13.749 -27.249 1.00 14.22 H new ATOM 0 HB2 ASP A 49 28.267 13.258 -28.627 1.00 52.55 H new ATOM 0 HB3 ASP A 49 27.200 13.039 -29.999 1.00 52.55 H new ATOM 744 N LEU A 50 23.768 13.168 -28.060 1.00 12.10 N ATOM 745 CA LEU A 50 22.425 13.193 -28.630 1.00 14.20 C ATOM 746 C LEU A 50 21.780 14.563 -28.445 1.00 31.24 C ATOM 747 O LEU A 50 21.380 14.926 -27.339 1.00 24.23 O ATOM 748 CB LEU A 50 21.554 12.115 -27.983 1.00 11.15 C ATOM 749 CG LEU A 50 20.624 11.349 -28.924 1.00 12.15 C ATOM 750 CD1 LEU A 50 19.773 12.314 -29.735 1.00 70.43 C ATOM 751 CD2 LEU A 50 21.426 10.440 -29.843 1.00 5.33 C ATOM 0 H LEU A 50 23.795 13.215 -27.041 1.00 12.10 H new ATOM 0 HA LEU A 50 22.507 12.992 -29.698 1.00 14.20 H new ATOM 0 HB2 LEU A 50 22.208 11.397 -27.487 1.00 11.15 H new ATOM 0 HB3 LEU A 50 20.948 12.583 -27.207 1.00 11.15 H new ATOM 0 HG LEU A 50 19.960 10.729 -28.322 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.117 11.751 -30.399 1.00 70.43 H new ATOM 0 HD12 LEU A 50 19.171 12.923 -29.061 1.00 70.43 H new ATOM 0 HD13 LEU A 50 20.420 12.961 -30.327 1.00 70.43 H new ATOM 0 HD21 LEU A 50 20.748 9.903 -30.506 1.00 5.33 H new ATOM 0 HD22 LEU A 50 22.115 11.040 -30.438 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.991 9.725 -29.245 1.00 5.33 H new ATOM 905 N CYS A 63 11.502 14.856 -37.624 1.00 12.42 N ATOM 906 CA CYS A 63 12.742 14.198 -37.228 1.00 3.52 C ATOM 907 C CYS A 63 13.232 13.258 -38.325 1.00 2.45 C ATOM 908 O CYS A 63 12.435 12.647 -39.038 1.00 4.13 O ATOM 909 CB CYS A 63 12.538 13.420 -35.927 1.00 25.53 C ATOM 910 SG CYS A 63 11.893 14.426 -34.552 1.00 22.10 S ATOM 0 HA CYS A 63 13.498 14.967 -37.068 1.00 3.52 H new ATOM 0 HB2 CYS A 63 11.850 12.595 -36.113 1.00 25.53 H new ATOM 0 HB3 CYS A 63 13.489 12.980 -35.626 1.00 25.53 H new ATOM 0 HG CYS A 63 12.149 13.834 -33.424 1.00 22.10 H new ATOM 915 N HIS A 64 14.551 13.145 -38.455 1.00 63.44 N ATOM 916 CA HIS A 64 15.149 12.279 -39.464 1.00 3.42 C ATOM 917 C HIS A 64 16.305 11.477 -38.875 1.00 30.22 C ATOM 918 O HIS A 64 17.473 11.798 -39.097 1.00 61.33 O ATOM 919 CB HIS A 64 15.639 13.107 -40.652 1.00 52.43 C ATOM 920 CG HIS A 64 16.420 14.321 -40.254 1.00 13.30 C ATOM 921 ND1 HIS A 64 17.789 14.413 -40.389 1.00 62.35 N ATOM 922 CD2 HIS A 64 16.016 15.499 -39.723 1.00 65.44 C ATOM 923 CE1 HIS A 64 18.194 15.594 -39.957 1.00 13.15 C ATOM 924 NE2 HIS A 64 17.137 16.272 -39.548 1.00 23.12 N ATOM 0 H HIS A 64 15.225 13.643 -37.874 1.00 63.44 H new ATOM 0 HA HIS A 64 14.385 11.582 -39.808 1.00 3.42 H new ATOM 0 HB2 HIS A 64 16.260 12.479 -41.291 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.780 13.417 -41.247 1.00 52.43 H new ATOM 0 HD2 HIS A 64 15.001 15.779 -39.482 1.00 65.44 H new ATOM 0 HE1 HIS A 64 19.215 15.945 -39.941 1.00 13.15 H new ATOM 0 HE2 HIS A 64 17.151 17.217 -39.164 1.00 23.12 H new ATOM 932 N VAL A 65 15.973 10.433 -38.123 1.00 61.11 N ATOM 933 CA VAL A 65 16.984 9.585 -37.502 1.00 32.34 C ATOM 934 C VAL A 65 16.731 8.113 -37.809 1.00 22.50 C ATOM 935 O VAL A 65 15.609 7.719 -38.129 1.00 34.33 O ATOM 936 CB VAL A 65 17.019 9.780 -35.974 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.281 9.167 -35.387 1.00 72.25 C ATOM 938 CG2 VAL A 65 16.922 11.257 -35.624 1.00 23.01 C ATOM 0 H VAL A 65 15.011 10.154 -37.929 1.00 61.11 H new ATOM 0 HA VAL A 65 17.946 9.881 -37.921 1.00 32.34 H new ATOM 0 HB VAL A 65 16.159 9.270 -35.540 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.289 9.314 -34.307 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.304 8.100 -35.608 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.156 9.647 -35.825 1.00 72.25 H new ATOM 0 HG21 VAL A 65 16.948 11.377 -34.541 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.761 11.792 -36.069 1.00 23.01 H new ATOM 0 HG23 VAL A 65 15.987 11.662 -36.011 1.00 23.01 H new ATOM 948 N ILE A 66 17.781 7.305 -37.710 1.00 21.12 N ATOM 949 CA ILE A 66 17.672 5.876 -37.976 1.00 32.41 C ATOM 950 C ILE A 66 17.324 5.105 -36.707 1.00 54.10 C ATOM 951 O ILE A 66 17.950 5.293 -35.662 1.00 14.31 O ATOM 952 CB ILE A 66 18.979 5.311 -38.564 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.250 5.923 -39.940 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.906 3.795 -38.657 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.577 5.507 -40.535 1.00 62.21 C ATOM 0 H ILE A 66 18.717 7.615 -37.448 1.00 21.12 H new ATOM 0 HA ILE A 66 16.871 5.752 -38.705 1.00 32.41 H new ATOM 0 HB ILE A 66 19.803 5.575 -37.901 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.449 5.635 -40.621 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.223 7.010 -39.857 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.837 3.411 -39.074 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.754 3.376 -37.662 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.074 3.510 -39.301 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.702 5.978 -41.510 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.386 5.819 -39.874 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.600 4.423 -40.650 1.00 62.21 H new ATOM 967 N LEU A 67 16.324 4.236 -36.804 1.00 62.31 N ATOM 968 CA LEU A 67 15.894 3.434 -35.664 1.00 64.04 C ATOM 969 C LEU A 67 15.868 1.951 -36.020 1.00 12.11 C ATOM 970 O LEU A 67 15.830 1.587 -37.195 1.00 61.41 O ATOM 971 CB LEU A 67 14.509 3.882 -35.195 1.00 53.02 C ATOM 972 CG LEU A 67 14.056 3.348 -33.835 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.010 3.798 -32.740 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.636 3.804 -33.530 1.00 10.33 C ATOM 0 H LEU A 67 15.796 4.069 -37.660 1.00 62.31 H new ATOM 0 HA LEU A 67 16.610 3.582 -34.856 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.494 4.971 -35.158 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.778 3.578 -35.944 1.00 53.02 H new ATOM 0 HG LEU A 67 14.067 2.259 -33.871 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.672 3.409 -31.780 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.011 3.421 -32.952 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.033 4.887 -32.702 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.330 3.415 -32.559 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.599 4.893 -33.513 1.00 10.33 H new ATOM 0 HD23 LEU A 67 11.961 3.431 -34.300 1.00 10.33 H new ATOM 986 N GLU A 68 15.886 1.102 -34.998 1.00 71.02 N ATOM 987 CA GLU A 68 15.863 -0.341 -35.204 1.00 2.24 C ATOM 988 C GLU A 68 14.807 -0.726 -36.237 1.00 45.14 C ATOM 989 O GLU A 68 13.739 -0.120 -36.303 1.00 70.41 O ATOM 990 CB GLU A 68 15.587 -1.063 -33.884 1.00 2.12 C ATOM 991 CG GLU A 68 16.689 -2.026 -33.474 1.00 61.11 C ATOM 992 CD GLU A 68 16.244 -3.475 -33.518 1.00 60.41 C ATOM 993 OE1 GLU A 68 15.497 -3.893 -32.609 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.643 -4.190 -34.461 1.00 54.52 O1- ATOM 0 H GLU A 68 15.916 1.388 -34.019 1.00 71.02 H new ATOM 0 HA GLU A 68 16.841 -0.644 -35.578 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.452 -0.322 -33.096 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.649 -1.612 -33.969 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.546 -1.893 -34.134 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.022 -1.783 -32.465 1.00 61.11 H new ATOM 1001 N GLU A 69 15.117 -1.739 -37.042 1.00 22.44 N ATOM 1002 CA GLU A 69 14.196 -2.204 -38.072 1.00 73.04 C ATOM 1003 C GLU A 69 12.864 -2.629 -37.460 1.00 43.43 C ATOM 1004 O GLU A 69 11.806 -2.084 -37.774 1.00 23.14 O ATOM 1005 CB GLU A 69 14.810 -3.372 -38.847 1.00 71.35 C ATOM 1006 CG GLU A 69 15.048 -3.069 -40.317 1.00 42.54 C ATOM 1007 CD GLU A 69 14.941 -4.304 -41.191 1.00 13.13 C ATOM 1008 OE1 GLU A 69 15.849 -5.158 -41.123 1.00 54.15 O ATOM 1009 OE2 GLU A 69 13.950 -4.415 -41.943 1.00 42.34 O1- ATOM 0 H GLU A 69 15.998 -2.252 -37.000 1.00 22.44 H new ATOM 0 HA GLU A 69 14.013 -1.378 -38.759 1.00 73.04 H new ATOM 0 HB2 GLU A 69 15.757 -3.647 -38.383 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.152 -4.237 -38.765 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.324 -2.327 -40.653 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.037 -2.627 -40.438 1.00 42.54 H new ATOM 1016 N PRO A 70 12.916 -3.626 -36.565 1.00 54.22 N ATOM 1017 CA PRO A 70 11.724 -4.147 -35.890 1.00 20.10 C ATOM 1018 C PRO A 70 11.141 -3.152 -34.893 1.00 1.22 C ATOM 1019 O PRO A 70 9.936 -2.895 -34.889 1.00 33.25 O ATOM 1020 CB PRO A 70 12.243 -5.391 -35.163 1.00 54.11 C ATOM 1021 CG PRO A 70 13.695 -5.130 -34.957 1.00 53.54 C ATOM 1022 CD PRO A 70 14.144 -4.322 -36.143 1.00 23.21 C ATOM 0 HA PRO A 70 10.916 -4.353 -36.592 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.728 -5.538 -34.213 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.083 -6.292 -35.755 1.00 54.11 H new ATOM 0 HG2 PRO A 70 13.866 -4.587 -34.028 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.253 -6.064 -34.887 1.00 53.54 H new ATOM 0 HD2 PRO A 70 14.933 -3.619 -35.875 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.539 -4.957 -36.936 1.00 23.21 H new ATOM 1030 N LEU A 71 12.002 -2.594 -34.049 1.00 73.21 N ATOM 1031 CA LEU A 71 11.572 -1.625 -33.047 1.00 71.13 C ATOM 1032 C LEU A 71 10.757 -0.506 -33.686 1.00 14.24 C ATOM 1033 O LEU A 71 9.706 -0.118 -33.173 1.00 22.31 O ATOM 1034 CB LEU A 71 12.785 -1.039 -32.322 1.00 11.33 C ATOM 1035 CG LEU A 71 12.552 -0.588 -30.880 1.00 51.51 C ATOM 1036 CD1 LEU A 71 11.500 0.508 -30.826 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.140 -1.769 -30.012 1.00 52.41 C ATOM 0 H LEU A 71 13.002 -2.796 -34.039 1.00 73.21 H new ATOM 0 HA LEU A 71 10.940 -2.142 -32.325 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.580 -1.785 -32.324 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.148 -0.185 -32.894 1.00 11.33 H new ATOM 0 HG LEU A 71 13.487 -0.185 -30.491 1.00 51.51 H new ATOM 0 HD11 LEU A 71 11.348 0.816 -29.791 1.00 70.15 H new ATOM 0 HD12 LEU A 71 11.835 1.363 -31.414 1.00 70.15 H new ATOM 0 HD13 LEU A 71 10.562 0.132 -31.234 1.00 70.15 H new ATOM 0 HD21 LEU A 71 11.978 -1.430 -28.989 1.00 52.41 H new ATOM 0 HD22 LEU A 71 11.218 -2.202 -30.401 1.00 52.41 H new ATOM 0 HD23 LEU A 71 12.928 -2.522 -30.024 1.00 52.41 H new ATOM 1049 N TYR A 72 11.246 0.008 -34.809 1.00 23.13 N ATOM 1050 CA TYR A 72 10.563 1.084 -35.518 1.00 72.33 C ATOM 1051 C TYR A 72 9.282 0.577 -36.173 1.00 64.33 C ATOM 1052 O TYR A 72 8.215 1.172 -36.019 1.00 54.01 O ATOM 1053 CB TYR A 72 11.485 1.690 -36.577 1.00 62.53 C ATOM 1054 CG TYR A 72 10.859 2.836 -37.340 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.365 2.653 -38.626 1.00 13.23 C ATOM 1056 CD2 TYR A 72 10.763 4.102 -36.776 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.793 3.697 -39.327 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.191 5.151 -37.469 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.708 4.944 -38.744 1.00 14.41 C ATOM 1060 OH TYR A 72 9.139 5.987 -39.438 1.00 23.11 O ATOM 0 H TYR A 72 12.113 -0.303 -35.248 1.00 23.13 H new ATOM 0 HA TYR A 72 10.299 1.853 -34.792 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.397 2.041 -36.095 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.776 0.911 -37.282 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.429 1.678 -39.085 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.142 4.269 -35.779 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.415 3.538 -40.326 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.122 6.128 -37.015 1.00 12.54 H new ATOM 0 HH TYR A 72 9.838 6.487 -39.908 1.00 23.11 H new ATOM 1070 N ARG A 73 9.395 -0.528 -36.903 1.00 65.44 N ATOM 1071 CA ARG A 73 8.247 -1.116 -37.582 1.00 14.13 C ATOM 1072 C ARG A 73 7.105 -1.367 -36.602 1.00 11.43 C ATOM 1073 O ARG A 73 5.940 -1.121 -36.913 1.00 2.21 O ATOM 1074 CB ARG A 73 8.647 -2.427 -38.262 1.00 24.52 C ATOM 1075 CG ARG A 73 7.806 -2.760 -39.484 1.00 20.20 C ATOM 1076 CD ARG A 73 8.637 -3.434 -40.565 1.00 62.31 C ATOM 1077 NE ARG A 73 9.334 -2.463 -41.404 1.00 14.20 N ATOM 1078 CZ ARG A 73 10.016 -2.790 -42.496 1.00 65.04 C ATOM 1079 NH1 ARG A 73 10.091 -4.057 -42.880 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 10.623 -1.849 -43.208 1.00 13.35 N ATOM 0 H ARG A 73 10.270 -1.034 -37.039 1.00 65.44 H new ATOM 0 HA ARG A 73 7.904 -0.411 -38.339 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.695 -2.369 -38.557 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.564 -3.241 -37.541 1.00 24.52 H new ATOM 0 HG2 ARG A 73 6.984 -3.415 -39.194 1.00 20.20 H new ATOM 0 HG3 ARG A 73 7.362 -1.847 -39.881 1.00 20.20 H new ATOM 0 HD2 ARG A 73 9.364 -4.100 -40.101 1.00 62.31 H new ATOM 0 HD3 ARG A 73 7.990 -4.052 -41.187 1.00 62.31 H new ATOM 0 HE ARG A 73 9.295 -1.479 -41.137 1.00 14.20 H new ATOM 0 HH11 ARG A 73 9.624 -4.783 -42.336 1.00 12.32 H new ATOM 0 HH12 ARG A 73 10.615 -4.305 -43.719 1.00 12.32 H new ATOM 0 HH21 ARG A 73 10.566 -0.873 -42.917 1.00 13.35 H new ATOM 0 HH22 ARG A 73 11.146 -2.102 -44.046 1.00 13.35 H new ATOM 1094 N LYS A 74 7.447 -1.859 -35.416 1.00 33.12 N ATOM 1095 CA LYS A 74 6.453 -2.142 -34.388 1.00 31.02 C ATOM 1096 C LYS A 74 5.891 -0.850 -33.803 1.00 63.21 C ATOM 1097 O LYS A 74 4.678 -0.703 -33.649 1.00 75.00 O ATOM 1098 CB LYS A 74 7.067 -2.994 -33.275 1.00 65.31 C ATOM 1099 CG LYS A 74 7.063 -4.483 -33.575 1.00 40.52 C ATOM 1100 CD LYS A 74 7.016 -5.308 -32.301 1.00 34.44 C ATOM 1101 CE LYS A 74 5.600 -5.408 -31.753 1.00 41.15 C ATOM 1102 NZ LYS A 74 5.539 -6.246 -30.524 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.407 -2.070 -35.143 1.00 33.12 H new ATOM 0 HA LYS A 74 5.636 -2.695 -34.851 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.093 -2.669 -33.105 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.519 -2.817 -32.349 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.204 -4.727 -34.199 1.00 40.52 H new ATOM 0 HG3 LYS A 74 7.955 -4.743 -34.145 1.00 40.52 H new ATOM 0 HD2 LYS A 74 7.402 -6.308 -32.499 1.00 34.44 H new ATOM 0 HD3 LYS A 74 7.667 -4.858 -31.551 1.00 34.44 H new ATOM 0 HE2 LYS A 74 5.225 -4.409 -31.530 1.00 41.15 H new ATOM 0 HE3 LYS A 74 4.945 -5.832 -32.514 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 4.558 -6.289 -30.182 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 5.872 -7.207 -30.742 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 6.144 -5.828 -29.789 1.00 30.01 H new ATOM 1116 N LEU A 75 6.779 0.083 -33.481 1.00 52.50 N ATOM 1117 CA LEU A 75 6.372 1.364 -32.914 1.00 65.55 C ATOM 1118 C LEU A 75 5.518 2.150 -33.904 1.00 75.21 C ATOM 1119 O LEU A 75 4.721 3.002 -33.512 1.00 64.44 O ATOM 1120 CB LEU A 75 7.602 2.184 -32.520 1.00 21.23 C ATOM 1121 CG LEU A 75 7.968 2.173 -31.036 1.00 41.12 C ATOM 1122 CD1 LEU A 75 6.953 2.969 -30.230 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.060 0.745 -30.519 1.00 51.32 C ATOM 0 H LEU A 75 7.786 -0.023 -33.603 1.00 52.50 H new ATOM 0 HA LEU A 75 5.775 1.166 -32.024 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.457 1.815 -33.087 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.438 3.217 -32.826 1.00 21.23 H new ATOM 0 HG LEU A 75 8.944 2.644 -30.919 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.230 2.950 -29.176 1.00 62.14 H new ATOM 0 HD12 LEU A 75 6.937 4.000 -30.582 1.00 62.14 H new ATOM 0 HD13 LEU A 75 5.964 2.528 -30.353 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.321 0.757 -29.461 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.099 0.248 -30.649 1.00 51.32 H new ATOM 0 HD23 LEU A 75 8.826 0.205 -31.076 1.00 51.32 H new ATOM 1135 N GLY A 76 5.688 1.856 -35.189 1.00 21.42 N ATOM 1136 CA GLY A 76 4.925 2.543 -36.215 1.00 10.52 C ATOM 1137 C GLY A 76 5.715 2.736 -37.494 1.00 14.51 C ATOM 1138 O GLY A 76 6.855 3.199 -37.462 1.00 71.33 O ATOM 0 H GLY A 76 6.341 1.154 -35.538 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.021 1.975 -36.433 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.608 3.515 -35.838 1.00 10.52 H new ATOM 1142 N GLU A 77 5.109 2.380 -38.622 1.00 31.22 N ATOM 1143 CA GLU A 77 5.766 2.515 -39.917 1.00 3.31 C ATOM 1144 C GLU A 77 5.031 3.521 -40.797 1.00 55.51 C ATOM 1145 O GLU A 77 3.847 3.802 -40.607 1.00 65.31 O ATOM 1146 CB GLU A 77 5.835 1.159 -40.622 1.00 60.22 C ATOM 1147 CG GLU A 77 4.565 0.336 -40.486 1.00 64.43 C ATOM 1148 CD GLU A 77 4.468 -0.763 -41.526 1.00 52.41 C ATOM 1149 OE1 GLU A 77 4.214 -1.923 -41.140 1.00 31.24 O ATOM 1150 OE2 GLU A 77 4.646 -0.464 -42.725 1.00 22.41 O1- ATOM 0 H GLU A 77 4.165 1.996 -38.666 1.00 31.22 H new ATOM 0 HA GLU A 77 6.779 2.880 -39.746 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.042 1.319 -41.680 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.672 0.590 -40.216 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.528 -0.107 -39.491 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.700 0.993 -40.575 1.00 64.43 H new ATOM 1157 N PRO A 78 5.748 4.078 -41.784 1.00 13.34 N ATOM 1158 CA PRO A 78 5.185 5.062 -42.714 1.00 21.23 C ATOM 1159 C PRO A 78 4.170 4.443 -43.669 1.00 62.01 C ATOM 1160 O PRO A 78 3.837 3.263 -43.556 1.00 42.25 O ATOM 1161 CB PRO A 78 6.409 5.562 -43.485 1.00 40.44 C ATOM 1162 CG PRO A 78 7.391 4.444 -43.404 1.00 2.43 C ATOM 1163 CD PRO A 78 7.164 3.790 -42.069 1.00 41.44 C ATOM 0 HA PRO A 78 4.641 5.850 -42.193 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.157 5.794 -44.520 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.810 6.474 -43.043 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.242 3.734 -44.217 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.413 4.815 -43.488 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.356 2.718 -42.109 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.820 4.203 -41.303 1.00 41.44 H new ATOM 1171 N SER A 79 3.683 5.246 -44.609 1.00 1.54 N ATOM 1172 CA SER A 79 2.703 4.777 -45.582 1.00 22.12 C ATOM 1173 C SER A 79 3.355 4.543 -46.941 1.00 55.34 C ATOM 1174 O SER A 79 4.567 4.698 -47.095 1.00 42.34 O ATOM 1175 CB SER A 79 1.563 5.789 -45.718 1.00 75.41 C ATOM 1176 OG SER A 79 0.938 6.025 -44.468 1.00 71.31 O ATOM 0 H SER A 79 3.951 6.224 -44.718 1.00 1.54 H new ATOM 0 HA SER A 79 2.298 3.830 -45.225 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.951 6.726 -46.117 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.827 5.419 -46.432 1.00 75.41 H new ATOM 0 HG SER A 79 0.215 6.676 -44.582 1.00 71.31 H new ATOM 1182 N ASP A 80 2.543 4.169 -47.923 1.00 2.42 N ATOM 1183 CA ASP A 80 3.039 3.914 -49.270 1.00 64.33 C ATOM 1184 C ASP A 80 3.742 5.146 -49.833 1.00 41.21 C ATOM 1185 O ASP A 80 4.814 5.044 -50.430 1.00 61.31 O ATOM 1186 CB ASP A 80 1.890 3.502 -50.191 1.00 42.53 C ATOM 1187 CG ASP A 80 1.031 2.407 -49.590 1.00 72.41 C ATOM 1188 OD1 ASP A 80 1.501 1.731 -48.651 1.00 61.52 O ATOM 1189 OD2 ASP A 80 -0.113 2.226 -50.059 1.00 62.51 O1- ATOM 0 H ASP A 80 1.538 4.036 -47.812 1.00 2.42 H new ATOM 0 HA ASP A 80 3.761 3.099 -49.216 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.269 4.372 -50.403 1.00 42.53 H new ATOM 0 HB3 ASP A 80 2.296 3.160 -51.143 1.00 42.53 H new ATOM 1194 N LYS A 81 3.131 6.309 -49.639 1.00 63.24 N ATOM 1195 CA LYS A 81 3.696 7.562 -50.126 1.00 42.30 C ATOM 1196 C LYS A 81 5.130 7.738 -49.637 1.00 52.43 C ATOM 1197 O LYS A 81 6.059 7.848 -50.436 1.00 13.12 O ATOM 1198 CB LYS A 81 2.841 8.744 -49.667 1.00 24.44 C ATOM 1199 CG LYS A 81 1.417 8.706 -50.195 1.00 13.30 C ATOM 1200 CD LYS A 81 0.818 10.100 -50.286 1.00 11.42 C ATOM 1201 CE LYS A 81 -0.147 10.216 -51.456 1.00 51.52 C ATOM 1202 NZ LYS A 81 0.563 10.491 -52.736 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.243 6.410 -49.147 1.00 63.24 H new ATOM 0 HA LYS A 81 3.703 7.529 -51.215 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.815 8.762 -48.577 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.315 9.671 -49.990 1.00 24.44 H new ATOM 0 HG2 LYS A 81 1.406 8.239 -51.180 1.00 13.30 H new ATOM 0 HG3 LYS A 81 0.802 8.087 -49.542 1.00 13.30 H new ATOM 0 HD2 LYS A 81 0.296 10.334 -49.358 1.00 11.42 H new ATOM 0 HD3 LYS A 81 1.616 10.834 -50.397 1.00 11.42 H new ATOM 0 HE2 LYS A 81 -0.718 9.292 -51.549 1.00 51.52 H new ATOM 0 HE3 LYS A 81 -0.862 11.014 -51.259 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 -0.129 10.563 -53.509 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 1.088 11.386 -52.657 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 1.227 9.717 -52.938 1.00 62.13 H new ATOM 1216 N GLU A 82 5.302 7.762 -48.319 1.00 13.40 N ATOM 1217 CA GLU A 82 6.624 7.924 -47.724 1.00 22.15 C ATOM 1218 C GLU A 82 7.534 6.757 -48.096 1.00 24.23 C ATOM 1219 O GLU A 82 8.755 6.904 -48.161 1.00 2.21 O ATOM 1220 CB GLU A 82 6.513 8.034 -46.202 1.00 53.12 C ATOM 1221 CG GLU A 82 7.852 7.958 -45.487 1.00 71.53 C ATOM 1222 CD GLU A 82 7.796 8.527 -44.083 1.00 12.30 C ATOM 1223 OE1 GLU A 82 6.945 9.406 -43.833 1.00 14.14 O ATOM 1224 OE2 GLU A 82 8.603 8.094 -43.234 1.00 32.01 O1- ATOM 0 H GLU A 82 4.543 7.671 -47.643 1.00 13.40 H new ATOM 0 HA GLU A 82 7.061 8.842 -48.116 1.00 22.15 H new ATOM 0 HB2 GLU A 82 6.028 8.977 -45.949 1.00 53.12 H new ATOM 0 HB3 GLU A 82 5.868 7.235 -45.834 1.00 53.12 H new ATOM 0 HG2 GLU A 82 8.177 6.919 -45.441 1.00 71.53 H new ATOM 0 HG3 GLU A 82 8.600 8.500 -46.065 1.00 71.53 H new ATOM 1231 N TYR A 83 6.932 5.598 -48.337 1.00 32.52 N ATOM 1232 CA TYR A 83 7.687 4.404 -48.699 1.00 21.41 C ATOM 1233 C TYR A 83 8.443 4.614 -50.008 1.00 74.33 C ATOM 1234 O TYR A 83 9.653 4.398 -50.080 1.00 30.25 O ATOM 1235 CB TYR A 83 6.751 3.201 -48.825 1.00 60.15 C ATOM 1236 CG TYR A 83 6.984 2.139 -47.775 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.874 2.437 -46.422 1.00 33.43 C ATOM 1238 CD2 TYR A 83 7.316 0.839 -48.135 1.00 72.12 C ATOM 1239 CE1 TYR A 83 7.087 1.470 -45.459 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.530 -0.134 -47.178 1.00 71.42 C ATOM 1241 CZ TYR A 83 7.414 0.186 -45.842 1.00 11.20 C ATOM 1242 OH TYR A 83 7.628 -0.781 -44.886 1.00 41.13 O ATOM 0 H TYR A 83 5.923 5.460 -48.288 1.00 32.52 H new ATOM 0 HA TYR A 83 8.412 4.210 -47.908 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.719 3.546 -48.758 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.875 2.757 -49.813 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.618 3.441 -46.119 1.00 33.43 H new ATOM 0 HD2 TYR A 83 7.408 0.585 -49.181 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.998 1.718 -44.412 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.787 -1.140 -47.475 1.00 71.42 H new ATOM 0 HH TYR A 83 7.848 -1.630 -45.323 1.00 41.13 H new ATOM 1252 N ASP A 84 7.721 5.036 -51.039 1.00 24.14 N ATOM 1253 CA ASP A 84 8.322 5.278 -52.346 1.00 41.30 C ATOM 1254 C ASP A 84 9.226 6.506 -52.310 1.00 24.23 C ATOM 1255 O ASP A 84 10.294 6.523 -52.922 1.00 11.41 O ATOM 1256 CB ASP A 84 7.234 5.460 -53.406 1.00 33.25 C ATOM 1257 CG ASP A 84 7.650 4.922 -54.761 1.00 12.43 C ATOM 1258 OD1 ASP A 84 8.768 5.251 -55.212 1.00 71.12 O ATOM 1259 OD2 ASP A 84 6.859 4.172 -55.369 1.00 45.14 O1- ATOM 0 H ASP A 84 6.718 5.218 -50.996 1.00 24.14 H new ATOM 0 HA ASP A 84 8.929 4.411 -52.605 1.00 41.30 H new ATOM 0 HB2 ASP A 84 6.325 4.953 -53.081 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.993 6.519 -53.497 1.00 33.25 H new ATOM 1264 N LEU A 85 8.790 7.534 -51.590 1.00 20.31 N ATOM 1265 CA LEU A 85 9.558 8.768 -51.474 1.00 5.33 C ATOM 1266 C LEU A 85 10.961 8.489 -50.943 1.00 63.15 C ATOM 1267 O LEU A 85 11.954 8.928 -51.523 1.00 64.22 O ATOM 1268 CB LEU A 85 8.839 9.756 -50.554 1.00 32.10 C ATOM 1269 CG LEU A 85 7.632 10.477 -51.155 1.00 40.23 C ATOM 1270 CD1 LEU A 85 6.816 11.153 -50.064 1.00 13.40 C ATOM 1271 CD2 LEU A 85 8.081 11.493 -52.195 1.00 5.43 C ATOM 0 H LEU A 85 7.908 7.537 -51.078 1.00 20.31 H new ATOM 0 HA LEU A 85 9.646 9.206 -52.468 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.510 9.219 -49.664 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.559 10.506 -50.226 1.00 32.10 H new ATOM 0 HG LEU A 85 7.000 9.738 -51.647 1.00 40.23 H new ATOM 0 HD11 LEU A 85 5.961 11.661 -50.511 1.00 13.40 H new ATOM 0 HD12 LEU A 85 6.463 10.403 -49.356 1.00 13.40 H new ATOM 0 HD13 LEU A 85 7.438 11.880 -49.542 1.00 13.40 H new ATOM 0 HD21 LEU A 85 7.209 11.996 -52.612 1.00 5.43 H new ATOM 0 HD22 LEU A 85 8.735 12.228 -51.727 1.00 5.43 H new ATOM 0 HD23 LEU A 85 8.621 10.983 -52.992 1.00 5.43 H new ATOM 1283 N ILE A 86 11.033 7.755 -49.837 1.00 45.10 N ATOM 1284 CA ILE A 86 12.314 7.414 -49.230 1.00 32.42 C ATOM 1285 C ILE A 86 13.030 6.330 -50.028 1.00 52.13 C ATOM 1286 O ILE A 86 14.257 6.322 -50.122 1.00 14.31 O ATOM 1287 CB ILE A 86 12.138 6.935 -47.777 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.403 7.994 -46.953 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.490 6.617 -47.157 1.00 11.21 C ATOM 1290 CD1 ILE A 86 11.019 7.522 -45.568 1.00 63.41 C ATOM 0 H ILE A 86 10.220 7.386 -49.344 1.00 45.10 H new ATOM 0 HA ILE A 86 12.917 8.322 -49.234 1.00 32.42 H new ATOM 0 HB ILE A 86 11.539 6.025 -47.780 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.035 8.878 -46.865 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.503 8.298 -47.487 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.349 6.280 -46.130 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.979 5.831 -47.733 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.112 7.512 -47.163 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.502 8.324 -45.041 1.00 63.41 H new ATOM 0 HD12 ILE A 86 10.361 6.657 -45.648 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.917 7.245 -45.016 1.00 63.41 H new ATOM 1302 N ASP A 87 12.254 5.417 -50.603 1.00 50.21 N ATOM 1303 CA ASP A 87 12.814 4.329 -51.397 1.00 61.54 C ATOM 1304 C ASP A 87 13.610 4.872 -52.579 1.00 73.01 C ATOM 1305 O ASP A 87 14.446 4.173 -53.149 1.00 74.03 O ATOM 1306 CB ASP A 87 11.699 3.408 -51.896 1.00 35.13 C ATOM 1307 CG ASP A 87 12.220 2.303 -52.793 1.00 41.55 C ATOM 1308 OD1 ASP A 87 13.251 1.690 -52.443 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.597 2.050 -53.845 1.00 51.34 O1- ATOM 0 H ASP A 87 11.236 5.409 -50.534 1.00 50.21 H new ATOM 0 HA ASP A 87 13.489 3.757 -50.760 1.00 61.54 H new ATOM 0 HB2 ASP A 87 11.186 2.967 -51.041 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.961 3.997 -52.441 1.00 35.13 H new ATOM 1314 N GLN A 88 13.342 6.122 -52.942 1.00 32.35 N ATOM 1315 CA GLN A 88 14.032 6.758 -54.058 1.00 71.22 C ATOM 1316 C GLN A 88 15.448 7.164 -53.662 1.00 44.01 C ATOM 1317 O GLN A 88 16.335 7.264 -54.509 1.00 30.30 O ATOM 1318 CB GLN A 88 13.253 7.985 -54.535 1.00 71.55 C ATOM 1319 CG GLN A 88 13.647 9.270 -53.826 1.00 72.24 C ATOM 1320 CD GLN A 88 12.556 10.321 -53.875 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.367 10.001 -53.849 1.00 14.12 O ATOM 1322 NE2 GLN A 88 12.954 11.586 -53.946 1.00 31.43 N ATOM 0 H GLN A 88 12.652 6.714 -52.480 1.00 32.35 H new ATOM 0 HA GLN A 88 14.094 6.036 -54.872 1.00 71.22 H new ATOM 0 HB2 GLN A 88 13.408 8.109 -55.607 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.188 7.809 -54.385 1.00 71.55 H new ATOM 0 HG2 GLN A 88 13.886 9.048 -52.786 1.00 72.24 H new ATOM 0 HG3 GLN A 88 14.552 9.670 -54.283 1.00 72.24 H new ATOM 0 HE21 GLN A 88 13.950 11.807 -53.965 1.00 31.43 H new ATOM 0 HE22 GLN A 88 12.264 12.336 -53.981 1.00 31.43 H new ATOM 1331 N ALA A 89 15.653 7.395 -52.370 1.00 43.05 N ATOM 1332 CA ALA A 89 16.961 7.788 -51.862 1.00 33.15 C ATOM 1333 C ALA A 89 17.894 6.586 -51.759 1.00 24.14 C ATOM 1334 O ALA A 89 17.460 5.475 -51.452 1.00 71.13 O ATOM 1335 CB ALA A 89 16.820 8.466 -50.507 1.00 12.20 C ATOM 0 H ALA A 89 14.929 7.317 -51.655 1.00 43.05 H new ATOM 0 HA ALA A 89 17.398 8.496 -52.566 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.805 8.754 -50.140 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.196 9.354 -50.608 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.357 7.776 -49.801 1.00 12.20 H new ATOM 1341 N PHE A 90 19.177 6.814 -52.019 1.00 74.20 N ATOM 1342 CA PHE A 90 20.171 5.749 -51.957 1.00 75.52 C ATOM 1343 C PHE A 90 20.334 5.239 -50.528 1.00 71.45 C ATOM 1344 O PHE A 90 20.661 6.001 -49.619 1.00 12.24 O ATOM 1345 CB PHE A 90 21.516 6.246 -52.490 1.00 64.23 C ATOM 1346 CG PHE A 90 22.487 5.141 -52.792 1.00 13.13 C ATOM 1347 CD1 PHE A 90 23.349 4.671 -51.815 1.00 30.42 C ATOM 1348 CD2 PHE A 90 22.537 4.571 -54.054 1.00 65.35 C ATOM 1349 CE1 PHE A 90 24.244 3.654 -52.089 1.00 45.43 C ATOM 1350 CE2 PHE A 90 23.429 3.553 -54.335 1.00 31.34 C ATOM 1351 CZ PHE A 90 24.284 3.095 -53.352 1.00 1.02 C ATOM 0 H PHE A 90 19.553 7.727 -52.275 1.00 74.20 H new ATOM 0 HA PHE A 90 19.823 4.925 -52.580 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.346 6.827 -53.396 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.961 6.920 -51.758 1.00 64.23 H new ATOM 0 HD1 PHE A 90 23.321 5.105 -50.826 1.00 30.42 H new ATOM 0 HD2 PHE A 90 21.871 4.926 -54.827 1.00 65.35 H new ATOM 0 HE1 PHE A 90 24.910 3.297 -51.318 1.00 45.43 H new ATOM 0 HE2 PHE A 90 23.457 3.116 -55.322 1.00 31.34 H new ATOM 0 HZ PHE A 90 24.983 2.301 -53.570 1.00 1.02 H new ATOM 1361 N GLY A 91 20.103 3.944 -50.338 1.00 12.51 N ATOM 1362 CA GLY A 91 20.228 3.354 -49.018 1.00 14.41 C ATOM 1363 C GLY A 91 19.430 4.103 -47.970 1.00 73.13 C ATOM 1364 O GLY A 91 19.927 4.372 -46.876 1.00 4.35 O ATOM 0 H GLY A 91 19.831 3.293 -51.075 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.892 2.318 -49.054 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.279 3.339 -48.728 1.00 14.41 H new ATOM 1368 N ALA A 92 18.190 4.444 -48.304 1.00 4.24 N ATOM 1369 CA ALA A 92 17.322 5.168 -47.383 1.00 70.22 C ATOM 1370 C ALA A 92 16.171 4.288 -46.908 1.00 24.25 C ATOM 1371 O ALA A 92 15.427 3.730 -47.715 1.00 13.15 O ATOM 1372 CB ALA A 92 16.787 6.429 -48.043 1.00 0.13 C ATOM 0 H ALA A 92 17.764 4.231 -49.206 1.00 4.24 H new ATOM 0 HA ALA A 92 17.913 5.450 -46.512 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.141 6.959 -47.344 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.620 7.072 -48.327 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.217 6.160 -48.932 1.00 0.13 H new ATOM 1378 N THR A 93 16.029 4.166 -45.592 1.00 45.11 N ATOM 1379 CA THR A 93 14.970 3.352 -45.009 1.00 43.04 C ATOM 1380 C THR A 93 13.970 4.215 -44.247 1.00 51.13 C ATOM 1381 O THR A 93 14.332 5.239 -43.670 1.00 12.44 O ATOM 1382 CB THR A 93 15.541 2.285 -44.056 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.882 1.958 -44.435 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.683 1.029 -44.075 1.00 75.11 C ATOM 0 H THR A 93 16.635 4.621 -44.909 1.00 45.11 H new ATOM 0 HA THR A 93 14.462 2.855 -45.836 1.00 43.04 H new ATOM 0 HB THR A 93 15.539 2.693 -43.045 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.239 1.280 -43.823 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.105 0.290 -43.395 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.670 1.276 -43.759 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.658 0.620 -45.085 1.00 75.11 H new ATOM 1392 N GLY A 94 12.709 3.792 -44.248 1.00 64.34 N ATOM 1393 CA GLY A 94 11.677 4.538 -43.552 1.00 73.52 C ATOM 1394 C GLY A 94 12.008 4.761 -42.090 1.00 11.42 C ATOM 1395 O GLY A 94 11.502 5.694 -41.465 1.00 75.13 O ATOM 0 H GLY A 94 12.384 2.947 -44.718 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.538 5.502 -44.041 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.731 4.002 -43.629 1.00 73.52 H new ATOM 1399 N THR A 95 12.860 3.901 -41.539 1.00 3.02 N ATOM 1400 CA THR A 95 13.256 4.006 -40.141 1.00 45.00 C ATOM 1401 C THR A 95 14.219 5.168 -39.928 1.00 1.41 C ATOM 1402 O THR A 95 14.640 5.439 -38.804 1.00 53.40 O ATOM 1403 CB THR A 95 13.919 2.707 -39.646 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.221 2.569 -40.226 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.069 1.496 -40.001 1.00 23.25 C ATOM 0 H THR A 95 13.289 3.124 -42.041 1.00 3.02 H new ATOM 0 HA THR A 95 12.346 4.182 -39.567 1.00 45.00 H new ATOM 0 HB THR A 95 14.009 2.762 -38.561 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.636 1.741 -39.905 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.558 0.590 -39.641 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.089 1.590 -39.533 1.00 23.25 H new ATOM 0 HG23 THR A 95 12.951 1.439 -41.083 1.00 23.25 H new ATOM 1413 N SER A 96 14.563 5.852 -41.015 1.00 4.44 N ATOM 1414 CA SER A 96 15.479 6.984 -40.947 1.00 60.11 C ATOM 1415 C SER A 96 14.721 8.283 -40.691 1.00 71.41 C ATOM 1416 O SER A 96 15.317 9.307 -40.357 1.00 10.54 O ATOM 1417 CB SER A 96 16.282 7.096 -42.244 1.00 33.34 C ATOM 1418 OG SER A 96 17.354 8.013 -42.104 1.00 54.01 O ATOM 0 H SER A 96 14.221 5.642 -41.953 1.00 4.44 H new ATOM 0 HA SER A 96 16.165 6.815 -40.117 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.672 6.116 -42.520 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.627 7.418 -43.054 1.00 33.34 H new ATOM 0 HG SER A 96 17.070 8.766 -41.545 1.00 54.01 H new ATOM 1424 N ARG A 97 13.402 8.232 -40.851 1.00 14.14 N ATOM 1425 CA ARG A 97 12.561 9.404 -40.639 1.00 44.44 C ATOM 1426 C ARG A 97 11.250 9.016 -39.961 1.00 41.24 C ATOM 1427 O ARG A 97 10.914 7.835 -39.865 1.00 64.24 O ATOM 1428 CB ARG A 97 12.273 10.099 -41.971 1.00 70.20 C ATOM 1429 CG ARG A 97 13.515 10.340 -42.813 1.00 33.41 C ATOM 1430 CD ARG A 97 13.166 10.965 -44.155 1.00 21.13 C ATOM 1431 NE ARG A 97 14.309 10.987 -45.063 1.00 44.32 N ATOM 1432 CZ ARG A 97 14.210 11.235 -46.364 1.00 45.23 C ATOM 1433 NH1 ARG A 97 13.025 11.482 -46.906 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 15.296 11.238 -47.125 1.00 33.05 N ATOM 0 H ARG A 97 12.893 7.392 -41.127 1.00 14.14 H new ATOM 0 HA ARG A 97 13.098 10.093 -39.987 1.00 44.44 H new ATOM 0 HB2 ARG A 97 11.569 9.494 -42.542 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.786 11.054 -41.775 1.00 70.20 H new ATOM 0 HG2 ARG A 97 14.200 10.993 -42.273 1.00 33.41 H new ATOM 0 HG3 ARG A 97 14.035 9.396 -42.974 1.00 33.41 H new ATOM 0 HD2 ARG A 97 12.350 10.407 -44.613 1.00 21.13 H new ATOM 0 HD3 ARG A 97 12.808 11.983 -43.999 1.00 21.13 H new ATOM 0 HE ARG A 97 15.235 10.802 -44.677 1.00 44.32 H new ATOM 0 HH11 ARG A 97 12.188 11.482 -46.323 1.00 54.10 H new ATOM 0 HH12 ARG A 97 12.951 11.672 -47.905 1.00 54.10 H new ATOM 0 HH21 ARG A 97 16.209 11.050 -46.711 1.00 33.05 H new ATOM 0 HH22 ARG A 97 15.218 11.429 -48.124 1.00 33.05 H new ATOM 1448 N LEU A 98 10.515 10.018 -39.492 1.00 2.12 N ATOM 1449 CA LEU A 98 9.240 9.783 -38.822 1.00 73.45 C ATOM 1450 C LEU A 98 9.419 8.862 -37.619 1.00 21.34 C ATOM 1451 O LEU A 98 8.639 7.933 -37.413 1.00 13.34 O ATOM 1452 CB LEU A 98 8.233 9.174 -39.799 1.00 23.22 C ATOM 1453 CG LEU A 98 7.556 10.151 -40.761 1.00 64.21 C ATOM 1454 CD1 LEU A 98 6.825 11.239 -39.990 1.00 54.22 C ATOM 1455 CD2 LEU A 98 8.579 10.762 -41.708 1.00 44.21 C ATOM 0 H LEU A 98 10.779 11.001 -39.563 1.00 2.12 H new ATOM 0 HA LEU A 98 8.861 10.742 -38.469 1.00 73.45 H new ATOM 0 HB2 LEU A 98 8.743 8.411 -40.387 1.00 23.22 H new ATOM 0 HB3 LEU A 98 7.459 8.667 -39.223 1.00 23.22 H new ATOM 0 HG LEU A 98 6.825 9.600 -41.353 1.00 64.21 H new ATOM 0 HD11 LEU A 98 6.349 11.925 -40.691 1.00 54.22 H new ATOM 0 HD12 LEU A 98 6.065 10.786 -39.354 1.00 54.22 H new ATOM 0 HD13 LEU A 98 7.536 11.787 -39.372 1.00 54.22 H new ATOM 0 HD21 LEU A 98 8.080 11.455 -42.385 1.00 44.21 H new ATOM 0 HD22 LEU A 98 9.333 11.298 -41.132 1.00 44.21 H new ATOM 0 HD23 LEU A 98 9.058 9.971 -42.286 1.00 44.21 H new ATOM 1467 N GLY A 99 10.452 9.128 -36.824 1.00 65.55 N ATOM 1468 CA GLY A 99 10.713 8.316 -35.650 1.00 71.01 C ATOM 1469 C GLY A 99 11.391 9.099 -34.543 1.00 52.33 C ATOM 1470 O GLY A 99 12.547 9.501 -34.675 1.00 62.04 O ATOM 0 H GLY A 99 11.112 9.891 -36.973 1.00 65.55 H new ATOM 0 HA2 GLY A 99 9.773 7.907 -35.279 1.00 71.01 H new ATOM 0 HA3 GLY A 99 11.341 7.470 -35.929 1.00 71.01 H new ATOM 1474 N CYS A 100 10.670 9.318 -33.449 1.00 23.20 N ATOM 1475 CA CYS A 100 11.207 10.060 -32.315 1.00 42.23 C ATOM 1476 C CYS A 100 10.370 9.818 -31.061 1.00 61.43 C ATOM 1477 O CYS A 100 9.198 9.455 -31.147 1.00 22.54 O ATOM 1478 CB CYS A 100 11.251 11.556 -32.631 1.00 12.14 C ATOM 1479 SG CYS A 100 12.355 12.514 -31.545 1.00 33.11 S ATOM 0 H CYS A 100 9.712 8.992 -33.324 1.00 23.20 H new ATOM 0 HA CYS A 100 12.221 9.705 -32.129 1.00 42.23 H new ATOM 0 HB2 CYS A 100 11.571 11.689 -33.664 1.00 12.14 H new ATOM 0 HB3 CYS A 100 10.242 11.962 -32.555 1.00 12.14 H new ATOM 0 HG CYS A 100 12.025 13.771 -31.591 1.00 33.11 H new ATOM 1484 N GLN A 101 10.982 10.023 -29.899 1.00 51.23 N ATOM 1485 CA GLN A 101 10.294 9.827 -28.629 1.00 32.50 C ATOM 1486 C GLN A 101 11.130 10.359 -27.469 1.00 24.44 C ATOM 1487 O GLN A 101 12.228 10.880 -27.669 1.00 62.34 O ATOM 1488 CB GLN A 101 9.987 8.344 -28.415 1.00 54.33 C ATOM 1489 CG GLN A 101 8.565 8.078 -27.946 1.00 51.15 C ATOM 1490 CD GLN A 101 7.525 8.679 -28.870 1.00 64.22 C ATOM 1491 OE1 GLN A 101 7.115 9.828 -28.700 1.00 14.41 O ATOM 1492 NE2 GLN A 101 7.090 7.903 -29.857 1.00 64.44 N ATOM 0 H GLN A 101 11.952 10.325 -29.811 1.00 51.23 H new ATOM 0 HA GLN A 101 9.357 10.383 -28.662 1.00 32.50 H new ATOM 0 HB2 GLN A 101 10.159 7.808 -29.348 1.00 54.33 H new ATOM 0 HB3 GLN A 101 10.684 7.939 -27.681 1.00 54.33 H new ATOM 0 HG2 GLN A 101 8.405 7.002 -27.876 1.00 51.15 H new ATOM 0 HG3 GLN A 101 8.435 8.486 -26.944 1.00 51.15 H new ATOM 0 HE21 GLN A 101 7.457 6.957 -29.961 1.00 64.44 H new ATOM 0 HE22 GLN A 101 6.389 8.253 -30.510 1.00 64.44 H new ATOM 1501 N LEU A 102 10.603 10.224 -26.257 1.00 65.25 N ATOM 1502 CA LEU A 102 11.301 10.691 -25.064 1.00 63.32 C ATOM 1503 C LEU A 102 11.146 9.697 -23.918 1.00 43.03 C ATOM 1504 O LEU A 102 12.129 9.146 -23.423 1.00 43.45 O ATOM 1505 CB LEU A 102 10.768 12.061 -24.641 1.00 54.24 C ATOM 1506 CG LEU A 102 10.414 13.023 -25.776 1.00 12.13 C ATOM 1507 CD1 LEU A 102 9.650 14.223 -25.239 1.00 65.13 C ATOM 1508 CD2 LEU A 102 11.671 13.472 -26.507 1.00 5.14 C ATOM 0 H LEU A 102 9.696 9.795 -26.074 1.00 65.25 H new ATOM 0 HA LEU A 102 12.361 10.778 -25.304 1.00 63.32 H new ATOM 0 HB2 LEU A 102 9.879 11.910 -24.029 1.00 54.24 H new ATOM 0 HB3 LEU A 102 11.514 12.539 -24.006 1.00 54.24 H new ATOM 0 HG LEU A 102 9.774 12.498 -26.485 1.00 12.13 H new ATOM 0 HD11 LEU A 102 9.407 14.897 -26.061 1.00 65.13 H new ATOM 0 HD12 LEU A 102 8.730 13.885 -24.762 1.00 65.13 H new ATOM 0 HD13 LEU A 102 10.265 14.749 -24.509 1.00 65.13 H new ATOM 0 HD21 LEU A 102 11.400 14.156 -27.311 1.00 5.14 H new ATOM 0 HD22 LEU A 102 12.337 13.979 -25.808 1.00 5.14 H new ATOM 0 HD23 LEU A 102 12.178 12.603 -26.926 1.00 5.14 H new ATOM 1520 N ARG A 103 9.904 9.470 -23.502 1.00 52.25 N ATOM 1521 CA ARG A 103 9.620 8.541 -22.415 1.00 12.23 C ATOM 1522 C ARG A 103 10.114 7.138 -22.756 1.00 22.20 C ATOM 1523 O ARG A 103 10.307 6.803 -23.925 1.00 3.34 O ATOM 1524 CB ARG A 103 8.118 8.507 -22.124 1.00 33.05 C ATOM 1525 CG ARG A 103 7.680 9.506 -21.066 1.00 62.04 C ATOM 1526 CD ARG A 103 6.715 8.878 -20.073 1.00 70.21 C ATOM 1527 NE ARG A 103 5.323 9.172 -20.402 1.00 53.42 N ATOM 1528 CZ ARG A 103 4.326 9.084 -19.527 1.00 21.50 C ATOM 1529 NH1 ARG A 103 4.568 8.713 -18.278 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 3.086 9.367 -19.903 1.00 43.51 N ATOM 0 H ARG A 103 9.079 9.917 -23.901 1.00 52.25 H new ATOM 0 HA ARG A 103 10.148 8.888 -21.527 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.573 8.706 -23.047 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.842 7.503 -21.800 1.00 33.05 H new ATOM 0 HG2 ARG A 103 8.555 9.884 -20.536 1.00 62.04 H new ATOM 0 HG3 ARG A 103 7.204 10.361 -21.546 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.863 7.798 -20.057 1.00 70.21 H new ATOM 0 HD3 ARG A 103 6.936 9.245 -19.071 1.00 70.21 H new ATOM 0 HE ARG A 103 5.104 9.461 -21.355 1.00 53.42 H new ATOM 0 HH11 ARG A 103 5.521 8.494 -17.986 1.00 52.01 H new ATOM 0 HH12 ARG A 103 3.802 8.646 -17.608 1.00 52.01 H new ATOM 0 HH21 ARG A 103 2.897 9.652 -20.864 1.00 43.51 H new ATOM 0 HH22 ARG A 103 2.321 9.299 -19.231 1.00 43.51 H new ATOM 1544 N VAL A 104 10.319 6.322 -21.726 1.00 21.01 N ATOM 1545 CA VAL A 104 10.791 4.956 -21.916 1.00 23.15 C ATOM 1546 C VAL A 104 9.689 3.947 -21.611 1.00 51.50 C ATOM 1547 O VAL A 104 8.988 4.063 -20.606 1.00 20.41 O ATOM 1548 CB VAL A 104 12.010 4.654 -21.024 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.466 3.216 -21.213 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.142 5.625 -21.323 1.00 72.24 C ATOM 0 H VAL A 104 10.165 6.584 -20.752 1.00 21.01 H new ATOM 0 HA VAL A 104 11.084 4.865 -22.962 1.00 23.15 H new ATOM 0 HB VAL A 104 11.717 4.783 -19.982 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.328 3.021 -20.575 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.655 2.539 -20.945 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.742 3.056 -22.255 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.995 5.397 -20.684 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.436 5.530 -22.368 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.807 6.644 -21.131 1.00 72.24 H new ATOM 1560 N ASP A 105 9.543 2.957 -22.484 1.00 71.13 N ATOM 1561 CA ASP A 105 8.528 1.925 -22.308 1.00 40.04 C ATOM 1562 C ASP A 105 9.099 0.543 -22.611 1.00 72.04 C ATOM 1563 O ASP A 105 10.211 0.418 -23.124 1.00 10.30 O ATOM 1564 CB ASP A 105 7.325 2.203 -23.211 1.00 44.20 C ATOM 1565 CG ASP A 105 7.730 2.468 -24.648 1.00 65.14 C ATOM 1566 OD1 ASP A 105 8.062 1.497 -25.360 1.00 23.23 O ATOM 1567 OD2 ASP A 105 7.713 3.646 -25.061 1.00 33.31 O1- ATOM 0 H ASP A 105 10.115 2.847 -23.321 1.00 71.13 H new ATOM 0 HA ASP A 105 8.203 1.944 -21.268 1.00 40.04 H new ATOM 0 HB2 ASP A 105 6.646 1.351 -23.179 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.776 3.063 -22.826 1.00 44.20 H new ATOM 1572 N LYS A 106 8.330 -0.492 -22.289 1.00 24.41 N ATOM 1573 CA LYS A 106 8.758 -1.866 -22.527 1.00 72.51 C ATOM 1574 C LYS A 106 9.034 -2.101 -24.008 1.00 64.01 C ATOM 1575 O LYS A 106 9.928 -2.866 -24.369 1.00 34.22 O ATOM 1576 CB LYS A 106 7.692 -2.846 -22.033 1.00 13.33 C ATOM 1577 CG LYS A 106 8.223 -4.246 -21.780 1.00 33.41 C ATOM 1578 CD LYS A 106 7.117 -5.193 -21.346 1.00 30.24 C ATOM 1579 CE LYS A 106 7.489 -6.644 -21.610 1.00 13.42 C ATOM 1580 NZ LYS A 106 7.478 -6.964 -23.064 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.407 -0.406 -21.863 1.00 24.41 H new ATOM 0 HA LYS A 106 9.682 -2.034 -21.973 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.255 -2.460 -21.112 1.00 13.33 H new ATOM 0 HB3 LYS A 106 6.890 -2.898 -22.769 1.00 13.33 H new ATOM 0 HG2 LYS A 106 8.694 -4.627 -22.686 1.00 33.41 H new ATOM 0 HG3 LYS A 106 8.995 -4.210 -21.011 1.00 33.41 H new ATOM 0 HD2 LYS A 106 6.915 -5.056 -20.284 1.00 30.24 H new ATOM 0 HD3 LYS A 106 6.198 -4.949 -21.879 1.00 30.24 H new ATOM 0 HE2 LYS A 106 8.479 -6.845 -21.201 1.00 13.42 H new ATOM 0 HE3 LYS A 106 6.790 -7.299 -21.089 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 7.432 -7.995 -23.192 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 6.649 -6.522 -23.510 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 8.345 -6.599 -23.506 1.00 24.12 H new ATOM 1594 N SER A 107 8.261 -1.438 -24.862 1.00 1.32 N ATOM 1595 CA SER A 107 8.421 -1.577 -26.305 1.00 32.25 C ATOM 1596 C SER A 107 9.782 -1.054 -26.754 1.00 64.51 C ATOM 1597 O SER A 107 10.269 -1.400 -27.831 1.00 35.32 O ATOM 1598 CB SER A 107 7.306 -0.828 -27.038 1.00 25.21 C ATOM 1599 OG SER A 107 6.769 -1.612 -28.088 1.00 60.12 O ATOM 0 H SER A 107 7.518 -0.799 -24.580 1.00 1.32 H new ATOM 0 HA SER A 107 8.360 -2.637 -26.552 1.00 32.25 H new ATOM 0 HB2 SER A 107 6.516 -0.567 -26.334 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.696 0.107 -27.441 1.00 25.21 H new ATOM 0 HG SER A 107 6.058 -1.111 -28.539 1.00 60.12 H new ATOM 1605 N PHE A 108 10.391 -0.218 -25.920 1.00 54.12 N ATOM 1606 CA PHE A 108 11.696 0.356 -26.230 1.00 31.34 C ATOM 1607 C PHE A 108 12.819 -0.565 -25.762 1.00 52.43 C ATOM 1608 O PHE A 108 13.995 -0.206 -25.822 1.00 20.31 O ATOM 1609 CB PHE A 108 11.841 1.730 -25.575 1.00 33.33 C ATOM 1610 CG PHE A 108 11.321 2.856 -26.422 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.017 4.051 -26.514 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.135 2.720 -27.125 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.540 5.089 -27.293 1.00 64.01 C ATOM 1614 CE2 PHE A 108 9.654 3.754 -27.906 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.357 4.941 -27.989 1.00 71.21 C ATOM 0 H PHE A 108 10.002 0.077 -25.024 1.00 54.12 H new ATOM 0 HA PHE A 108 11.769 0.468 -27.312 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.311 1.727 -24.623 1.00 33.33 H new ATOM 0 HB3 PHE A 108 12.893 1.909 -25.353 1.00 33.33 H new ATOM 0 HD1 PHE A 108 12.943 4.173 -25.971 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.580 1.796 -27.062 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.092 6.015 -27.357 1.00 64.01 H new ATOM 0 HE2 PHE A 108 8.729 3.634 -28.451 1.00 0.32 H new ATOM 0 HZ PHE A 108 9.982 5.751 -28.597 1.00 71.21 H new ATOM 1625 N GLU A 109 12.447 -1.753 -25.296 1.00 45.42 N ATOM 1626 CA GLU A 109 13.424 -2.724 -24.816 1.00 14.13 C ATOM 1627 C GLU A 109 14.428 -3.072 -25.911 1.00 53.04 C ATOM 1628 O GLU A 109 14.050 -3.492 -27.003 1.00 0.14 O ATOM 1629 CB GLU A 109 12.718 -3.993 -24.333 1.00 15.44 C ATOM 1630 CG GLU A 109 13.644 -4.977 -23.637 1.00 21.13 C ATOM 1631 CD GLU A 109 12.897 -6.135 -23.006 1.00 40.23 C ATOM 1632 OE1 GLU A 109 13.250 -7.297 -23.297 1.00 23.25 O ATOM 1633 OE2 GLU A 109 11.959 -5.880 -22.221 1.00 62.22 O1- ATOM 0 H GLU A 109 11.478 -2.066 -25.241 1.00 45.42 H new ATOM 0 HA GLU A 109 13.964 -2.277 -23.981 1.00 14.13 H new ATOM 0 HB2 GLU A 109 11.917 -3.715 -23.649 1.00 15.44 H new ATOM 0 HB3 GLU A 109 12.252 -4.486 -25.186 1.00 15.44 H new ATOM 0 HG2 GLU A 109 14.365 -5.364 -24.358 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.212 -4.454 -22.868 1.00 21.13 H new ATOM 1640 N ASN A 110 15.710 -2.894 -25.608 1.00 40.22 N ATOM 1641 CA ASN A 110 16.769 -3.188 -26.567 1.00 12.52 C ATOM 1642 C ASN A 110 16.614 -2.341 -27.826 1.00 14.11 C ATOM 1643 O ASN A 110 17.087 -2.714 -28.899 1.00 14.41 O ATOM 1644 CB ASN A 110 16.757 -4.674 -26.932 1.00 53.45 C ATOM 1645 CG ASN A 110 17.597 -5.509 -25.986 1.00 14.25 C ATOM 1646 OD1 ASN A 110 18.487 -4.994 -25.309 1.00 53.03 O ATOM 1647 ND2 ASN A 110 17.319 -6.806 -25.936 1.00 13.04 N ATOM 0 H ASN A 110 16.040 -2.548 -24.707 1.00 40.22 H new ATOM 0 HA ASN A 110 17.724 -2.943 -26.102 1.00 12.52 H new ATOM 0 HB2 ASN A 110 15.730 -5.040 -26.921 1.00 53.45 H new ATOM 0 HB3 ASN A 110 17.128 -4.798 -27.949 1.00 53.45 H new ATOM 0 HD21 ASN A 110 17.852 -7.418 -25.319 1.00 13.04 H new ATOM 0 HD22 ASN A 110 16.572 -7.190 -26.515 1.00 13.04 H new ATOM 1654 N ALA A 111 15.947 -1.200 -27.687 1.00 11.53 N ATOM 1655 CA ALA A 111 15.732 -0.299 -28.812 1.00 33.33 C ATOM 1656 C ALA A 111 17.042 0.332 -29.269 1.00 12.12 C ATOM 1657 O ALA A 111 17.774 0.917 -28.470 1.00 32.25 O ATOM 1658 CB ALA A 111 14.726 0.780 -28.439 1.00 12.32 C ATOM 0 H ALA A 111 15.546 -0.878 -26.806 1.00 11.53 H new ATOM 0 HA ALA A 111 15.332 -0.883 -29.641 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.575 1.446 -29.289 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.778 0.316 -28.169 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.104 1.353 -27.592 1.00 12.32 H new ATOM 1664 N VAL A 112 17.334 0.209 -30.560 1.00 73.01 N ATOM 1665 CA VAL A 112 18.557 0.768 -31.124 1.00 70.21 C ATOM 1666 C VAL A 112 18.284 2.095 -31.824 1.00 23.10 C ATOM 1667 O VAL A 112 17.480 2.164 -32.754 1.00 15.11 O ATOM 1668 CB VAL A 112 19.209 -0.203 -32.126 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.539 0.348 -32.617 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.391 -1.576 -31.495 1.00 42.04 C ATOM 0 H VAL A 112 16.740 -0.273 -31.235 1.00 73.01 H new ATOM 0 HA VAL A 112 19.241 0.933 -30.292 1.00 70.21 H new ATOM 0 HB VAL A 112 18.548 -0.308 -32.986 1.00 32.45 H new ATOM 0 HG11 VAL A 112 20.984 -0.352 -33.324 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.376 1.307 -33.109 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.211 0.485 -31.770 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.853 -2.250 -32.217 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.031 -1.491 -30.617 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.420 -1.972 -31.199 1.00 42.04 H new ATOM 1680 N PHE A 113 18.958 3.146 -31.370 1.00 22.12 N ATOM 1681 CA PHE A 113 18.788 4.473 -31.953 1.00 61.43 C ATOM 1682 C PHE A 113 20.053 4.912 -32.684 1.00 43.11 C ATOM 1683 O PHE A 113 21.037 5.313 -32.061 1.00 11.30 O ATOM 1684 CB PHE A 113 18.435 5.489 -30.865 1.00 14.33 C ATOM 1685 CG PHE A 113 17.260 5.081 -30.022 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.419 4.190 -28.973 1.00 12.52 C ATOM 1687 CD2 PHE A 113 15.996 5.588 -30.280 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.340 3.813 -28.195 1.00 3.02 C ATOM 1689 CE2 PHE A 113 14.914 5.215 -29.505 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.086 4.326 -28.463 1.00 54.32 C ATOM 0 H PHE A 113 19.627 3.106 -30.601 1.00 22.12 H new ATOM 0 HA PHE A 113 17.972 4.424 -32.674 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.302 5.635 -30.220 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.220 6.450 -31.332 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.397 3.785 -28.760 1.00 12.52 H new ATOM 0 HD2 PHE A 113 15.855 6.282 -31.095 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.477 3.119 -27.379 1.00 3.02 H new ATOM 0 HE2 PHE A 113 13.935 5.619 -29.715 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.241 4.032 -27.858 1.00 54.32 H new ATOM 1700 N THR A 114 20.020 4.834 -34.010 1.00 30.22 N ATOM 1701 CA THR A 114 21.163 5.221 -34.827 1.00 45.33 C ATOM 1702 C THR A 114 21.022 6.655 -35.325 1.00 52.03 C ATOM 1703 O THR A 114 20.074 6.985 -36.038 1.00 43.22 O ATOM 1704 CB THR A 114 21.332 4.284 -36.038 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.669 2.965 -35.593 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.414 4.800 -36.975 1.00 73.44 C ATOM 0 H THR A 114 19.214 4.506 -34.542 1.00 30.22 H new ATOM 0 HA THR A 114 22.045 5.144 -34.192 1.00 45.33 H new ATOM 0 HB THR A 114 20.387 4.254 -36.581 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.076 2.313 -36.022 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.515 4.122 -37.822 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.141 5.792 -37.335 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.362 4.856 -36.440 1.00 73.44 H new ATOM 1714 N VAL A 115 21.972 7.505 -34.946 1.00 21.22 N ATOM 1715 CA VAL A 115 21.954 8.904 -35.356 1.00 72.13 C ATOM 1716 C VAL A 115 23.050 9.191 -36.377 1.00 32.00 C ATOM 1717 O VAL A 115 24.171 9.566 -36.032 1.00 71.13 O ATOM 1718 CB VAL A 115 22.133 9.844 -34.149 1.00 34.51 C ATOM 1719 CG1 VAL A 115 21.889 11.289 -34.558 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.203 9.438 -33.016 1.00 0.35 C ATOM 0 H VAL A 115 22.763 7.249 -34.356 1.00 21.22 H new ATOM 0 HA VAL A 115 20.981 9.089 -35.810 1.00 72.13 H new ATOM 0 HB VAL A 115 23.160 9.760 -33.793 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.020 11.939 -33.693 1.00 32.02 H new ATOM 0 HG12 VAL A 115 22.599 11.572 -35.335 1.00 32.02 H new ATOM 0 HG13 VAL A 115 20.873 11.393 -34.939 1.00 32.02 H new ATOM 0 HG21 VAL A 115 21.343 10.113 -32.171 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.169 9.492 -33.357 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.430 8.418 -32.707 1.00 0.35 H new ATOM 1730 N PRO A 116 22.720 9.013 -37.665 1.00 23.44 N ATOM 1731 CA PRO A 116 23.661 9.248 -38.763 1.00 12.20 C ATOM 1732 C PRO A 116 23.978 10.728 -38.947 1.00 62.14 C ATOM 1733 O PRO A 116 25.097 11.093 -39.309 1.00 15.32 O ATOM 1734 CB PRO A 116 22.922 8.703 -39.987 1.00 2.12 C ATOM 1735 CG PRO A 116 21.479 8.798 -39.632 1.00 24.01 C ATOM 1736 CD PRO A 116 21.402 8.568 -38.148 1.00 65.44 C ATOM 0 HA PRO A 116 24.624 8.771 -38.583 1.00 12.20 H new ATOM 0 HB2 PRO A 116 23.149 9.287 -40.879 1.00 2.12 H new ATOM 0 HB3 PRO A 116 23.211 7.673 -40.198 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.075 9.775 -39.897 1.00 24.01 H new ATOM 0 HG3 PRO A 116 20.894 8.054 -40.173 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.593 9.141 -37.694 1.00 65.44 H new ATOM 0 HD3 PRO A 116 21.221 7.519 -37.913 1.00 65.44 H new ATOM 1744 N ARG A 117 22.987 11.577 -38.696 1.00 4.04 N ATOM 1745 CA ARG A 117 23.160 13.018 -38.836 1.00 23.33 C ATOM 1746 C ARG A 117 23.947 13.587 -37.659 1.00 72.14 C ATOM 1747 O ARG A 117 23.863 13.081 -36.540 1.00 53.20 O ATOM 1748 CB ARG A 117 21.800 13.709 -38.936 1.00 24.40 C ATOM 1749 CG ARG A 117 21.885 15.227 -38.910 1.00 3.30 C ATOM 1750 CD ARG A 117 22.609 15.765 -40.134 1.00 34.14 C ATOM 1751 NE ARG A 117 23.036 17.150 -39.953 1.00 31.52 N ATOM 1752 CZ ARG A 117 23.395 17.945 -40.954 1.00 33.23 C ATOM 1753 NH1 ARG A 117 23.379 17.495 -42.201 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 23.772 19.194 -40.709 1.00 55.12 N ATOM 0 H ARG A 117 22.055 11.292 -38.394 1.00 4.04 H new ATOM 0 HA ARG A 117 23.722 13.204 -39.751 1.00 23.33 H new ATOM 0 HB2 ARG A 117 21.310 13.397 -39.858 1.00 24.40 H new ATOM 0 HB3 ARG A 117 21.170 13.375 -38.111 1.00 24.40 H new ATOM 0 HG2 ARG A 117 20.881 15.648 -38.866 1.00 3.30 H new ATOM 0 HG3 ARG A 117 22.405 15.548 -38.008 1.00 3.30 H new ATOM 0 HD2 ARG A 117 23.479 15.142 -40.344 1.00 34.14 H new ATOM 0 HD3 ARG A 117 21.953 15.699 -41.002 1.00 34.14 H new ATOM 0 HE ARG A 117 23.060 17.527 -39.006 1.00 31.52 H new ATOM 0 HH11 ARG A 117 23.090 16.536 -42.393 1.00 32.32 H new ATOM 0 HH12 ARG A 117 23.655 18.108 -42.968 1.00 32.32 H new ATOM 0 HH21 ARG A 117 23.786 19.544 -39.751 1.00 55.12 H new ATOM 0 HH22 ARG A 117 24.048 19.804 -41.479 1.00 55.12 H new