USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=18 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 -110:sc= 0.598 USER MOD Set 1.2: A 100 CYS SG : rot 2:sc= 0.627 USER MOD Single : A 17 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.39) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -69:sc= 1.76 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= -0.128 (180deg=-0.686) USER MOD Single : A 27 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -157:sc= -0.0395 (180deg=-0.299) USER MOD Single : A 35 CYS SG : rot 37:sc= 0.0624 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : A 64 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.3) USER MOD Single : A 72 TYR OH : rot -150:sc= 0.73 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 81 LYS NZ :NH3+ -120:sc=-0.00801 (180deg=-0.319) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.402 X(o=-0.4,f=0) 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 -29:sc= 0.177 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -166:sc= -0.0958 (180deg=-0.492) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.0367 K(o=-0.037,f=-0.62) USER MOD Single : A 114 THR OG1 : rot -170:sc= -0.998 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 1.269 4.053 -15.535 1.00 62.40 N ATOM 154 CA ARG A 13 1.912 2.822 -15.092 1.00 13.43 C ATOM 155 C ARG A 13 3.017 2.407 -16.060 1.00 51.13 C ATOM 156 O ARG A 13 2.753 2.099 -17.222 1.00 65.25 O ATOM 157 CB ARG A 13 0.881 1.699 -14.966 1.00 71.33 C ATOM 158 CG ARG A 13 0.139 1.700 -13.639 1.00 64.41 C ATOM 159 CD ARG A 13 -0.346 0.306 -13.273 1.00 64.44 C ATOM 160 NE ARG A 13 0.759 -0.638 -13.127 1.00 53.53 N ATOM 161 CZ ARG A 13 0.618 -1.866 -12.639 1.00 72.45 C ATOM 162 NH1 ARG A 13 -0.575 -2.296 -12.252 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 1.671 -2.665 -12.537 1.00 74.21 N ATOM 0 HA ARG A 13 2.359 3.006 -14.115 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.158 1.788 -15.777 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.384 0.740 -15.091 1.00 71.33 H new ATOM 0 HG2 ARG A 13 0.795 2.076 -12.854 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -0.712 2.379 -13.697 1.00 64.41 H new ATOM 0 HD2 ARG A 13 -0.909 0.351 -12.341 1.00 64.44 H new ATOM 0 HD3 ARG A 13 -1.030 -0.053 -14.042 1.00 64.44 H new ATOM 0 HE ARG A 13 1.690 -0.338 -13.416 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -1.387 -1.684 -12.329 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -0.681 -3.239 -11.878 1.00 1.02 H new ATOM 0 HH21 ARG A 13 2.590 -2.337 -12.833 1.00 74.21 H new ATOM 0 HH22 ARG A 13 1.562 -3.607 -12.162 1.00 74.21 H new ATOM 177 N ILE A 14 4.253 2.402 -15.572 1.00 31.23 N ATOM 178 CA ILE A 14 5.396 2.025 -16.393 1.00 21.45 C ATOM 179 C ILE A 14 6.049 0.749 -15.873 1.00 33.43 C ATOM 180 O ILE A 14 6.300 0.593 -14.678 1.00 4.22 O ATOM 181 CB ILE A 14 6.451 3.147 -16.439 1.00 63.41 C ATOM 182 CG1 ILE A 14 5.828 4.441 -16.966 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.630 2.728 -17.304 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.574 5.687 -16.540 1.00 72.40 C ATOM 0 H ILE A 14 4.488 2.655 -14.612 1.00 31.23 H new ATOM 0 HA ILE A 14 5.018 1.852 -17.401 1.00 21.45 H new ATOM 0 HB ILE A 14 6.814 3.328 -15.427 1.00 63.41 H new ATOM 0 HG12 ILE A 14 5.794 4.402 -18.055 1.00 40.21 H new ATOM 0 HG13 ILE A 14 4.797 4.507 -16.617 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.367 3.530 -17.327 1.00 71.10 H new ATOM 0 HG22 ILE A 14 8.085 1.829 -16.888 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.284 2.524 -18.317 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.077 6.566 -16.949 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.585 5.750 -15.452 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.598 5.643 -16.912 1.00 72.40 H new ATOM 196 N PRO A 15 6.333 -0.187 -16.791 1.00 52.44 N ATOM 197 CA PRO A 15 6.962 -1.466 -16.450 1.00 71.33 C ATOM 198 C PRO A 15 8.418 -1.300 -16.027 1.00 44.54 C ATOM 199 O PRO A 15 8.947 -0.190 -16.017 1.00 21.35 O ATOM 200 CB PRO A 15 6.872 -2.265 -17.752 1.00 32.33 C ATOM 201 CG PRO A 15 6.805 -1.234 -18.825 1.00 35.51 C ATOM 202 CD PRO A 15 6.060 -0.069 -18.233 1.00 52.11 C ATOM 0 HA PRO A 15 6.472 -1.948 -15.604 1.00 71.33 H new ATOM 0 HB2 PRO A 15 7.739 -2.913 -17.879 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.990 -2.906 -17.763 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.804 -0.937 -19.144 1.00 35.51 H new ATOM 0 HG3 PRO A 15 6.291 -1.620 -19.705 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.416 0.881 -18.633 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.992 -0.125 -18.446 1.00 52.11 H new ATOM 210 N GLU A 16 9.058 -2.412 -15.677 1.00 24.10 N ATOM 211 CA GLU A 16 10.453 -2.388 -15.252 1.00 63.23 C ATOM 212 C GLU A 16 11.319 -1.652 -16.271 1.00 23.52 C ATOM 213 O GLU A 16 10.954 -1.533 -17.440 1.00 3.13 O ATOM 214 CB GLU A 16 10.975 -3.813 -15.058 1.00 12.45 C ATOM 215 CG GLU A 16 10.237 -4.589 -13.979 1.00 54.23 C ATOM 216 CD GLU A 16 10.176 -6.076 -14.269 1.00 62.22 C ATOM 217 OE1 GLU A 16 10.767 -6.856 -13.494 1.00 73.31 O ATOM 218 OE2 GLU A 16 9.538 -6.460 -15.270 1.00 11.13 O1- ATOM 0 H GLU A 16 8.633 -3.339 -15.679 1.00 24.10 H new ATOM 0 HA GLU A 16 10.508 -1.856 -14.302 1.00 63.23 H new ATOM 0 HB2 GLU A 16 10.894 -4.352 -16.002 1.00 12.45 H new ATOM 0 HB3 GLU A 16 12.034 -3.772 -14.804 1.00 12.45 H new ATOM 0 HG2 GLU A 16 10.730 -4.429 -13.020 1.00 54.23 H new ATOM 0 HG3 GLU A 16 9.224 -4.199 -13.885 1.00 54.23 H new ATOM 225 N GLN A 17 12.468 -1.160 -15.816 1.00 15.32 N ATOM 226 CA GLN A 17 13.385 -0.435 -16.688 1.00 43.30 C ATOM 227 C GLN A 17 14.099 -1.388 -17.640 1.00 14.04 C ATOM 228 O GLN A 17 14.400 -2.527 -17.284 1.00 32.12 O ATOM 229 CB GLN A 17 14.411 0.335 -15.855 1.00 2.54 C ATOM 230 CG GLN A 17 13.786 1.290 -14.850 1.00 15.05 C ATOM 231 CD GLN A 17 14.819 1.997 -13.995 1.00 5.52 C ATOM 232 OE1 GLN A 17 14.674 2.091 -12.777 1.00 25.01 O ATOM 233 NE2 GLN A 17 15.870 2.500 -14.633 1.00 30.14 N ATOM 0 H GLN A 17 12.785 -1.250 -14.851 1.00 15.32 H new ATOM 0 HA GLN A 17 12.802 0.271 -17.279 1.00 43.30 H new ATOM 0 HB2 GLN A 17 15.043 -0.377 -15.323 1.00 2.54 H new ATOM 0 HB3 GLN A 17 15.060 0.899 -16.524 1.00 2.54 H new ATOM 0 HG2 GLN A 17 13.191 2.032 -15.382 1.00 15.05 H new ATOM 0 HG3 GLN A 17 13.103 0.737 -14.205 1.00 15.05 H new ATOM 0 HE21 GLN A 17 15.949 2.398 -15.645 1.00 30.14 H new ATOM 0 HE22 GLN A 17 16.598 2.988 -14.111 1.00 30.14 H new ATOM 242 N ILE A 18 14.366 -0.914 -18.853 1.00 24.21 N ATOM 243 CA ILE A 18 15.045 -1.725 -19.857 1.00 45.03 C ATOM 244 C ILE A 18 16.374 -1.098 -20.261 1.00 53.13 C ATOM 245 O ILE A 18 16.680 0.034 -19.884 1.00 34.14 O ATOM 246 CB ILE A 18 14.174 -1.910 -21.113 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.835 -0.552 -21.731 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.904 -2.675 -20.769 1.00 30.13 C ATOM 249 CD1 ILE A 18 14.631 -0.239 -22.978 1.00 51.52 C ATOM 0 H ILE A 18 14.123 0.026 -19.164 1.00 24.21 H new ATOM 0 HA ILE A 18 15.228 -2.700 -19.405 1.00 45.03 H new ATOM 0 HB ILE A 18 14.737 -2.490 -21.845 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.772 -0.527 -21.973 1.00 64.44 H new ATOM 0 HG13 ILE A 18 14.012 0.229 -20.991 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.299 -2.798 -21.667 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.166 -3.655 -20.371 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.336 -2.120 -20.022 1.00 30.13 H new ATOM 0 HD11 ILE A 18 14.338 0.739 -23.361 1.00 51.52 H new ATOM 0 HD12 ILE A 18 15.694 -0.231 -22.738 1.00 51.52 H new ATOM 0 HD13 ILE A 18 14.435 -0.999 -23.735 1.00 51.52 H new ATOM 261 N ARG A 19 17.161 -1.839 -21.033 1.00 71.23 N ATOM 262 CA ARG A 19 18.459 -1.356 -21.491 1.00 75.34 C ATOM 263 C ARG A 19 18.483 -1.220 -23.010 1.00 62.41 C ATOM 264 O ARG A 19 18.109 -2.145 -23.732 1.00 51.13 O ATOM 265 CB ARG A 19 19.570 -2.304 -21.035 1.00 70.32 C ATOM 266 CG ARG A 19 20.967 -1.730 -21.202 1.00 12.13 C ATOM 267 CD ARG A 19 21.421 -0.997 -19.950 1.00 72.31 C ATOM 268 NE ARG A 19 22.698 -1.502 -19.452 1.00 22.42 N ATOM 269 CZ ARG A 19 22.817 -2.601 -18.715 1.00 11.21 C ATOM 270 NH1 ARG A 19 21.741 -3.305 -18.391 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 24.014 -2.996 -18.300 1.00 23.13 N ATOM 0 H ARG A 19 16.923 -2.777 -21.355 1.00 71.23 H new ATOM 0 HA ARG A 19 18.628 -0.372 -21.053 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.413 -2.556 -19.986 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.498 -3.233 -21.601 1.00 70.32 H new ATOM 0 HG2 ARG A 19 21.667 -2.534 -21.428 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.982 -1.046 -22.051 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.512 0.067 -20.166 1.00 72.31 H new ATOM 0 HD3 ARG A 19 20.663 -1.101 -19.174 1.00 72.31 H new ATOM 0 HE ARG A 19 23.545 -0.982 -19.683 1.00 22.42 H new ATOM 0 HH11 ARG A 19 20.820 -3.003 -18.708 1.00 43.31 H new ATOM 0 HH12 ARG A 19 21.835 -4.148 -17.825 1.00 43.31 H new ATOM 0 HH21 ARG A 19 24.843 -2.456 -18.547 1.00 23.13 H new ATOM 0 HH22 ARG A 19 24.105 -3.840 -17.734 1.00 23.13 H new ATOM 285 N ILE A 20 18.925 -0.061 -23.487 1.00 35.55 N ATOM 286 CA ILE A 20 18.999 0.196 -24.920 1.00 64.45 C ATOM 287 C ILE A 20 20.440 0.429 -25.364 1.00 32.03 C ATOM 288 O ILE A 20 21.350 0.503 -24.539 1.00 53.21 O ATOM 289 CB ILE A 20 18.148 1.415 -25.318 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.442 2.595 -24.389 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.668 1.063 -25.283 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.490 3.928 -25.102 1.00 21.13 C ATOM 0 H ILE A 20 19.237 0.714 -22.902 1.00 35.55 H new ATOM 0 HA ILE A 20 18.606 -0.690 -25.420 1.00 64.45 H new ATOM 0 HB ILE A 20 18.409 1.704 -26.336 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.678 2.635 -23.613 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.396 2.425 -23.889 1.00 15.54 H new ATOM 0 HG21 ILE A 20 16.080 1.936 -25.567 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.471 0.250 -25.981 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.392 0.751 -24.276 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.703 4.718 -24.382 1.00 21.13 H new ATOM 0 HD12 ILE A 20 19.273 3.907 -25.860 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.529 4.120 -25.579 1.00 21.13 H new ATOM 304 N PHE A 21 20.638 0.545 -26.672 1.00 73.53 N ATOM 305 CA PHE A 21 21.969 0.770 -27.227 1.00 64.54 C ATOM 306 C PHE A 21 21.971 1.977 -28.161 1.00 32.43 C ATOM 307 O PHE A 21 21.111 2.102 -29.033 1.00 22.23 O ATOM 308 CB PHE A 21 22.448 -0.473 -27.980 1.00 22.21 C ATOM 309 CG PHE A 21 23.399 -1.323 -27.188 1.00 75.22 C ATOM 310 CD1 PHE A 21 22.932 -2.158 -26.185 1.00 21.22 C ATOM 311 CD2 PHE A 21 24.760 -1.287 -27.445 1.00 14.32 C ATOM 312 CE1 PHE A 21 23.805 -2.943 -25.455 1.00 63.25 C ATOM 313 CE2 PHE A 21 25.637 -2.070 -26.718 1.00 44.12 C ATOM 314 CZ PHE A 21 25.159 -2.898 -25.721 1.00 20.14 C ATOM 0 H PHE A 21 19.895 0.487 -27.368 1.00 73.53 H new ATOM 0 HA PHE A 21 22.651 0.970 -26.401 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.583 -1.074 -28.260 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.934 -0.163 -28.905 1.00 22.21 H new ATOM 0 HD1 PHE A 21 21.874 -2.196 -25.971 1.00 21.22 H new ATOM 0 HD2 PHE A 21 25.140 -0.640 -28.222 1.00 14.32 H new ATOM 0 HE1 PHE A 21 23.428 -3.591 -24.677 1.00 63.25 H new ATOM 0 HE2 PHE A 21 26.696 -2.034 -26.929 1.00 44.12 H new ATOM 0 HZ PHE A 21 25.843 -3.509 -25.151 1.00 20.14 H new ATOM 324 N PHE A 22 22.943 2.862 -27.971 1.00 34.14 N ATOM 325 CA PHE A 22 23.058 4.060 -28.794 1.00 71.33 C ATOM 326 C PHE A 22 24.170 3.906 -29.828 1.00 24.13 C ATOM 327 O PHE A 22 25.353 4.018 -29.505 1.00 42.03 O ATOM 328 CB PHE A 22 23.328 5.285 -27.917 1.00 34.11 C ATOM 329 CG PHE A 22 22.085 6.040 -27.543 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.796 6.311 -26.215 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.204 6.478 -28.519 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.654 7.008 -25.867 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.060 7.174 -28.177 1.00 34.04 C ATOM 334 CZ PHE A 22 19.784 7.438 -26.850 1.00 31.31 C ATOM 0 H PHE A 22 23.663 2.772 -27.254 1.00 34.14 H new ATOM 0 HA PHE A 22 22.114 4.200 -29.320 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.837 4.966 -27.008 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.007 5.956 -28.443 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.471 5.974 -25.443 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.414 6.273 -29.558 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.442 7.216 -24.829 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.382 7.511 -28.947 1.00 34.04 H new ATOM 0 HZ PHE A 22 18.889 7.980 -26.581 1.00 31.31 H new ATOM 344 N LYS A 23 23.781 3.647 -31.072 1.00 30.42 N ATOM 345 CA LYS A 23 24.743 3.477 -32.154 1.00 1.30 C ATOM 346 C LYS A 23 24.953 4.787 -32.906 1.00 12.33 C ATOM 347 O LYS A 23 24.004 5.533 -33.153 1.00 50.24 O ATOM 348 CB LYS A 23 24.267 2.391 -33.122 1.00 51.30 C ATOM 349 CG LYS A 23 25.347 1.907 -34.072 1.00 73.32 C ATOM 350 CD LYS A 23 24.853 1.873 -35.509 1.00 53.34 C ATOM 351 CE LYS A 23 25.949 1.430 -36.465 1.00 11.44 C ATOM 352 NZ LYS A 23 26.173 -0.041 -36.409 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.806 3.550 -31.356 1.00 30.42 H new ATOM 0 HA LYS A 23 25.694 3.173 -31.717 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.893 1.543 -32.548 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.429 2.776 -33.704 1.00 51.30 H new ATOM 0 HG2 LYS A 23 26.216 2.562 -34.001 1.00 73.32 H new ATOM 0 HG3 LYS A 23 25.674 0.910 -33.775 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.004 1.194 -35.587 1.00 53.34 H new ATOM 0 HD3 LYS A 23 24.497 2.862 -35.796 1.00 53.34 H new ATOM 0 HE2 LYS A 23 25.682 1.718 -37.482 1.00 11.44 H new ATOM 0 HE3 LYS A 23 26.876 1.948 -36.220 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 26.928 -0.303 -37.075 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 26.452 -0.313 -35.445 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 25.296 -0.536 -36.668 1.00 75.34 H new ATOM 366 N THR A 24 26.201 5.062 -33.272 1.00 1.24 N ATOM 367 CA THR A 24 26.535 6.281 -33.997 1.00 41.43 C ATOM 368 C THR A 24 27.580 6.013 -35.073 1.00 55.05 C ATOM 369 O THR A 24 28.091 4.899 -35.191 1.00 23.40 O ATOM 370 CB THR A 24 27.061 7.374 -33.046 1.00 24.11 C ATOM 371 OG1 THR A 24 28.393 7.057 -32.626 1.00 65.51 O ATOM 372 CG2 THR A 24 26.160 7.511 -31.829 1.00 50.11 C ATOM 0 H THR A 24 26.998 4.456 -33.078 1.00 1.24 H new ATOM 0 HA THR A 24 25.616 6.630 -34.467 1.00 41.43 H new ATOM 0 HB THR A 24 27.065 8.322 -33.584 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.373 6.271 -32.041 1.00 65.51 H new ATOM 0 HG21 THR A 24 26.551 8.288 -31.172 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.154 7.780 -32.150 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.128 6.563 -31.291 1.00 50.11 H new ATOM 380 N MET A 25 27.895 7.041 -35.854 1.00 73.10 N ATOM 381 CA MET A 25 28.883 6.915 -36.920 1.00 52.45 C ATOM 382 C MET A 25 30.298 6.893 -36.350 1.00 2.30 C ATOM 383 O MET A 25 31.257 6.581 -37.055 1.00 33.11 O ATOM 384 CB MET A 25 28.739 8.067 -37.916 1.00 30.23 C ATOM 385 CG MET A 25 29.051 7.674 -39.351 1.00 63.33 C ATOM 386 SD MET A 25 28.861 9.046 -40.504 1.00 45.42 S ATOM 387 CE MET A 25 27.522 8.444 -41.530 1.00 4.22 C ATOM 0 H MET A 25 27.481 7.969 -35.769 1.00 73.10 H new ATOM 0 HA MET A 25 28.705 5.973 -37.438 1.00 52.45 H new ATOM 0 HB2 MET A 25 27.721 8.453 -37.867 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.403 8.879 -37.618 1.00 30.23 H new ATOM 0 HG2 MET A 25 30.072 7.297 -39.406 1.00 63.33 H new ATOM 0 HG3 MET A 25 28.393 6.858 -39.651 1.00 63.33 H new ATOM 0 HE1 MET A 25 27.288 9.185 -42.294 1.00 4.22 H new ATOM 0 HE2 MET A 25 27.821 7.511 -42.008 1.00 4.22 H new ATOM 0 HE3 MET A 25 26.641 8.269 -40.913 1.00 4.22 H new ATOM 397 N LYS A 26 30.421 7.226 -35.070 1.00 24.12 N ATOM 398 CA LYS A 26 31.718 7.243 -34.404 1.00 45.31 C ATOM 399 C LYS A 26 31.941 5.958 -33.614 1.00 52.32 C ATOM 400 O LYS A 26 33.054 5.433 -33.567 1.00 42.42 O ATOM 401 CB LYS A 26 31.819 8.452 -33.471 1.00 13.34 C ATOM 402 CG LYS A 26 33.199 8.638 -32.864 1.00 61.12 C ATOM 403 CD LYS A 26 34.053 9.576 -33.699 1.00 13.14 C ATOM 404 CE LYS A 26 34.946 8.809 -34.662 1.00 42.23 C ATOM 405 NZ LYS A 26 35.925 7.947 -33.944 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.637 7.488 -34.472 1.00 24.12 H new ATOM 0 HA LYS A 26 32.491 7.317 -35.169 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.551 9.351 -34.025 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.090 8.343 -32.668 1.00 13.34 H new ATOM 0 HG2 LYS A 26 33.103 9.035 -31.853 1.00 61.12 H new ATOM 0 HG3 LYS A 26 33.694 7.671 -32.781 1.00 61.12 H new ATOM 0 HD2 LYS A 26 33.409 10.254 -34.260 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.668 10.191 -33.042 1.00 13.14 H new ATOM 0 HE2 LYS A 26 34.330 8.192 -35.315 1.00 42.23 H new ATOM 0 HE3 LYS A 26 35.481 9.513 -35.300 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 36.892 8.234 -34.198 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 35.792 8.051 -32.918 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 35.776 6.954 -34.214 1.00 4.53 H new ATOM 419 N GLN A 27 30.877 5.455 -32.996 1.00 23.51 N ATOM 420 CA GLN A 27 30.958 4.230 -32.209 1.00 54.41 C ATOM 421 C GLN A 27 29.602 3.878 -31.608 1.00 32.12 C ATOM 422 O GLN A 27 28.633 4.625 -31.755 1.00 31.42 O ATOM 423 CB GLN A 27 31.998 4.382 -31.098 1.00 35.15 C ATOM 424 CG GLN A 27 31.879 5.687 -30.327 1.00 31.13 C ATOM 425 CD GLN A 27 32.861 5.776 -29.175 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.594 6.757 -29.045 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.880 4.750 -28.333 1.00 44.23 N ATOM 0 H GLN A 27 29.949 5.877 -33.025 1.00 23.51 H new ATOM 0 HA GLN A 27 31.261 3.420 -32.873 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.899 3.549 -30.403 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.995 4.317 -31.534 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.046 6.523 -31.007 1.00 31.13 H new ATOM 0 HG3 GLN A 27 30.864 5.786 -29.943 1.00 31.13 H new ATOM 0 HE21 GLN A 27 32.254 3.958 -28.480 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.520 4.754 -27.539 1.00 44.23 H new ATOM 436 N VAL A 28 29.538 2.736 -30.933 1.00 3.05 N ATOM 437 CA VAL A 28 28.299 2.285 -30.309 1.00 24.14 C ATOM 438 C VAL A 28 28.463 2.147 -28.800 1.00 72.01 C ATOM 439 O VAL A 28 29.316 1.399 -28.322 1.00 14.41 O ATOM 440 CB VAL A 28 27.838 0.934 -30.889 1.00 50.21 C ATOM 441 CG1 VAL A 28 26.429 0.605 -30.420 1.00 4.54 C ATOM 442 CG2 VAL A 28 27.912 0.955 -32.409 1.00 44.43 C ATOM 0 H VAL A 28 30.329 2.105 -30.804 1.00 3.05 H new ATOM 0 HA VAL A 28 27.543 3.041 -30.523 1.00 24.14 H new ATOM 0 HB VAL A 28 28.507 0.154 -30.526 1.00 50.21 H new ATOM 0 HG11 VAL A 28 26.120 -0.352 -30.839 1.00 4.54 H new ATOM 0 HG12 VAL A 28 26.412 0.547 -29.332 1.00 4.54 H new ATOM 0 HG13 VAL A 28 25.744 1.385 -30.752 1.00 4.54 H new ATOM 0 HG21 VAL A 28 27.583 -0.007 -32.803 1.00 44.43 H new ATOM 0 HG22 VAL A 28 27.267 1.745 -32.794 1.00 44.43 H new ATOM 0 HG23 VAL A 28 28.940 1.142 -32.721 1.00 44.43 H new ATOM 452 N VAL A 29 27.639 2.873 -28.052 1.00 62.35 N ATOM 453 CA VAL A 29 27.690 2.831 -26.595 1.00 73.41 C ATOM 454 C VAL A 29 26.351 2.400 -26.010 1.00 41.43 C ATOM 455 O VAL A 29 25.287 2.644 -26.583 1.00 63.42 O ATOM 456 CB VAL A 29 28.078 4.201 -26.007 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.590 4.353 -25.957 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.448 5.325 -26.817 1.00 63.42 C ATOM 0 H VAL A 29 26.927 3.498 -28.431 1.00 62.35 H new ATOM 0 HA VAL A 29 28.452 2.100 -26.326 1.00 73.41 H new ATOM 0 HB VAL A 29 27.698 4.260 -24.987 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.844 5.327 -25.539 1.00 32.35 H new ATOM 0 HG12 VAL A 29 30.014 3.568 -25.331 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.997 4.274 -26.965 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.732 6.286 -26.388 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.797 5.270 -27.848 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.363 5.225 -26.796 1.00 63.42 H new ATOM 468 N PRO A 30 26.398 1.745 -24.841 1.00 73.00 N ATOM 469 CA PRO A 30 25.197 1.267 -24.151 1.00 3.14 C ATOM 470 C PRO A 30 24.359 2.409 -23.588 1.00 71.14 C ATOM 471 O PRO A 30 24.816 3.549 -23.515 1.00 11.03 O ATOM 472 CB PRO A 30 25.757 0.405 -23.018 1.00 20.11 C ATOM 473 CG PRO A 30 27.122 0.949 -22.767 1.00 44.03 C ATOM 474 CD PRO A 30 27.630 1.420 -24.102 1.00 41.22 C ATOM 0 HA PRO A 30 24.528 0.729 -24.823 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.134 0.471 -22.126 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.796 -0.646 -23.303 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.090 1.769 -22.050 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.776 0.185 -22.348 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.279 2.290 -24.001 1.00 41.22 H new ATOM 0 HD3 PRO A 30 28.209 0.647 -24.607 1.00 41.22 H new ATOM 482 N ALA A 31 23.129 2.096 -23.191 1.00 53.34 N ATOM 483 CA ALA A 31 22.228 3.096 -22.631 1.00 43.44 C ATOM 484 C ALA A 31 21.190 2.450 -21.720 1.00 41.51 C ATOM 485 O ALA A 31 20.735 1.334 -21.971 1.00 52.01 O ATOM 486 CB ALA A 31 21.544 3.872 -23.747 1.00 11.05 C ATOM 0 H ALA A 31 22.734 1.157 -23.247 1.00 53.34 H new ATOM 0 HA ALA A 31 22.819 3.788 -22.031 1.00 43.44 H new ATOM 0 HB1 ALA A 31 20.874 4.616 -23.315 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.297 4.372 -24.357 1.00 11.05 H new ATOM 0 HB3 ALA A 31 20.971 3.185 -24.370 1.00 11.05 H new ATOM 492 N LYS A 32 20.819 3.160 -20.658 1.00 42.21 N ATOM 493 CA LYS A 32 19.834 2.657 -19.709 1.00 42.03 C ATOM 494 C LYS A 32 18.545 3.469 -19.781 1.00 53.43 C ATOM 495 O LYS A 32 18.554 4.684 -19.585 1.00 15.15 O ATOM 496 CB LYS A 32 20.398 2.701 -18.287 1.00 10.13 C ATOM 497 CG LYS A 32 21.003 4.043 -17.914 1.00 15.14 C ATOM 498 CD LYS A 32 21.511 4.047 -16.482 1.00 43.25 C ATOM 499 CE LYS A 32 22.761 4.901 -16.336 1.00 41.14 C ATOM 500 NZ LYS A 32 23.929 4.299 -17.036 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.186 4.085 -20.434 1.00 42.21 H new ATOM 0 HA LYS A 32 19.607 1.624 -19.972 1.00 42.03 H new ATOM 0 HB2 LYS A 32 19.602 2.462 -17.582 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.159 1.927 -18.183 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.824 4.274 -18.593 1.00 15.14 H new ATOM 0 HG3 LYS A 32 20.256 4.827 -18.038 1.00 15.14 H new ATOM 0 HD2 LYS A 32 20.732 4.424 -15.820 1.00 43.25 H new ATOM 0 HD3 LYS A 32 21.728 3.026 -16.169 1.00 43.25 H new ATOM 0 HE2 LYS A 32 22.570 5.896 -16.738 1.00 41.14 H new ATOM 0 HE3 LYS A 32 22.995 5.024 -15.279 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 24.809 4.661 -16.616 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 23.898 3.264 -16.937 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 23.897 4.551 -18.044 1.00 23.12 H new ATOM 514 N ALA A 33 17.438 2.791 -20.063 1.00 74.42 N ATOM 515 CA ALA A 33 16.141 3.449 -20.157 1.00 62.44 C ATOM 516 C ALA A 33 15.383 3.361 -18.837 1.00 33.43 C ATOM 517 O ALA A 33 15.040 2.272 -18.378 1.00 52.11 O ATOM 518 CB ALA A 33 15.319 2.837 -21.282 1.00 44.12 C ATOM 0 H ALA A 33 17.413 1.785 -20.231 1.00 74.42 H new ATOM 0 HA ALA A 33 16.311 4.503 -20.378 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.353 3.338 -21.341 1.00 44.12 H new ATOM 0 HB2 ALA A 33 15.849 2.958 -22.227 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.166 1.776 -21.085 1.00 44.12 H new ATOM 524 N VAL A 34 15.126 4.514 -18.229 1.00 63.33 N ATOM 525 CA VAL A 34 14.408 4.568 -16.961 1.00 45.44 C ATOM 526 C VAL A 34 12.907 4.718 -17.186 1.00 54.42 C ATOM 527 O VAL A 34 12.472 5.245 -18.209 1.00 75.20 O ATOM 528 CB VAL A 34 14.905 5.733 -16.084 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.339 5.619 -14.676 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.425 5.766 -16.056 1.00 72.31 C ATOM 0 H VAL A 34 15.405 5.425 -18.594 1.00 63.33 H new ATOM 0 HA VAL A 34 14.603 3.627 -16.446 1.00 45.44 H new ATOM 0 HB VAL A 34 14.552 6.669 -16.517 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.700 6.450 -14.070 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.250 5.647 -14.718 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.660 4.678 -14.230 1.00 2.34 H new ATOM 0 HG21 VAL A 34 16.760 6.595 -15.432 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.802 4.829 -15.647 1.00 72.31 H new ATOM 0 HG23 VAL A 34 16.805 5.898 -17.069 1.00 72.31 H new ATOM 540 N CYS A 35 12.122 4.253 -16.220 1.00 52.54 N ATOM 541 CA CYS A 35 10.668 4.336 -16.312 1.00 31.55 C ATOM 542 C CYS A 35 10.208 5.789 -16.355 1.00 12.13 C ATOM 543 O CYS A 35 10.489 6.568 -15.444 1.00 51.25 O ATOM 544 CB CYS A 35 10.021 3.618 -15.126 1.00 11.41 C ATOM 545 SG CYS A 35 10.611 4.177 -13.512 1.00 13.12 S ATOM 0 H CYS A 35 12.467 3.815 -15.366 1.00 52.54 H new ATOM 0 HA CYS A 35 10.358 3.849 -17.236 1.00 31.55 H new ATOM 0 HB2 CYS A 35 8.941 3.759 -15.175 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.207 2.548 -15.218 1.00 11.41 H new ATOM 0 HG CYS A 35 10.825 5.459 -13.548 1.00 13.12 H new ATOM 551 N GLY A 36 9.499 6.149 -17.422 1.00 33.13 N ATOM 552 CA GLY A 36 9.013 7.509 -17.565 1.00 22.01 C ATOM 553 C GLY A 36 10.034 8.424 -18.209 1.00 2.31 C ATOM 554 O GLY A 36 9.782 9.615 -18.392 1.00 12.12 O ATOM 0 H GLY A 36 9.253 5.523 -18.189 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.103 7.505 -18.165 1.00 22.01 H new ATOM 0 HA3 GLY A 36 8.746 7.901 -16.584 1.00 22.01 H new ATOM 558 N SER A 37 11.191 7.869 -18.555 1.00 14.13 N ATOM 559 CA SER A 37 12.256 8.645 -19.178 1.00 31.10 C ATOM 560 C SER A 37 12.065 8.713 -20.690 1.00 73.20 C ATOM 561 O SER A 37 11.022 8.323 -21.215 1.00 73.03 O ATOM 562 CB SER A 37 13.620 8.033 -18.851 1.00 61.42 C ATOM 563 OG SER A 37 14.522 9.020 -18.381 1.00 54.42 O ATOM 0 H SER A 37 11.415 6.884 -18.414 1.00 14.13 H new ATOM 0 HA SER A 37 12.216 9.658 -18.778 1.00 31.10 H new ATOM 0 HB2 SER A 37 13.502 7.255 -18.097 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.030 7.555 -19.740 1.00 61.42 H new ATOM 0 HG SER A 37 15.385 8.604 -18.177 1.00 54.42 H new ATOM 569 N THR A 38 13.082 9.213 -21.386 1.00 25.44 N ATOM 570 CA THR A 38 13.028 9.335 -22.837 1.00 13.34 C ATOM 571 C THR A 38 14.380 9.021 -23.467 1.00 44.22 C ATOM 572 O THR A 38 15.422 9.169 -22.829 1.00 73.14 O ATOM 573 CB THR A 38 12.590 10.748 -23.267 1.00 44.44 C ATOM 574 OG1 THR A 38 12.878 11.687 -22.226 1.00 11.42 O ATOM 575 CG2 THR A 38 11.103 10.780 -23.588 1.00 11.40 C ATOM 0 H THR A 38 13.953 9.540 -20.967 1.00 25.44 H new ATOM 0 HA THR A 38 12.291 8.612 -23.187 1.00 13.34 H new ATOM 0 HB THR A 38 13.145 11.019 -24.165 1.00 44.44 H new ATOM 0 HG1 THR A 38 12.598 12.583 -22.507 1.00 11.42 H new ATOM 0 HG21 THR A 38 10.817 11.788 -23.889 1.00 11.40 H new ATOM 0 HG22 THR A 38 10.891 10.085 -24.400 1.00 11.40 H new ATOM 0 HG23 THR A 38 10.534 10.490 -22.705 1.00 11.40 H new ATOM 583 N VAL A 39 14.357 8.587 -24.723 1.00 70.42 N ATOM 584 CA VAL A 39 15.582 8.253 -25.439 1.00 33.14 C ATOM 585 C VAL A 39 16.590 9.394 -25.364 1.00 42.12 C ATOM 586 O VAL A 39 17.699 9.224 -24.855 1.00 10.21 O ATOM 587 CB VAL A 39 15.297 7.932 -26.919 1.00 65.42 C ATOM 588 CG1 VAL A 39 16.564 7.460 -27.616 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.195 6.891 -27.035 1.00 35.23 C ATOM 0 H VAL A 39 13.503 8.458 -25.266 1.00 70.42 H new ATOM 0 HA VAL A 39 16.000 7.369 -24.957 1.00 33.14 H new ATOM 0 HB VAL A 39 14.958 8.843 -27.412 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.344 7.238 -28.660 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.321 8.242 -27.563 1.00 4.01 H new ATOM 0 HG13 VAL A 39 16.936 6.561 -27.125 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.007 6.676 -28.087 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.503 5.977 -26.528 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.284 7.273 -26.574 1.00 35.23 H new ATOM 599 N LEU A 40 16.200 10.557 -25.872 1.00 4.40 N ATOM 600 CA LEU A 40 17.070 11.728 -25.862 1.00 4.13 C ATOM 601 C LEU A 40 17.561 12.028 -24.450 1.00 3.52 C ATOM 602 O LEU A 40 18.688 12.486 -24.258 1.00 65.40 O ATOM 603 CB LEU A 40 16.330 12.942 -26.426 1.00 11.34 C ATOM 604 CG LEU A 40 16.255 13.035 -27.950 1.00 34.30 C ATOM 605 CD1 LEU A 40 17.651 13.069 -28.552 1.00 31.55 C ATOM 606 CD2 LEU A 40 15.456 11.869 -28.516 1.00 22.30 C ATOM 0 H LEU A 40 15.286 10.715 -26.297 1.00 4.40 H new ATOM 0 HA LEU A 40 17.935 11.514 -26.490 1.00 4.13 H new ATOM 0 HB2 LEU A 40 15.314 12.938 -26.032 1.00 11.34 H new ATOM 0 HB3 LEU A 40 16.814 13.844 -26.051 1.00 11.34 H new ATOM 0 HG LEU A 40 15.745 13.962 -28.214 1.00 34.30 H new ATOM 0 HD11 LEU A 40 17.578 13.135 -29.638 1.00 31.55 H new ATOM 0 HD12 LEU A 40 18.190 13.936 -28.171 1.00 31.55 H new ATOM 0 HD13 LEU A 40 18.187 12.160 -28.279 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.413 11.951 -29.602 1.00 22.30 H new ATOM 0 HD22 LEU A 40 15.938 10.931 -28.242 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.445 11.890 -28.110 1.00 22.30 H new ATOM 618 N ASP A 41 16.709 11.766 -23.464 1.00 72.45 N ATOM 619 CA ASP A 41 17.059 12.005 -22.068 1.00 42.14 C ATOM 620 C ASP A 41 18.066 10.972 -21.575 1.00 25.23 C ATOM 621 O ASP A 41 18.845 11.236 -20.660 1.00 10.41 O ATOM 622 CB ASP A 41 15.805 11.971 -21.194 1.00 13.44 C ATOM 623 CG ASP A 41 16.000 12.687 -19.872 1.00 24.42 C ATOM 624 OD1 ASP A 41 15.895 13.932 -19.851 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.257 12.004 -18.860 1.00 64.23 O1- ATOM 0 H ASP A 41 15.772 11.388 -23.605 1.00 72.45 H new ATOM 0 HA ASP A 41 17.516 12.992 -21.997 1.00 42.14 H new ATOM 0 HB2 ASP A 41 14.977 12.431 -21.734 1.00 13.44 H new ATOM 0 HB3 ASP A 41 15.526 10.935 -21.005 1.00 13.44 H new ATOM 630 N VAL A 42 18.044 9.792 -22.188 1.00 2.11 N ATOM 631 CA VAL A 42 18.956 8.717 -21.812 1.00 13.25 C ATOM 632 C VAL A 42 20.357 8.969 -22.359 1.00 11.24 C ATOM 633 O VAL A 42 21.348 8.817 -21.646 1.00 54.34 O ATOM 634 CB VAL A 42 18.455 7.353 -22.321 1.00 43.20 C ATOM 635 CG1 VAL A 42 19.439 6.253 -21.954 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.072 7.052 -21.762 1.00 61.21 C ATOM 0 H VAL A 42 17.405 9.556 -22.947 1.00 2.11 H new ATOM 0 HA VAL A 42 18.993 8.698 -20.723 1.00 13.25 H new ATOM 0 HB VAL A 42 18.381 7.394 -23.408 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.069 5.296 -22.322 1.00 3.53 H new ATOM 0 HG12 VAL A 42 20.408 6.465 -22.407 1.00 3.53 H new ATOM 0 HG13 VAL A 42 19.547 6.208 -20.870 1.00 3.53 H new ATOM 0 HG21 VAL A 42 16.733 6.084 -22.132 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.117 7.029 -20.673 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.374 7.827 -22.080 1.00 61.21 H new ATOM 646 N ALA A 43 20.430 9.353 -23.628 1.00 21.42 N ATOM 647 CA ALA A 43 21.709 9.628 -24.270 1.00 20.42 C ATOM 648 C ALA A 43 22.540 10.604 -23.443 1.00 42.52 C ATOM 649 O ALA A 43 23.769 10.521 -23.417 1.00 14.32 O ATOM 650 CB ALA A 43 21.489 10.178 -25.672 1.00 62.22 C ATOM 0 H ALA A 43 19.618 9.481 -24.232 1.00 21.42 H new ATOM 0 HA ALA A 43 22.260 8.690 -24.341 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.453 10.379 -26.139 1.00 62.22 H new ATOM 0 HB2 ALA A 43 20.942 9.447 -26.268 1.00 62.22 H new ATOM 0 HB3 ALA A 43 20.914 11.102 -25.614 1.00 62.22 H new ATOM 656 N HIS A 44 21.863 11.527 -22.768 1.00 12.51 N ATOM 657 CA HIS A 44 22.540 12.518 -21.939 1.00 50.24 C ATOM 658 C HIS A 44 23.209 11.857 -20.738 1.00 54.31 C ATOM 659 O HIS A 44 24.278 12.279 -20.298 1.00 12.45 O ATOM 660 CB HIS A 44 21.548 13.581 -21.466 1.00 75.20 C ATOM 661 CG HIS A 44 22.128 14.543 -20.477 1.00 61.53 C ATOM 662 ND1 HIS A 44 23.352 15.155 -20.651 1.00 44.12 N ATOM 663 CD2 HIS A 44 21.645 15.002 -19.298 1.00 13.23 C ATOM 664 CE1 HIS A 44 23.598 15.945 -19.621 1.00 32.52 C ATOM 665 NE2 HIS A 44 22.577 15.871 -18.786 1.00 53.52 N ATOM 0 H HIS A 44 20.846 11.610 -22.779 1.00 12.51 H new ATOM 0 HA HIS A 44 23.311 12.996 -22.543 1.00 50.24 H new ATOM 0 HB2 HIS A 44 21.184 14.137 -22.330 1.00 75.20 H new ATOM 0 HB3 HIS A 44 20.686 13.088 -21.018 1.00 75.20 H new ATOM 0 HD2 HIS A 44 20.702 14.734 -18.845 1.00 13.23 H new ATOM 0 HE1 HIS A 44 24.483 16.549 -19.485 1.00 32.52 H new ATOM 0 HE2 HIS A 44 22.494 16.377 -17.904 1.00 53.52 H new ATOM 673 N LYS A 45 22.571 10.818 -20.210 1.00 13.22 N ATOM 674 CA LYS A 45 23.102 10.097 -19.060 1.00 44.10 C ATOM 675 C LYS A 45 24.389 9.365 -19.424 1.00 71.53 C ATOM 676 O LYS A 45 25.394 9.471 -18.722 1.00 73.03 O ATOM 677 CB LYS A 45 22.067 9.099 -18.534 1.00 74.53 C ATOM 678 CG LYS A 45 20.673 9.686 -18.395 1.00 40.45 C ATOM 679 CD LYS A 45 20.668 10.904 -17.486 1.00 63.15 C ATOM 680 CE LYS A 45 21.079 10.541 -16.067 1.00 32.12 C ATOM 681 NZ LYS A 45 21.112 11.735 -15.177 1.00 61.40 N1+ ATOM 0 H LYS A 45 21.684 10.456 -20.561 1.00 13.22 H new ATOM 0 HA LYS A 45 23.326 10.824 -18.279 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.026 8.242 -19.207 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.394 8.727 -17.563 1.00 74.53 H new ATOM 0 HG2 LYS A 45 20.295 9.964 -19.379 1.00 40.45 H new ATOM 0 HG3 LYS A 45 19.997 8.930 -17.995 1.00 40.45 H new ATOM 0 HD2 LYS A 45 21.349 11.658 -17.882 1.00 63.15 H new ATOM 0 HD3 LYS A 45 19.672 11.348 -17.476 1.00 63.15 H new ATOM 0 HE2 LYS A 45 20.382 9.806 -15.664 1.00 32.12 H new ATOM 0 HE3 LYS A 45 22.063 10.072 -16.082 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 21.396 11.446 -14.219 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 21.796 12.426 -15.548 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 20.167 12.168 -15.142 1.00 61.40 H new ATOM 695 N ASN A 46 24.352 8.622 -20.526 1.00 44.51 N ATOM 696 CA ASN A 46 25.516 7.873 -20.984 1.00 43.23 C ATOM 697 C ASN A 46 26.580 8.812 -21.545 1.00 15.11 C ATOM 698 O ASN A 46 27.765 8.481 -21.567 1.00 20.00 O ATOM 699 CB ASN A 46 25.106 6.854 -22.049 1.00 55.02 C ATOM 700 CG ASN A 46 26.224 5.882 -22.379 1.00 74.42 C ATOM 701 OD1 ASN A 46 26.324 4.810 -21.782 1.00 22.42 O ATOM 702 ND2 ASN A 46 27.068 6.255 -23.332 1.00 50.43 N ATOM 0 H ASN A 46 23.528 8.523 -21.118 1.00 44.51 H new ATOM 0 HA ASN A 46 25.937 7.345 -20.129 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.236 6.298 -21.700 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.806 7.380 -22.955 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.840 5.643 -23.598 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.945 7.153 -23.799 1.00 50.43 H new ATOM 709 N GLY A 47 26.148 9.985 -21.999 1.00 71.54 N ATOM 710 CA GLY A 47 27.076 10.953 -22.554 1.00 65.12 C ATOM 711 C GLY A 47 26.933 11.098 -24.056 1.00 62.25 C ATOM 712 O GLY A 47 27.483 12.024 -24.653 1.00 22.30 O ATOM 0 H GLY A 47 25.172 10.282 -21.992 1.00 71.54 H new ATOM 0 HA2 GLY A 47 26.912 11.921 -22.081 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.096 10.651 -22.317 1.00 65.12 H new ATOM 716 N VAL A 48 26.194 10.180 -24.670 1.00 31.22 N ATOM 717 CA VAL A 48 25.981 10.209 -26.112 1.00 41.02 C ATOM 718 C VAL A 48 25.393 11.544 -26.554 1.00 3.44 C ATOM 719 O VAL A 48 24.405 12.017 -25.990 1.00 22.32 O ATOM 720 CB VAL A 48 25.044 9.073 -26.564 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.965 9.018 -28.083 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.511 7.741 -25.998 1.00 32.44 C ATOM 0 H VAL A 48 25.733 9.407 -24.191 1.00 31.22 H new ATOM 0 HA VAL A 48 26.957 10.073 -26.579 1.00 41.02 H new ATOM 0 HB VAL A 48 24.044 9.275 -26.179 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.299 8.209 -28.384 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.581 9.965 -28.462 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.959 8.840 -28.493 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.838 6.950 -26.327 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.520 7.529 -26.351 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.510 7.788 -24.909 1.00 32.44 H new ATOM 732 N ASP A 49 26.005 12.148 -27.567 1.00 40.14 N ATOM 733 CA ASP A 49 25.541 13.429 -28.086 1.00 14.22 C ATOM 734 C ASP A 49 24.451 13.228 -29.133 1.00 34.02 C ATOM 735 O ASP A 49 24.714 13.271 -30.337 1.00 75.21 O ATOM 736 CB ASP A 49 26.709 14.211 -28.691 1.00 52.55 C ATOM 737 CG ASP A 49 26.374 15.673 -28.911 1.00 23.12 C ATOM 738 OD1 ASP A 49 25.285 15.959 -29.453 1.00 1.55 O ATOM 739 OD2 ASP A 49 27.200 16.533 -28.539 1.00 61.21 O1- ATOM 0 H ASP A 49 26.823 11.771 -28.045 1.00 40.14 H new ATOM 0 HA ASP A 49 25.122 13.999 -27.257 1.00 14.22 H new ATOM 0 HB2 ASP A 49 27.574 14.135 -28.032 1.00 52.55 H new ATOM 0 HB3 ASP A 49 26.992 13.759 -29.642 1.00 52.55 H new ATOM 744 N LEU A 50 23.225 13.008 -28.670 1.00 12.10 N ATOM 745 CA LEU A 50 22.094 12.799 -29.567 1.00 14.20 C ATOM 746 C LEU A 50 21.586 14.127 -30.121 1.00 31.24 C ATOM 747 O LEU A 50 21.187 15.013 -29.366 1.00 24.23 O ATOM 748 CB LEU A 50 20.964 12.074 -28.833 1.00 11.15 C ATOM 749 CG LEU A 50 20.210 11.016 -29.640 1.00 12.15 C ATOM 750 CD1 LEU A 50 19.720 11.598 -30.956 1.00 70.43 C ATOM 751 CD2 LEU A 50 21.095 9.804 -29.887 1.00 5.33 C ATOM 0 H LEU A 50 22.989 12.970 -27.678 1.00 12.10 H new ATOM 0 HA LEU A 50 22.431 12.184 -30.401 1.00 14.20 H new ATOM 0 HB2 LEU A 50 21.381 11.597 -27.946 1.00 11.15 H new ATOM 0 HB3 LEU A 50 20.246 12.818 -28.487 1.00 11.15 H new ATOM 0 HG LEU A 50 19.342 10.696 -29.063 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.186 10.831 -31.517 1.00 70.43 H new ATOM 0 HD12 LEU A 50 19.050 12.434 -30.757 1.00 70.43 H new ATOM 0 HD13 LEU A 50 20.572 11.947 -31.539 1.00 70.43 H new ATOM 0 HD21 LEU A 50 20.542 9.061 -30.462 1.00 5.33 H new ATOM 0 HD22 LEU A 50 21.982 10.108 -30.443 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.396 9.373 -28.932 1.00 5.33 H new ATOM 905 N CYS A 63 14.645 16.318 -39.319 1.00 12.42 N ATOM 906 CA CYS A 63 14.638 15.216 -38.367 1.00 3.52 C ATOM 907 C CYS A 63 14.609 13.872 -39.090 1.00 2.45 C ATOM 908 O CYS A 63 13.647 13.550 -39.787 1.00 4.13 O ATOM 909 CB CYS A 63 13.432 15.329 -37.432 1.00 25.53 C ATOM 910 SG CYS A 63 13.810 16.090 -35.819 1.00 22.10 S ATOM 0 HA CYS A 63 15.553 15.273 -37.778 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.657 15.915 -37.926 1.00 25.53 H new ATOM 0 HB3 CYS A 63 13.021 14.333 -37.265 1.00 25.53 H new ATOM 0 HG CYS A 63 13.735 15.188 -34.886 1.00 22.10 H new ATOM 915 N HIS A 64 15.671 13.091 -38.917 1.00 63.44 N ATOM 916 CA HIS A 64 15.768 11.781 -39.553 1.00 3.42 C ATOM 917 C HIS A 64 16.870 10.945 -38.909 1.00 30.22 C ATOM 918 O HIS A 64 18.055 11.230 -39.073 1.00 61.33 O ATOM 919 CB HIS A 64 16.039 11.936 -41.050 1.00 52.43 C ATOM 920 CG HIS A 64 17.187 12.847 -41.359 1.00 13.30 C ATOM 921 ND1 HIS A 64 18.420 12.389 -41.773 1.00 62.35 N ATOM 922 CD2 HIS A 64 17.283 14.196 -41.316 1.00 65.44 C ATOM 923 CE1 HIS A 64 19.226 13.417 -41.969 1.00 13.15 C ATOM 924 NE2 HIS A 64 18.560 14.526 -41.699 1.00 23.12 N ATOM 0 H HIS A 64 16.476 13.342 -38.343 1.00 63.44 H new ATOM 0 HA HIS A 64 14.817 11.266 -39.415 1.00 3.42 H new ATOM 0 HB2 HIS A 64 16.240 10.954 -41.478 1.00 52.43 H new ATOM 0 HB3 HIS A 64 15.141 12.318 -41.536 1.00 52.43 H new ATOM 0 HD2 HIS A 64 16.501 14.885 -41.033 1.00 65.44 H new ATOM 0 HE1 HIS A 64 20.254 13.361 -42.294 1.00 13.15 H new ATOM 0 HE2 HIS A 64 18.934 15.473 -41.764 1.00 23.12 H new ATOM 932 N VAL A 65 16.469 9.913 -38.174 1.00 61.11 N ATOM 933 CA VAL A 65 17.421 9.035 -37.504 1.00 32.34 C ATOM 934 C VAL A 65 17.141 7.572 -37.828 1.00 22.50 C ATOM 935 O VAL A 65 16.013 7.204 -38.159 1.00 34.33 O ATOM 936 CB VAL A 65 17.384 9.227 -35.976 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.565 8.528 -35.321 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.371 10.707 -35.627 1.00 23.01 C ATOM 0 H VAL A 65 15.491 9.664 -38.027 1.00 61.11 H new ATOM 0 HA VAL A 65 18.411 9.303 -37.872 1.00 32.34 H new ATOM 0 HB VAL A 65 16.468 8.777 -35.593 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.522 8.675 -34.242 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.526 7.462 -35.544 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.495 8.946 -35.707 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.345 10.825 -34.544 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.269 11.182 -36.022 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.490 11.176 -36.065 1.00 23.01 H new ATOM 948 N ILE A 66 18.173 6.742 -37.730 1.00 21.12 N ATOM 949 CA ILE A 66 18.038 5.317 -38.011 1.00 32.41 C ATOM 950 C ILE A 66 17.684 4.539 -36.749 1.00 54.10 C ATOM 951 O ILE A 66 18.338 4.681 -35.714 1.00 14.31 O ATOM 952 CB ILE A 66 19.331 4.737 -38.613 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.634 5.397 -39.960 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.212 3.228 -38.770 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.962 4.978 -40.553 1.00 62.21 C ATOM 0 H ILE A 66 19.113 7.031 -37.458 1.00 21.12 H new ATOM 0 HA ILE A 66 17.231 5.214 -38.737 1.00 32.41 H new ATOM 0 HB ILE A 66 20.157 4.948 -37.933 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.838 5.152 -40.663 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.627 6.480 -39.835 1.00 41.34 H new ATOM 0 HG21 ILE A 66 20.134 2.833 -39.197 1.00 64.43 H new ATOM 0 HG22 ILE A 66 19.039 2.773 -37.795 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.377 2.996 -39.431 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.111 5.484 -41.507 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.767 5.248 -39.870 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.966 3.899 -40.710 1.00 62.21 H new ATOM 967 N LEU A 67 16.646 3.716 -36.839 1.00 62.31 N ATOM 968 CA LEU A 67 16.204 2.912 -35.705 1.00 64.04 C ATOM 969 C LEU A 67 16.165 1.431 -36.069 1.00 12.11 C ATOM 970 O LEU A 67 16.148 1.072 -37.246 1.00 61.41 O ATOM 971 CB LEU A 67 14.823 3.371 -35.235 1.00 53.02 C ATOM 972 CG LEU A 67 14.362 2.835 -33.880 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.335 3.242 -32.785 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.959 3.330 -33.560 1.00 10.33 C ATOM 0 H LEU A 67 16.094 3.587 -37.687 1.00 62.31 H new ATOM 0 HA LEU A 67 16.920 3.049 -34.894 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.819 4.460 -35.192 1.00 53.02 H new ATOM 0 HB3 LEU A 67 14.090 3.079 -35.987 1.00 53.02 H new ATOM 0 HG LEU A 67 14.339 1.746 -33.931 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.990 2.851 -31.828 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.323 2.838 -33.007 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.391 4.329 -32.734 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.647 2.939 -32.592 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.956 4.420 -33.529 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.268 2.987 -34.330 1.00 10.33 H new ATOM 986 N GLU A 68 16.147 0.577 -35.050 1.00 71.02 N ATOM 987 CA GLU A 68 16.109 -0.865 -35.265 1.00 2.24 C ATOM 988 C GLU A 68 15.088 -1.227 -36.339 1.00 45.14 C ATOM 989 O GLU A 68 14.029 -0.607 -36.439 1.00 70.41 O ATOM 990 CB GLU A 68 15.769 -1.587 -33.958 1.00 2.12 C ATOM 991 CG GLU A 68 16.823 -2.593 -33.528 1.00 61.11 C ATOM 992 CD GLU A 68 16.285 -4.010 -33.462 1.00 60.41 C ATOM 993 OE1 GLU A 68 15.448 -4.284 -32.577 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.701 -4.843 -34.293 1.00 54.52 O1- ATOM 0 H GLU A 68 16.158 0.858 -34.070 1.00 71.02 H new ATOM 0 HA GLU A 68 17.095 -1.184 -35.603 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.640 -0.848 -33.167 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.814 -2.100 -34.074 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.659 -2.558 -34.226 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.212 -2.310 -32.550 1.00 61.11 H new ATOM 1001 N GLU A 69 15.414 -2.236 -37.141 1.00 22.44 N ATOM 1002 CA GLU A 69 14.527 -2.680 -38.210 1.00 73.04 C ATOM 1003 C GLU A 69 13.169 -3.097 -37.650 1.00 43.43 C ATOM 1004 O GLU A 69 12.128 -2.546 -38.007 1.00 23.14 O ATOM 1005 CB GLU A 69 15.156 -3.847 -38.974 1.00 71.35 C ATOM 1006 CG GLU A 69 15.388 -3.556 -40.446 1.00 42.54 C ATOM 1007 CD GLU A 69 16.219 -4.624 -41.129 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.993 -5.311 -40.428 1.00 54.15 O ATOM 1009 OE2 GLU A 69 16.097 -4.774 -42.363 1.00 42.34 O1- ATOM 0 H GLU A 69 16.286 -2.761 -37.071 1.00 22.44 H new ATOM 0 HA GLU A 69 14.379 -1.845 -38.895 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.108 -4.104 -38.509 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.510 -4.720 -38.882 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.426 -3.471 -40.951 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.887 -2.592 -40.547 1.00 42.54 H new ATOM 1016 N PRO A 70 13.180 -4.094 -36.753 1.00 54.22 N ATOM 1017 CA PRO A 70 11.958 -4.608 -36.126 1.00 20.10 C ATOM 1018 C PRO A 70 11.342 -3.608 -35.153 1.00 1.22 C ATOM 1019 O PRO A 70 10.138 -3.347 -35.194 1.00 33.25 O ATOM 1020 CB PRO A 70 12.440 -5.853 -35.379 1.00 54.11 C ATOM 1021 CG PRO A 70 13.885 -5.601 -35.115 1.00 53.54 C ATOM 1022 CD PRO A 70 14.385 -4.797 -36.283 1.00 23.21 C ATOM 0 HA PRO A 70 11.177 -4.810 -36.859 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.887 -5.996 -34.451 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.298 -6.753 -35.977 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.022 -5.058 -34.180 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.434 -6.538 -35.023 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.167 -4.099 -35.985 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.807 -5.435 -37.059 1.00 23.21 H new ATOM 1030 N LEU A 71 12.174 -3.049 -34.281 1.00 73.21 N ATOM 1031 CA LEU A 71 11.710 -2.076 -33.297 1.00 71.13 C ATOM 1032 C LEU A 71 10.945 -0.943 -33.971 1.00 14.24 C ATOM 1033 O LEU A 71 9.902 -0.508 -33.483 1.00 22.31 O ATOM 1034 CB LEU A 71 12.895 -1.512 -32.512 1.00 11.33 C ATOM 1035 CG LEU A 71 12.577 -0.954 -31.124 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.959 -1.956 -30.046 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.294 0.370 -30.904 1.00 52.41 C ATOM 0 H LEU A 71 13.172 -3.252 -34.235 1.00 73.21 H new ATOM 0 HA LEU A 71 11.035 -2.585 -32.608 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.641 -2.300 -32.403 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.353 -0.720 -33.104 1.00 11.33 H new ATOM 0 HG LEU A 71 11.503 -0.777 -31.062 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.726 -1.542 -29.065 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.399 -2.879 -30.193 1.00 70.15 H new ATOM 0 HD13 LEU A 71 14.027 -2.166 -30.106 1.00 70.15 H new ATOM 0 HD21 LEU A 71 13.056 0.752 -29.911 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.370 0.219 -30.986 1.00 52.41 H new ATOM 0 HD23 LEU A 71 12.970 1.089 -31.657 1.00 52.41 H new ATOM 1049 N TYR A 72 11.468 -0.470 -35.097 1.00 23.13 N ATOM 1050 CA TYR A 72 10.835 0.615 -35.838 1.00 72.33 C ATOM 1051 C TYR A 72 9.559 0.133 -36.523 1.00 64.33 C ATOM 1052 O TYR A 72 8.489 0.711 -36.342 1.00 54.01 O ATOM 1053 CB TYR A 72 11.803 1.183 -36.878 1.00 62.53 C ATOM 1054 CG TYR A 72 11.286 2.423 -37.571 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.576 2.332 -38.762 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.509 3.685 -37.036 1.00 33.42 C ATOM 1057 CE1 TYR A 72 10.102 3.463 -39.400 1.00 74.45 C ATOM 1058 CE2 TYR A 72 11.038 4.821 -37.666 1.00 12.54 C ATOM 1059 CZ TYR A 72 10.336 4.704 -38.848 1.00 14.41 C ATOM 1060 OH TYR A 72 9.866 5.834 -39.479 1.00 23.11 O ATOM 0 H TYR A 72 12.329 -0.821 -35.517 1.00 23.13 H new ATOM 0 HA TYR A 72 10.572 1.401 -35.130 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.750 1.417 -36.391 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.009 0.418 -37.626 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.391 1.361 -39.197 1.00 13.23 H new ATOM 0 HD2 TYR A 72 12.060 3.780 -36.112 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.552 3.375 -40.325 1.00 74.45 H new ATOM 0 HE2 TYR A 72 11.218 5.795 -37.236 1.00 12.54 H new ATOM 0 HH TYR A 72 10.462 6.588 -39.287 1.00 23.11 H new ATOM 1070 N ARG A 73 9.684 -0.931 -37.310 1.00 65.44 N ATOM 1071 CA ARG A 73 8.543 -1.491 -38.023 1.00 14.13 C ATOM 1072 C ARG A 73 7.394 -1.785 -37.063 1.00 11.43 C ATOM 1073 O ARG A 73 6.222 -1.647 -37.419 1.00 2.21 O ATOM 1074 CB ARG A 73 8.950 -2.770 -38.756 1.00 24.52 C ATOM 1075 CG ARG A 73 8.291 -2.929 -40.117 1.00 20.20 C ATOM 1076 CD ARG A 73 6.975 -3.683 -40.013 1.00 62.31 C ATOM 1077 NE ARG A 73 6.607 -4.319 -41.276 1.00 14.20 N ATOM 1078 CZ ARG A 73 5.426 -4.885 -41.498 1.00 65.04 C ATOM 1079 NH1 ARG A 73 4.502 -4.893 -40.547 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 5.167 -5.443 -42.673 1.00 13.35 N ATOM 0 H ARG A 73 10.564 -1.422 -37.470 1.00 65.44 H new ATOM 0 HA ARG A 73 8.205 -0.755 -38.753 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.033 -2.777 -38.883 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.696 -3.630 -38.136 1.00 24.52 H new ATOM 0 HG2 ARG A 73 8.115 -1.946 -40.554 1.00 20.20 H new ATOM 0 HG3 ARG A 73 8.965 -3.461 -40.789 1.00 20.20 H new ATOM 0 HD2 ARG A 73 7.052 -4.442 -39.234 1.00 62.31 H new ATOM 0 HD3 ARG A 73 6.186 -2.995 -39.710 1.00 62.31 H new ATOM 0 HE ARG A 73 7.295 -4.329 -42.029 1.00 14.20 H new ATOM 0 HH11 ARG A 73 4.697 -4.464 -39.643 1.00 12.32 H new ATOM 0 HH12 ARG A 73 3.596 -5.328 -40.720 1.00 12.32 H new ATOM 0 HH21 ARG A 73 5.875 -5.438 -43.407 1.00 13.35 H new ATOM 0 HH22 ARG A 73 4.260 -5.877 -42.842 1.00 13.35 H new ATOM 1094 N LYS A 74 7.736 -2.194 -35.847 1.00 33.12 N ATOM 1095 CA LYS A 74 6.734 -2.508 -34.835 1.00 31.02 C ATOM 1096 C LYS A 74 6.173 -1.234 -34.212 1.00 63.21 C ATOM 1097 O LYS A 74 4.966 -1.121 -33.984 1.00 75.00 O ATOM 1098 CB LYS A 74 7.341 -3.396 -33.746 1.00 65.31 C ATOM 1099 CG LYS A 74 7.444 -4.859 -34.142 1.00 40.52 C ATOM 1100 CD LYS A 74 7.770 -5.739 -32.946 1.00 34.44 C ATOM 1101 CE LYS A 74 6.550 -5.953 -32.063 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.729 -7.107 -31.140 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.700 -2.316 -35.537 1.00 33.12 H new ATOM 0 HA LYS A 74 5.918 -3.044 -35.320 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.335 -3.024 -33.498 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.736 -3.314 -32.843 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.504 -5.183 -34.588 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.215 -4.977 -34.903 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.143 -6.703 -33.293 1.00 34.44 H new ATOM 0 HD3 LYS A 74 8.567 -5.280 -32.362 1.00 34.44 H new ATOM 0 HE2 LYS A 74 6.359 -5.050 -31.483 1.00 41.15 H new ATOM 0 HE3 LYS A 74 5.674 -6.121 -32.689 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 5.876 -7.220 -30.556 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 6.886 -7.973 -31.694 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 7.550 -6.936 -30.525 1.00 30.01 H new ATOM 1116 N LEU A 75 7.052 -0.277 -33.938 1.00 52.50 N ATOM 1117 CA LEU A 75 6.642 0.991 -33.343 1.00 65.55 C ATOM 1118 C LEU A 75 5.707 1.754 -34.274 1.00 75.21 C ATOM 1119 O LEU A 75 4.895 2.564 -33.829 1.00 64.44 O ATOM 1120 CB LEU A 75 7.870 1.846 -33.022 1.00 21.23 C ATOM 1121 CG LEU A 75 8.283 1.903 -31.551 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.154 2.464 -30.701 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.687 0.521 -31.057 1.00 51.32 C ATOM 0 H LEU A 75 8.053 -0.354 -34.118 1.00 52.50 H new ATOM 0 HA LEU A 75 6.105 0.774 -32.419 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.713 1.467 -33.601 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.679 2.863 -33.365 1.00 21.23 H new ATOM 0 HG LEU A 75 9.143 2.566 -31.461 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.466 2.497 -29.657 1.00 62.14 H new ATOM 0 HD12 LEU A 75 6.910 3.471 -31.039 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.275 1.826 -30.797 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.978 0.580 -30.008 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.845 -0.163 -31.162 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.528 0.155 -31.647 1.00 51.32 H new ATOM 1135 N GLY A 76 5.826 1.488 -35.572 1.00 21.42 N ATOM 1136 CA GLY A 76 4.983 2.155 -36.546 1.00 10.52 C ATOM 1137 C GLY A 76 5.785 2.845 -37.632 1.00 14.51 C ATOM 1138 O GLY A 76 6.825 3.443 -37.358 1.00 71.33 O ATOM 0 H GLY A 76 6.491 0.822 -35.965 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.313 1.426 -37.001 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.358 2.889 -36.038 1.00 10.52 H new ATOM 1142 N GLU A 77 5.303 2.758 -38.868 1.00 31.22 N ATOM 1143 CA GLU A 77 5.985 3.377 -39.998 1.00 3.31 C ATOM 1144 C GLU A 77 5.195 4.573 -40.522 1.00 55.51 C ATOM 1145 O GLU A 77 3.998 4.714 -40.276 1.00 65.31 O ATOM 1146 CB GLU A 77 6.190 2.356 -41.120 1.00 60.22 C ATOM 1147 CG GLU A 77 7.465 1.541 -40.976 1.00 64.43 C ATOM 1148 CD GLU A 77 8.265 1.480 -42.263 1.00 52.41 C ATOM 1149 OE1 GLU A 77 8.379 0.378 -42.838 1.00 31.24 O ATOM 1150 OE2 GLU A 77 8.778 2.535 -42.693 1.00 22.41 O1- ATOM 0 H GLU A 77 4.444 2.265 -39.112 1.00 31.22 H new ATOM 0 HA GLU A 77 6.958 3.729 -39.654 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.336 1.679 -41.144 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.209 2.879 -42.076 1.00 60.22 H new ATOM 0 HG2 GLU A 77 8.082 1.974 -40.189 1.00 64.43 H new ATOM 0 HG3 GLU A 77 7.211 0.529 -40.661 1.00 64.43 H new ATOM 1157 N PRO A 78 5.882 5.456 -41.262 1.00 13.34 N ATOM 1158 CA PRO A 78 5.266 6.656 -41.836 1.00 21.23 C ATOM 1159 C PRO A 78 4.290 6.325 -42.960 1.00 62.01 C ATOM 1160 O PRO A 78 4.267 5.203 -43.464 1.00 42.25 O ATOM 1161 CB PRO A 78 6.462 7.443 -42.380 1.00 40.44 C ATOM 1162 CG PRO A 78 7.505 6.413 -42.642 1.00 2.43 C ATOM 1163 CD PRO A 78 7.312 5.352 -41.594 1.00 41.44 C ATOM 0 HA PRO A 78 4.677 7.204 -41.100 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.200 7.982 -43.291 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.809 8.184 -41.660 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.399 5.996 -43.644 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.504 6.845 -42.581 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.565 4.362 -41.973 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.941 5.530 -40.722 1.00 41.44 H new ATOM 1171 N SER A 79 3.487 7.310 -43.349 1.00 1.54 N ATOM 1172 CA SER A 79 2.506 7.123 -44.412 1.00 22.12 C ATOM 1173 C SER A 79 3.185 6.684 -45.705 1.00 55.34 C ATOM 1174 O SER A 79 4.411 6.683 -45.806 1.00 42.34 O ATOM 1175 CB SER A 79 1.722 8.415 -44.646 1.00 75.41 C ATOM 1176 OG SER A 79 0.590 8.183 -45.465 1.00 71.31 O ATOM 0 H SER A 79 3.496 8.246 -42.944 1.00 1.54 H new ATOM 0 HA SER A 79 1.814 6.340 -44.101 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.404 8.829 -43.689 1.00 75.41 H new ATOM 0 HB3 SER A 79 2.369 9.156 -45.115 1.00 75.41 H new ATOM 0 HG SER A 79 0.105 9.024 -45.598 1.00 71.31 H new ATOM 1182 N ASP A 80 2.378 6.311 -46.692 1.00 2.42 N ATOM 1183 CA ASP A 80 2.899 5.871 -47.982 1.00 64.33 C ATOM 1184 C ASP A 80 3.724 6.973 -48.639 1.00 41.21 C ATOM 1185 O ASP A 80 4.741 6.704 -49.279 1.00 61.31 O ATOM 1186 CB ASP A 80 1.752 5.456 -48.904 1.00 42.53 C ATOM 1187 CG ASP A 80 1.222 4.073 -48.583 1.00 72.41 C ATOM 1188 OD1 ASP A 80 -0.015 3.912 -48.519 1.00 61.52 O ATOM 1189 OD2 ASP A 80 2.043 3.151 -48.398 1.00 62.51 O1- ATOM 0 H ASP A 80 1.360 6.304 -46.624 1.00 2.42 H new ATOM 0 HA ASP A 80 3.546 5.011 -47.811 1.00 64.33 H new ATOM 0 HB2 ASP A 80 0.942 6.181 -48.820 1.00 42.53 H new ATOM 0 HB3 ASP A 80 2.095 5.479 -49.938 1.00 42.53 H new ATOM 1194 N LYS A 81 3.280 8.214 -48.476 1.00 63.24 N ATOM 1195 CA LYS A 81 3.977 9.358 -49.053 1.00 42.30 C ATOM 1196 C LYS A 81 5.452 9.350 -48.664 1.00 52.43 C ATOM 1197 O LYS A 81 6.327 9.248 -49.522 1.00 13.12 O ATOM 1198 CB LYS A 81 3.324 10.663 -48.594 1.00 24.44 C ATOM 1199 CG LYS A 81 3.906 11.901 -49.254 1.00 13.30 C ATOM 1200 CD LYS A 81 3.791 13.120 -48.356 1.00 11.42 C ATOM 1201 CE LYS A 81 2.362 13.636 -48.296 1.00 51.52 C ATOM 1202 NZ LYS A 81 1.584 12.992 -47.201 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.440 8.454 -47.949 1.00 63.24 H new ATOM 0 HA LYS A 81 3.906 9.285 -50.138 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.255 10.618 -48.804 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.433 10.753 -47.513 1.00 24.44 H new ATOM 0 HG2 LYS A 81 4.954 11.726 -49.498 1.00 13.30 H new ATOM 0 HG3 LYS A 81 3.388 12.091 -50.194 1.00 13.30 H new ATOM 0 HD2 LYS A 81 4.130 12.866 -47.351 1.00 11.42 H new ATOM 0 HD3 LYS A 81 4.448 13.908 -48.724 1.00 11.42 H new ATOM 0 HE2 LYS A 81 2.372 14.716 -48.148 1.00 51.52 H new ATOM 0 HE3 LYS A 81 1.869 13.450 -49.250 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 0.765 12.493 -47.604 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 2.190 12.313 -46.698 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 1.253 13.720 -46.536 1.00 62.13 H new ATOM 1216 N GLU A 82 5.717 9.456 -47.366 1.00 13.40 N ATOM 1217 CA GLU A 82 7.087 9.460 -46.865 1.00 22.15 C ATOM 1218 C GLU A 82 7.745 8.099 -47.073 1.00 24.23 C ATOM 1219 O GLU A 82 8.942 8.013 -47.351 1.00 2.21 O ATOM 1220 CB GLU A 82 7.108 9.829 -45.380 1.00 53.12 C ATOM 1221 CG GLU A 82 6.801 11.292 -45.111 1.00 71.53 C ATOM 1222 CD GLU A 82 5.312 11.569 -45.031 1.00 12.30 C ATOM 1223 OE1 GLU A 82 4.542 10.613 -44.803 1.00 14.14 O ATOM 1224 OE2 GLU A 82 4.917 12.743 -45.197 1.00 32.01 O1- ATOM 0 H GLU A 82 5.003 9.540 -46.643 1.00 13.40 H new ATOM 0 HA GLU A 82 7.651 10.206 -47.425 1.00 22.15 H new ATOM 0 HB2 GLU A 82 6.383 9.211 -44.851 1.00 53.12 H new ATOM 0 HB3 GLU A 82 8.089 9.591 -44.969 1.00 53.12 H new ATOM 0 HG2 GLU A 82 7.274 11.593 -44.176 1.00 71.53 H new ATOM 0 HG3 GLU A 82 7.239 11.903 -45.901 1.00 71.53 H new ATOM 1231 N TYR A 83 6.956 7.040 -46.936 1.00 32.52 N ATOM 1232 CA TYR A 83 7.463 5.683 -47.105 1.00 21.41 C ATOM 1233 C TYR A 83 8.111 5.511 -48.475 1.00 74.33 C ATOM 1234 O TYR A 83 9.260 5.080 -48.582 1.00 30.25 O ATOM 1235 CB TYR A 83 6.331 4.668 -46.933 1.00 60.15 C ATOM 1236 CG TYR A 83 6.806 3.234 -46.889 1.00 3.54 C ATOM 1237 CD1 TYR A 83 7.316 2.615 -48.024 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.743 2.495 -45.715 1.00 72.12 C ATOM 1239 CE1 TYR A 83 7.750 1.305 -47.990 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.176 1.184 -45.670 1.00 71.42 C ATOM 1241 CZ TYR A 83 7.679 0.593 -46.811 1.00 11.20 C ATOM 1242 OH TYR A 83 8.109 -0.713 -46.771 1.00 41.13 O ATOM 0 H TYR A 83 5.963 7.094 -46.708 1.00 32.52 H new ATOM 0 HA TYR A 83 8.219 5.507 -46.340 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.791 4.891 -46.013 1.00 60.15 H new ATOM 0 HB3 TYR A 83 5.623 4.783 -47.754 1.00 60.15 H new ATOM 0 HD1 TYR A 83 7.374 3.169 -48.949 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.348 2.954 -44.821 1.00 72.12 H new ATOM 0 HE1 TYR A 83 8.143 0.840 -48.882 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.121 0.625 -44.748 1.00 71.42 H new ATOM 0 HH TYR A 83 7.991 -1.069 -45.865 1.00 41.13 H new ATOM 1252 N ASP A 84 7.367 5.851 -49.521 1.00 24.14 N ATOM 1253 CA ASP A 84 7.869 5.737 -50.886 1.00 41.30 C ATOM 1254 C ASP A 84 9.025 6.703 -51.124 1.00 24.23 C ATOM 1255 O ASP A 84 10.029 6.347 -51.743 1.00 11.41 O ATOM 1256 CB ASP A 84 6.747 6.008 -51.890 1.00 33.25 C ATOM 1257 CG ASP A 84 6.869 5.159 -53.139 1.00 12.43 C ATOM 1258 OD1 ASP A 84 7.953 4.580 -53.359 1.00 71.12 O ATOM 1259 OD2 ASP A 84 5.880 5.073 -53.896 1.00 45.14 O1- ATOM 0 H ASP A 84 6.414 6.208 -49.451 1.00 24.14 H new ATOM 0 HA ASP A 84 8.235 4.720 -51.027 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.785 5.815 -51.416 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.759 7.062 -52.168 1.00 33.25 H new ATOM 1264 N LEU A 85 8.878 7.926 -50.628 1.00 20.31 N ATOM 1265 CA LEU A 85 9.910 8.946 -50.786 1.00 5.33 C ATOM 1266 C LEU A 85 11.249 8.452 -50.247 1.00 63.15 C ATOM 1267 O LEU A 85 12.302 8.743 -50.817 1.00 64.22 O ATOM 1268 CB LEU A 85 9.499 10.230 -50.064 1.00 32.10 C ATOM 1269 CG LEU A 85 10.019 11.535 -50.670 1.00 40.23 C ATOM 1270 CD1 LEU A 85 11.538 11.580 -50.619 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.527 11.693 -52.101 1.00 5.43 C ATOM 0 H LEU A 85 8.054 8.236 -50.113 1.00 20.31 H new ATOM 0 HA LEU A 85 10.022 9.155 -51.850 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.410 10.274 -50.035 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.843 10.169 -49.032 1.00 32.10 H new ATOM 0 HG LEU A 85 9.631 12.366 -50.080 1.00 40.23 H new ATOM 0 HD11 LEU A 85 11.889 12.516 -51.054 1.00 13.40 H new ATOM 0 HD12 LEU A 85 11.869 11.515 -49.583 1.00 13.40 H new ATOM 0 HD13 LEU A 85 11.946 10.741 -51.183 1.00 13.40 H new ATOM 0 HD21 LEU A 85 9.907 12.627 -52.515 1.00 5.43 H new ATOM 0 HD22 LEU A 85 9.884 10.857 -52.703 1.00 5.43 H new ATOM 0 HD23 LEU A 85 8.437 11.708 -52.111 1.00 5.43 H new ATOM 1283 N ILE A 86 11.201 7.705 -49.150 1.00 45.10 N ATOM 1284 CA ILE A 86 12.411 7.169 -48.539 1.00 32.42 C ATOM 1285 C ILE A 86 12.968 6.005 -49.350 1.00 52.13 C ATOM 1286 O ILE A 86 14.146 5.991 -49.707 1.00 14.31 O ATOM 1287 CB ILE A 86 12.150 6.697 -47.096 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.631 7.855 -46.243 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.419 6.113 -46.492 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.674 7.423 -45.154 1.00 63.41 C ATOM 0 H ILE A 86 10.338 7.457 -48.666 1.00 45.10 H new ATOM 0 HA ILE A 86 13.141 7.978 -48.522 1.00 32.42 H new ATOM 0 HB ILE A 86 11.389 5.917 -47.117 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.478 8.368 -45.788 1.00 10.12 H new ATOM 0 HG13 ILE A 86 11.131 8.576 -46.890 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.219 5.784 -45.472 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.749 5.263 -47.089 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.200 6.873 -46.481 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.347 8.296 -44.589 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.808 6.936 -45.603 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.176 6.725 -44.484 1.00 63.41 H new ATOM 1302 N ASP A 87 12.113 5.030 -49.639 1.00 50.21 N ATOM 1303 CA ASP A 87 12.519 3.861 -50.412 1.00 61.54 C ATOM 1304 C ASP A 87 13.050 4.274 -51.781 1.00 73.01 C ATOM 1305 O ASP A 87 13.790 3.526 -52.419 1.00 74.03 O ATOM 1306 CB ASP A 87 11.342 2.899 -50.576 1.00 35.13 C ATOM 1307 CG ASP A 87 11.753 1.586 -51.214 1.00 41.55 C ATOM 1308 OD1 ASP A 87 12.084 0.640 -50.467 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.743 1.504 -52.460 1.00 51.34 O1- ATOM 0 H ASP A 87 11.135 5.026 -49.350 1.00 50.21 H new ATOM 0 HA ASP A 87 13.318 3.356 -49.870 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.898 2.702 -49.600 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.573 3.371 -51.187 1.00 35.13 H new ATOM 1314 N GLN A 88 12.667 5.466 -52.225 1.00 32.35 N ATOM 1315 CA GLN A 88 13.103 5.975 -53.519 1.00 71.22 C ATOM 1316 C GLN A 88 14.548 6.458 -53.455 1.00 44.01 C ATOM 1317 O GLN A 88 15.243 6.505 -54.470 1.00 30.30 O ATOM 1318 CB GLN A 88 12.192 7.115 -53.975 1.00 71.55 C ATOM 1319 CG GLN A 88 10.983 6.649 -54.769 1.00 72.24 C ATOM 1320 CD GLN A 88 10.058 7.787 -55.149 1.00 74.11 C ATOM 1321 OE1 GLN A 88 10.255 8.451 -56.166 1.00 14.12 O ATOM 1322 NE2 GLN A 88 9.039 8.020 -54.329 1.00 31.43 N ATOM 0 H GLN A 88 12.056 6.097 -51.708 1.00 32.35 H new ATOM 0 HA GLN A 88 13.043 5.160 -54.241 1.00 71.22 H new ATOM 0 HB2 GLN A 88 11.850 7.668 -53.100 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.771 7.809 -54.584 1.00 71.55 H new ATOM 0 HG2 GLN A 88 11.321 6.143 -55.674 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.429 5.916 -54.182 1.00 72.24 H new ATOM 0 HE21 GLN A 88 8.913 7.445 -53.496 1.00 31.43 H new ATOM 0 HE22 GLN A 88 8.383 8.774 -54.532 1.00 31.43 H new ATOM 1331 N ALA A 89 14.995 6.815 -52.255 1.00 43.05 N ATOM 1332 CA ALA A 89 16.358 7.292 -52.059 1.00 33.15 C ATOM 1333 C ALA A 89 17.359 6.144 -52.138 1.00 24.14 C ATOM 1334 O ALA A 89 16.984 4.973 -52.055 1.00 71.13 O ATOM 1335 CB ALA A 89 16.479 8.008 -50.722 1.00 12.20 C ATOM 0 H ALA A 89 14.433 6.783 -51.405 1.00 43.05 H new ATOM 0 HA ALA A 89 16.588 7.996 -52.859 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.502 8.359 -50.589 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.798 8.859 -50.702 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.224 7.320 -49.916 1.00 12.20 H new ATOM 1341 N PHE A 90 18.632 6.485 -52.298 1.00 74.20 N ATOM 1342 CA PHE A 90 19.688 5.482 -52.389 1.00 75.52 C ATOM 1343 C PHE A 90 19.982 4.875 -51.020 1.00 71.45 C ATOM 1344 O PHE A 90 20.469 5.556 -50.120 1.00 12.24 O ATOM 1345 CB PHE A 90 20.960 6.100 -52.970 1.00 64.23 C ATOM 1346 CG PHE A 90 21.892 5.093 -53.581 1.00 13.13 C ATOM 1347 CD1 PHE A 90 23.199 4.980 -53.136 1.00 30.42 C ATOM 1348 CD2 PHE A 90 21.461 4.261 -54.601 1.00 65.35 C ATOM 1349 CE1 PHE A 90 24.059 4.055 -53.695 1.00 45.43 C ATOM 1350 CE2 PHE A 90 22.316 3.333 -55.164 1.00 31.34 C ATOM 1351 CZ PHE A 90 23.617 3.230 -54.712 1.00 1.02 C ATOM 0 H PHE A 90 18.959 7.449 -52.368 1.00 74.20 H new ATOM 0 HA PHE A 90 19.344 4.688 -53.052 1.00 75.52 H new ATOM 0 HB2 PHE A 90 20.684 6.834 -53.727 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.486 6.638 -52.181 1.00 64.23 H new ATOM 0 HD1 PHE A 90 23.550 5.623 -52.342 1.00 30.42 H new ATOM 0 HD2 PHE A 90 20.445 4.338 -54.960 1.00 65.35 H new ATOM 0 HE1 PHE A 90 25.075 3.976 -53.338 1.00 45.43 H new ATOM 0 HE2 PHE A 90 21.967 2.688 -55.957 1.00 31.34 H new ATOM 0 HZ PHE A 90 24.287 2.507 -55.152 1.00 1.02 H new ATOM 1361 N GLY A 91 19.681 3.589 -50.872 1.00 12.51 N ATOM 1362 CA GLY A 91 19.920 2.912 -49.612 1.00 14.41 C ATOM 1363 C GLY A 91 19.310 3.646 -48.434 1.00 73.13 C ATOM 1364 O GLY A 91 19.921 3.743 -47.370 1.00 4.35 O ATOM 0 H GLY A 91 19.276 3.004 -51.603 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.508 1.904 -49.661 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.994 2.810 -49.456 1.00 14.41 H new ATOM 1368 N ALA A 92 18.104 4.170 -48.625 1.00 4.24 N ATOM 1369 CA ALA A 92 17.412 4.900 -47.570 1.00 70.22 C ATOM 1370 C ALA A 92 16.250 4.087 -47.011 1.00 24.25 C ATOM 1371 O ALA A 92 15.277 3.809 -47.714 1.00 13.15 O ATOM 1372 CB ALA A 92 16.918 6.241 -48.093 1.00 0.13 C ATOM 0 H ALA A 92 17.586 4.103 -49.501 1.00 4.24 H new ATOM 0 HA ALA A 92 18.120 5.077 -46.760 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.403 6.776 -47.295 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.767 6.832 -48.437 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.230 6.077 -48.922 1.00 0.13 H new ATOM 1378 N THR A 93 16.355 3.708 -45.741 1.00 45.11 N ATOM 1379 CA THR A 93 15.313 2.926 -45.088 1.00 43.04 C ATOM 1380 C THR A 93 14.341 3.825 -44.334 1.00 51.13 C ATOM 1381 O THR A 93 14.740 4.827 -43.741 1.00 12.44 O ATOM 1382 CB THR A 93 15.913 1.900 -44.108 1.00 14.42 C ATOM 1383 OG1 THR A 93 17.280 1.639 -44.446 1.00 31.50 O ATOM 1384 CG2 THR A 93 15.122 0.601 -44.132 1.00 75.11 C ATOM 0 H THR A 93 17.152 3.930 -45.144 1.00 45.11 H new ATOM 0 HA THR A 93 14.776 2.396 -45.874 1.00 43.04 H new ATOM 0 HB THR A 93 15.862 2.319 -43.103 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.654 0.987 -43.817 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.565 -0.108 -43.432 1.00 75.11 H new ATOM 0 HG22 THR A 93 14.089 0.798 -43.844 1.00 75.11 H new ATOM 0 HG23 THR A 93 15.144 0.180 -45.137 1.00 75.11 H new ATOM 1392 N GLY A 94 13.063 3.461 -44.359 1.00 64.34 N ATOM 1393 CA GLY A 94 12.054 4.245 -43.674 1.00 73.52 C ATOM 1394 C GLY A 94 12.372 4.442 -42.204 1.00 11.42 C ATOM 1395 O GLY A 94 11.903 5.395 -41.581 1.00 75.13 O ATOM 0 H GLY A 94 12.709 2.636 -44.842 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.965 5.218 -44.157 1.00 73.52 H new ATOM 0 HA3 GLY A 94 11.087 3.751 -43.770 1.00 73.52 H new ATOM 1399 N THR A 95 13.172 3.539 -41.647 1.00 3.02 N ATOM 1400 CA THR A 95 13.550 3.615 -40.242 1.00 45.00 C ATOM 1401 C THR A 95 14.570 4.724 -40.007 1.00 1.41 C ATOM 1402 O THR A 95 14.999 4.956 -38.876 1.00 53.40 O ATOM 1403 CB THR A 95 14.136 2.281 -39.743 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.463 2.107 -40.254 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.264 1.112 -40.177 1.00 23.25 C ATOM 0 H THR A 95 13.571 2.745 -42.148 1.00 3.02 H new ATOM 0 HA THR A 95 12.641 3.835 -39.682 1.00 45.00 H new ATOM 0 HB THR A 95 14.167 2.308 -38.654 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.829 1.257 -39.931 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.697 0.180 -39.813 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.263 1.232 -39.764 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.207 1.085 -41.265 1.00 23.25 H new ATOM 1413 N SER A 96 14.954 5.407 -41.081 1.00 4.44 N ATOM 1414 CA SER A 96 15.926 6.490 -40.992 1.00 60.11 C ATOM 1415 C SER A 96 15.229 7.827 -40.760 1.00 71.41 C ATOM 1416 O SER A 96 15.871 8.826 -40.434 1.00 10.54 O ATOM 1417 CB SER A 96 16.767 6.555 -42.268 1.00 33.34 C ATOM 1418 OG SER A 96 17.728 7.593 -42.192 1.00 54.01 O ATOM 0 H SER A 96 14.606 5.229 -42.023 1.00 4.44 H new ATOM 0 HA SER A 96 16.581 6.289 -40.144 1.00 60.11 H new ATOM 0 HB2 SER A 96 17.269 5.601 -42.425 1.00 33.34 H new ATOM 0 HB3 SER A 96 16.117 6.719 -43.128 1.00 33.34 H new ATOM 0 HG SER A 96 17.387 8.313 -41.622 1.00 54.01 H new ATOM 1424 N ARG A 97 13.911 7.837 -40.929 1.00 14.14 N ATOM 1425 CA ARG A 97 13.126 9.052 -40.739 1.00 44.44 C ATOM 1426 C ARG A 97 12.152 8.894 -39.575 1.00 41.24 C ATOM 1427 O ARG A 97 11.462 7.879 -39.463 1.00 64.24 O ATOM 1428 CB ARG A 97 12.358 9.393 -42.018 1.00 70.20 C ATOM 1429 CG ARG A 97 11.935 10.850 -42.103 1.00 33.41 C ATOM 1430 CD ARG A 97 10.503 11.044 -41.627 1.00 21.13 C ATOM 1431 NE ARG A 97 10.301 12.357 -41.023 1.00 44.32 N ATOM 1432 CZ ARG A 97 10.246 13.487 -41.720 1.00 45.23 C ATOM 1433 NH1 ARG A 97 10.376 13.463 -43.039 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 10.058 14.644 -41.097 1.00 33.05 N ATOM 0 H ARG A 97 13.364 7.019 -41.197 1.00 14.14 H new ATOM 0 HA ARG A 97 13.813 9.866 -40.507 1.00 44.44 H new ATOM 0 HB2 ARG A 97 12.980 9.153 -42.880 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.471 8.762 -42.079 1.00 70.20 H new ATOM 0 HG2 ARG A 97 12.606 11.461 -41.499 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.028 11.197 -43.132 1.00 33.41 H new ATOM 0 HD2 ARG A 97 9.822 10.924 -42.469 1.00 21.13 H new ATOM 0 HD3 ARG A 97 10.254 10.269 -40.902 1.00 21.13 H new ATOM 0 HE ARG A 97 10.196 12.410 -40.010 1.00 44.32 H new ATOM 0 HH11 ARG A 97 10.519 12.576 -43.521 1.00 54.10 H new ATOM 0 HH12 ARG A 97 10.333 14.332 -43.572 1.00 54.10 H new ATOM 0 HH21 ARG A 97 9.956 14.666 -40.082 1.00 33.05 H new ATOM 0 HH22 ARG A 97 10.016 15.511 -41.633 1.00 33.05 H new ATOM 1448 N LEU A 98 12.103 9.901 -38.711 1.00 2.12 N ATOM 1449 CA LEU A 98 11.214 9.875 -37.554 1.00 73.45 C ATOM 1450 C LEU A 98 11.339 11.160 -36.743 1.00 21.34 C ATOM 1451 O LEU A 98 12.097 12.060 -37.098 1.00 13.34 O ATOM 1452 CB LEU A 98 11.532 8.667 -36.671 1.00 23.22 C ATOM 1453 CG LEU A 98 13.013 8.410 -36.391 1.00 64.21 C ATOM 1454 CD1 LEU A 98 13.560 9.446 -35.421 1.00 54.22 C ATOM 1455 CD2 LEU A 98 13.217 7.005 -35.844 1.00 44.21 C ATOM 0 H LEU A 98 12.668 10.746 -38.789 1.00 2.12 H new ATOM 0 HA LEU A 98 10.189 9.794 -37.915 1.00 73.45 H new ATOM 0 HB2 LEU A 98 11.020 8.795 -35.717 1.00 23.22 H new ATOM 0 HB3 LEU A 98 11.112 7.778 -37.142 1.00 23.22 H new ATOM 0 HG LEU A 98 13.561 8.496 -37.330 1.00 64.21 H new ATOM 0 HD11 LEU A 98 14.615 9.247 -35.233 1.00 54.22 H new ATOM 0 HD12 LEU A 98 13.449 10.441 -35.851 1.00 54.22 H new ATOM 0 HD13 LEU A 98 13.008 9.393 -34.482 1.00 54.22 H new ATOM 0 HD21 LEU A 98 14.277 6.840 -35.651 1.00 44.21 H new ATOM 0 HD22 LEU A 98 12.657 6.891 -34.916 1.00 44.21 H new ATOM 0 HD23 LEU A 98 12.863 6.276 -36.573 1.00 44.21 H new ATOM 1467 N GLY A 99 10.587 11.237 -35.648 1.00 65.55 N ATOM 1468 CA GLY A 99 10.629 12.415 -34.802 1.00 71.01 C ATOM 1469 C GLY A 99 11.692 12.318 -33.724 1.00 52.33 C ATOM 1470 O GLY A 99 12.833 11.949 -34.000 1.00 62.04 O ATOM 0 H GLY A 99 9.950 10.505 -35.333 1.00 65.55 H new ATOM 0 HA2 GLY A 99 10.820 13.294 -35.418 1.00 71.01 H new ATOM 0 HA3 GLY A 99 9.655 12.558 -34.335 1.00 71.01 H new ATOM 1474 N CYS A 100 11.317 12.652 -32.494 1.00 23.20 N ATOM 1475 CA CYS A 100 12.246 12.601 -31.371 1.00 42.23 C ATOM 1476 C CYS A 100 11.533 12.172 -30.093 1.00 61.43 C ATOM 1477 O CYS A 100 12.051 11.364 -29.323 1.00 22.54 O ATOM 1478 CB CYS A 100 12.903 13.968 -31.167 1.00 12.14 C ATOM 1479 SG CYS A 100 13.899 14.534 -32.583 1.00 33.11 S ATOM 0 H CYS A 100 10.376 12.961 -32.249 1.00 23.20 H new ATOM 0 HA CYS A 100 13.015 11.864 -31.600 1.00 42.23 H new ATOM 0 HB2 CYS A 100 12.126 14.706 -30.965 1.00 12.14 H new ATOM 0 HB3 CYS A 100 13.539 13.925 -30.283 1.00 12.14 H new ATOM 0 HG CYS A 100 13.831 13.656 -33.540 1.00 33.11 H new ATOM 1484 N GLN A 101 10.340 12.717 -29.875 1.00 51.23 N ATOM 1485 CA GLN A 101 9.556 12.390 -28.691 1.00 32.50 C ATOM 1486 C GLN A 101 9.235 10.899 -28.645 1.00 24.44 C ATOM 1487 O GLN A 101 8.328 10.427 -29.330 1.00 62.34 O ATOM 1488 CB GLN A 101 8.260 13.203 -28.670 1.00 54.33 C ATOM 1489 CG GLN A 101 8.436 14.615 -28.134 1.00 51.15 C ATOM 1490 CD GLN A 101 7.115 15.279 -27.797 1.00 64.22 C ATOM 1491 OE1 GLN A 101 6.322 15.593 -28.685 1.00 14.41 O ATOM 1492 NE2 GLN A 101 6.873 15.498 -26.511 1.00 64.44 N ATOM 0 H GLN A 101 9.896 13.387 -30.503 1.00 51.23 H new ATOM 0 HA GLN A 101 10.150 12.643 -27.813 1.00 32.50 H new ATOM 0 HB2 GLN A 101 7.857 13.255 -29.681 1.00 54.33 H new ATOM 0 HB3 GLN A 101 7.523 12.681 -28.060 1.00 54.33 H new ATOM 0 HG2 GLN A 101 9.062 14.586 -27.242 1.00 51.15 H new ATOM 0 HG3 GLN A 101 8.963 15.218 -28.874 1.00 51.15 H new ATOM 0 HE21 GLN A 101 7.559 15.221 -25.809 1.00 64.44 H new ATOM 0 HE22 GLN A 101 6.001 15.943 -26.225 1.00 64.44 H new ATOM 1501 N LEU A 102 9.986 10.164 -27.832 1.00 65.25 N ATOM 1502 CA LEU A 102 9.782 8.726 -27.696 1.00 63.32 C ATOM 1503 C LEU A 102 9.808 8.308 -26.230 1.00 43.03 C ATOM 1504 O LEU A 102 10.752 8.616 -25.502 1.00 43.45 O ATOM 1505 CB LEU A 102 10.856 7.962 -28.475 1.00 54.24 C ATOM 1506 CG LEU A 102 10.506 7.594 -29.916 1.00 12.13 C ATOM 1507 CD1 LEU A 102 9.263 6.718 -29.957 1.00 65.13 C ATOM 1508 CD2 LEU A 102 10.304 8.849 -30.753 1.00 5.14 C ATOM 0 H LEU A 102 10.741 10.540 -27.258 1.00 65.25 H new ATOM 0 HA LEU A 102 8.802 8.483 -28.106 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.765 8.563 -28.485 1.00 54.24 H new ATOM 0 HB3 LEU A 102 11.086 7.045 -27.933 1.00 54.24 H new ATOM 0 HG LEU A 102 11.337 7.029 -30.338 1.00 12.13 H new ATOM 0 HD11 LEU A 102 9.029 6.466 -30.991 1.00 65.13 H new ATOM 0 HD12 LEU A 102 9.444 5.803 -29.393 1.00 65.13 H new ATOM 0 HD13 LEU A 102 8.424 7.256 -29.516 1.00 65.13 H new ATOM 0 HD21 LEU A 102 10.055 8.568 -31.776 1.00 5.14 H new ATOM 0 HD22 LEU A 102 9.491 9.440 -30.332 1.00 5.14 H new ATOM 0 HD23 LEU A 102 11.221 9.439 -30.751 1.00 5.14 H new ATOM 1520 N ARG A 103 8.766 7.602 -25.802 1.00 52.25 N ATOM 1521 CA ARG A 103 8.670 7.142 -24.422 1.00 12.23 C ATOM 1522 C ARG A 103 9.425 5.829 -24.233 1.00 22.20 C ATOM 1523 O ARG A 103 9.839 5.193 -25.203 1.00 3.34 O ATOM 1524 CB ARG A 103 7.205 6.961 -24.023 1.00 33.05 C ATOM 1525 CG ARG A 103 6.586 8.199 -23.395 1.00 62.04 C ATOM 1526 CD ARG A 103 5.563 7.833 -22.332 1.00 70.21 C ATOM 1527 NE ARG A 103 4.245 7.576 -22.906 1.00 53.42 N ATOM 1528 CZ ARG A 103 3.470 8.525 -23.422 1.00 21.50 C ATOM 1529 NH1 ARG A 103 3.880 9.786 -23.435 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 2.283 8.213 -23.926 1.00 43.51 N ATOM 0 H ARG A 103 7.977 7.336 -26.391 1.00 52.25 H new ATOM 0 HA ARG A 103 9.123 7.898 -23.781 1.00 12.23 H new ATOM 0 HB2 ARG A 103 6.628 6.685 -24.906 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.129 6.131 -23.320 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.369 8.813 -22.951 1.00 62.04 H new ATOM 0 HG3 ARG A 103 6.109 8.801 -24.169 1.00 62.04 H new ATOM 0 HD2 ARG A 103 5.902 6.949 -21.792 1.00 70.21 H new ATOM 0 HD3 ARG A 103 5.490 8.642 -21.605 1.00 70.21 H new ATOM 0 HE ARG A 103 3.900 6.616 -22.911 1.00 53.42 H new ATOM 0 HH11 ARG A 103 4.792 10.030 -23.049 1.00 52.01 H new ATOM 0 HH12 ARG A 103 3.283 10.512 -23.832 1.00 52.01 H new ATOM 0 HH21 ARG A 103 1.964 7.244 -23.918 1.00 43.51 H new ATOM 0 HH22 ARG A 103 1.689 8.942 -24.322 1.00 43.51 H new ATOM 1544 N VAL A 104 9.602 5.429 -22.978 1.00 21.01 N ATOM 1545 CA VAL A 104 10.307 4.193 -22.661 1.00 23.15 C ATOM 1546 C VAL A 104 9.330 3.082 -22.296 1.00 51.50 C ATOM 1547 O VAL A 104 8.574 3.197 -21.331 1.00 20.41 O ATOM 1548 CB VAL A 104 11.298 4.393 -21.499 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.031 3.096 -21.192 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.281 5.508 -21.824 1.00 72.24 C ATOM 0 H VAL A 104 9.267 5.943 -22.164 1.00 21.01 H new ATOM 0 HA VAL A 104 10.861 3.907 -23.555 1.00 23.15 H new ATOM 0 HB VAL A 104 10.736 4.682 -20.611 1.00 3.52 H new ATOM 0 HG11 VAL A 104 12.727 3.257 -20.368 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.310 2.328 -20.913 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.583 2.772 -22.075 1.00 0.25 H new ATOM 0 HG21 VAL A 104 12.974 5.636 -20.992 1.00 72.24 H new ATOM 0 HG22 VAL A 104 12.839 5.251 -22.725 1.00 72.24 H new ATOM 0 HG23 VAL A 104 11.736 6.437 -21.988 1.00 72.24 H new ATOM 1560 N ASP A 105 9.350 2.004 -23.073 1.00 71.13 N ATOM 1561 CA ASP A 105 8.467 0.870 -22.830 1.00 40.04 C ATOM 1562 C ASP A 105 9.225 -0.448 -22.965 1.00 72.04 C ATOM 1563 O ASP A 105 10.387 -0.469 -23.370 1.00 10.30 O ATOM 1564 CB ASP A 105 7.288 0.897 -23.804 1.00 44.20 C ATOM 1565 CG ASP A 105 6.799 2.304 -24.082 1.00 65.14 C ATOM 1566 OD1 ASP A 105 7.055 2.812 -25.194 1.00 23.23 O ATOM 1567 OD2 ASP A 105 6.159 2.897 -23.189 1.00 33.31 O1- ATOM 0 H ASP A 105 9.968 1.892 -23.876 1.00 71.13 H new ATOM 0 HA ASP A 105 8.088 0.948 -21.811 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.584 0.427 -24.742 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.469 0.305 -23.395 1.00 44.20 H new ATOM 1572 N LYS A 106 8.558 -1.545 -22.624 1.00 24.41 N ATOM 1573 CA LYS A 106 9.167 -2.868 -22.706 1.00 72.51 C ATOM 1574 C LYS A 106 9.596 -3.180 -24.136 1.00 64.01 C ATOM 1575 O LYS A 106 10.555 -3.919 -24.359 1.00 34.22 O ATOM 1576 CB LYS A 106 8.189 -3.934 -22.211 1.00 13.33 C ATOM 1577 CG LYS A 106 7.146 -4.330 -23.243 1.00 33.41 C ATOM 1578 CD LYS A 106 6.104 -3.238 -23.429 1.00 30.24 C ATOM 1579 CE LYS A 106 5.319 -2.993 -22.150 1.00 13.42 C ATOM 1580 NZ LYS A 106 4.782 -4.258 -21.578 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.595 -1.545 -22.288 1.00 24.41 H new ATOM 0 HA LYS A 106 10.052 -2.874 -22.070 1.00 72.51 H new ATOM 0 HB2 LYS A 106 8.750 -4.820 -21.915 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.683 -3.565 -21.319 1.00 13.33 H new ATOM 0 HG2 LYS A 106 7.634 -4.534 -24.196 1.00 33.41 H new ATOM 0 HG3 LYS A 106 6.656 -5.253 -22.931 1.00 33.41 H new ATOM 0 HD2 LYS A 106 6.594 -2.315 -23.739 1.00 30.24 H new ATOM 0 HD3 LYS A 106 5.419 -3.519 -24.229 1.00 30.24 H new ATOM 0 HE2 LYS A 106 5.962 -2.507 -21.416 1.00 13.42 H new ATOM 0 HE3 LYS A 106 4.496 -2.309 -22.355 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 4.067 -4.037 -20.856 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 4.347 -4.824 -22.334 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 5.557 -4.799 -21.143 1.00 24.12 H new ATOM 1594 N SER A 107 8.879 -2.613 -25.101 1.00 1.32 N ATOM 1595 CA SER A 107 9.185 -2.835 -26.510 1.00 32.25 C ATOM 1596 C SER A 107 10.542 -2.241 -26.871 1.00 64.51 C ATOM 1597 O SER A 107 11.173 -2.651 -27.846 1.00 35.32 O ATOM 1598 CB SER A 107 8.096 -2.220 -27.392 1.00 25.21 C ATOM 1599 OG SER A 107 6.804 -2.551 -26.913 1.00 60.12 O ATOM 0 H SER A 107 8.083 -1.997 -24.934 1.00 1.32 H new ATOM 0 HA SER A 107 9.221 -3.910 -26.684 1.00 32.25 H new ATOM 0 HB2 SER A 107 8.212 -1.136 -27.416 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.210 -2.575 -28.416 1.00 25.21 H new ATOM 0 HG SER A 107 6.126 -2.145 -27.493 1.00 60.12 H new ATOM 1605 N PHE A 108 10.987 -1.272 -26.078 1.00 54.12 N ATOM 1606 CA PHE A 108 12.269 -0.619 -26.314 1.00 31.34 C ATOM 1607 C PHE A 108 13.416 -1.454 -25.751 1.00 52.43 C ATOM 1608 O PHE A 108 14.582 -1.073 -25.851 1.00 20.31 O ATOM 1609 CB PHE A 108 12.281 0.774 -25.683 1.00 33.33 C ATOM 1610 CG PHE A 108 11.739 1.846 -26.585 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.325 3.102 -26.621 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.645 1.598 -27.398 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.829 4.089 -27.451 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.145 2.581 -28.230 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.737 3.829 -28.256 1.00 71.21 C ATOM 0 H PHE A 108 10.479 -0.922 -25.266 1.00 54.12 H new ATOM 0 HA PHE A 108 12.406 -0.523 -27.391 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.695 0.753 -24.764 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.303 1.028 -25.403 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.179 3.311 -25.993 1.00 41.10 H new ATOM 0 HD2 PHE A 108 10.177 0.625 -27.381 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.295 5.063 -27.470 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.292 2.374 -28.859 1.00 0.32 H new ATOM 0 HZ PHE A 108 10.347 4.600 -28.904 1.00 71.21 H new ATOM 1625 N GLU A 109 13.075 -2.593 -25.158 1.00 45.42 N ATOM 1626 CA GLU A 109 14.075 -3.482 -24.578 1.00 14.13 C ATOM 1627 C GLU A 109 15.112 -3.890 -25.621 1.00 53.04 C ATOM 1628 O GLU A 109 14.770 -4.429 -26.673 1.00 0.14 O ATOM 1629 CB GLU A 109 13.406 -4.728 -23.993 1.00 15.44 C ATOM 1630 CG GLU A 109 14.335 -5.576 -23.142 1.00 21.13 C ATOM 1631 CD GLU A 109 13.636 -6.775 -22.533 1.00 40.23 C ATOM 1632 OE1 GLU A 109 13.299 -7.712 -23.287 1.00 23.25 O ATOM 1633 OE2 GLU A 109 13.427 -6.778 -21.302 1.00 62.22 O1- ATOM 0 H GLU A 109 12.114 -2.922 -25.066 1.00 45.42 H new ATOM 0 HA GLU A 109 14.582 -2.942 -23.778 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.552 -4.421 -23.389 1.00 15.44 H new ATOM 0 HB3 GLU A 109 13.017 -5.338 -24.808 1.00 15.44 H new ATOM 0 HG2 GLU A 109 15.170 -5.919 -23.753 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.754 -4.961 -22.345 1.00 21.13 H new ATOM 1640 N ASN A 110 16.379 -3.627 -25.320 1.00 40.22 N ATOM 1641 CA ASN A 110 17.466 -3.965 -26.232 1.00 12.52 C ATOM 1642 C ASN A 110 17.294 -3.255 -27.571 1.00 14.11 C ATOM 1643 O ASN A 110 17.758 -3.736 -28.604 1.00 14.41 O ATOM 1644 CB ASN A 110 17.525 -5.479 -26.448 1.00 53.45 C ATOM 1645 CG ASN A 110 18.360 -6.181 -25.395 1.00 14.25 C ATOM 1646 OD1 ASN A 110 19.455 -5.731 -25.052 1.00 53.03 O ATOM 1647 ND2 ASN A 110 17.848 -7.291 -24.877 1.00 13.04 N ATOM 0 H ASN A 110 16.679 -3.181 -24.453 1.00 40.22 H new ATOM 0 HA ASN A 110 18.401 -3.632 -25.783 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.513 -5.885 -26.436 1.00 53.45 H new ATOM 0 HB3 ASN A 110 17.940 -5.687 -27.434 1.00 53.45 H new ATOM 0 HD21 ASN A 110 18.365 -7.807 -24.165 1.00 13.04 H new ATOM 0 HD22 ASN A 110 16.938 -7.627 -25.191 1.00 13.04 H new ATOM 1654 N ALA A 111 16.624 -2.107 -27.545 1.00 11.53 N ATOM 1655 CA ALA A 111 16.391 -1.330 -28.756 1.00 33.33 C ATOM 1656 C ALA A 111 17.695 -0.746 -29.291 1.00 12.12 C ATOM 1657 O ALA A 111 18.625 -0.477 -28.530 1.00 32.25 O ATOM 1658 CB ALA A 111 15.385 -0.221 -28.486 1.00 12.32 C ATOM 0 H ALA A 111 16.233 -1.695 -26.698 1.00 11.53 H new ATOM 0 HA ALA A 111 15.983 -1.998 -29.515 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.221 0.351 -29.399 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.442 -0.657 -28.156 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.771 0.439 -27.709 1.00 12.32 H new ATOM 1664 N VAL A 112 17.757 -0.552 -30.604 1.00 73.01 N ATOM 1665 CA VAL A 112 18.946 0.001 -31.241 1.00 70.21 C ATOM 1666 C VAL A 112 18.646 1.348 -31.891 1.00 23.10 C ATOM 1667 O VAL A 112 17.786 1.449 -32.766 1.00 15.11 O ATOM 1668 CB VAL A 112 19.508 -0.957 -32.307 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.839 -0.445 -32.837 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.656 -2.360 -31.737 1.00 42.04 C ATOM 0 H VAL A 112 16.997 -0.770 -31.248 1.00 73.01 H new ATOM 0 HA VAL A 112 19.691 0.137 -30.457 1.00 70.21 H new ATOM 0 HB VAL A 112 18.805 -1.000 -33.139 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.221 -1.135 -33.589 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.698 0.539 -33.285 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.553 -0.371 -32.017 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.054 -3.024 -32.504 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.338 -2.337 -30.887 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.682 -2.725 -31.411 1.00 42.04 H new ATOM 1680 N PHE A 113 19.360 2.380 -31.456 1.00 22.12 N ATOM 1681 CA PHE A 113 19.172 3.722 -31.995 1.00 61.43 C ATOM 1682 C PHE A 113 20.416 4.186 -32.747 1.00 43.11 C ATOM 1683 O PHE A 113 21.386 4.643 -32.144 1.00 11.30 O ATOM 1684 CB PHE A 113 18.846 4.706 -30.870 1.00 14.33 C ATOM 1685 CG PHE A 113 17.548 4.410 -30.172 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.442 3.335 -29.303 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.434 5.206 -30.385 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.251 3.060 -28.660 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.240 4.936 -29.745 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.148 3.862 -28.882 1.00 54.32 C ATOM 0 H PHE A 113 20.075 2.313 -30.731 1.00 22.12 H new ATOM 0 HA PHE A 113 18.337 3.691 -32.695 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.654 4.691 -30.139 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.807 5.715 -31.281 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.301 2.705 -29.127 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.500 6.047 -31.059 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.182 2.220 -27.985 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.379 5.564 -29.919 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.215 3.649 -28.381 1.00 54.32 H new ATOM 1700 N THR A 114 20.379 4.065 -34.071 1.00 30.22 N ATOM 1701 CA THR A 114 21.502 4.470 -34.906 1.00 45.33 C ATOM 1702 C THR A 114 21.359 5.921 -35.354 1.00 52.03 C ATOM 1703 O THR A 114 20.422 6.270 -36.072 1.00 43.22 O ATOM 1704 CB THR A 114 21.630 3.571 -36.151 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.988 2.241 -35.759 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.674 4.121 -37.110 1.00 73.44 C ATOM 0 H THR A 114 19.583 3.690 -34.587 1.00 30.22 H new ATOM 0 HA THR A 114 22.401 4.367 -34.298 1.00 45.33 H new ATOM 0 HB THR A 114 20.666 3.553 -36.660 1.00 73.24 H new ATOM 0 HG1 THR A 114 22.221 1.717 -36.554 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.747 3.470 -37.981 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.384 5.122 -37.429 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.641 4.166 -36.609 1.00 73.44 H new ATOM 1714 N VAL A 115 22.295 6.763 -34.927 1.00 21.22 N ATOM 1715 CA VAL A 115 22.274 8.175 -35.285 1.00 72.13 C ATOM 1716 C VAL A 115 23.386 8.508 -36.275 1.00 32.00 C ATOM 1717 O VAL A 115 24.499 8.874 -35.896 1.00 71.13 O ATOM 1718 CB VAL A 115 22.423 9.072 -34.042 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.213 10.534 -34.409 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.451 8.641 -32.955 1.00 0.35 C ATOM 0 H VAL A 115 23.078 6.491 -34.332 1.00 21.22 H new ATOM 0 HA VAL A 115 21.307 8.369 -35.750 1.00 72.13 H new ATOM 0 HB VAL A 115 23.436 8.962 -33.655 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.322 11.152 -33.518 1.00 32.02 H new ATOM 0 HG12 VAL A 115 22.953 10.833 -35.151 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.213 10.666 -34.821 1.00 32.02 H new ATOM 0 HG21 VAL A 115 21.570 9.286 -32.084 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.430 8.720 -33.328 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.655 7.608 -32.673 1.00 0.35 H new ATOM 1730 N PRO A 116 23.081 8.378 -37.574 1.00 23.44 N ATOM 1731 CA PRO A 116 24.040 8.661 -38.645 1.00 12.20 C ATOM 1732 C PRO A 116 24.352 10.149 -38.766 1.00 62.14 C ATOM 1733 O PRO A 116 25.482 10.532 -39.069 1.00 15.32 O ATOM 1734 CB PRO A 116 23.325 8.160 -39.903 1.00 2.12 C ATOM 1735 CG PRO A 116 21.875 8.235 -39.570 1.00 24.01 C ATOM 1736 CD PRO A 116 21.773 7.946 -38.097 1.00 65.44 C ATOM 0 HA PRO A 116 25.003 8.183 -38.467 1.00 12.20 H new ATOM 0 HB2 PRO A 116 23.565 8.779 -40.768 1.00 2.12 H new ATOM 0 HB3 PRO A 116 23.623 7.140 -40.148 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.471 9.220 -39.803 1.00 24.01 H new ATOM 0 HG3 PRO A 116 21.303 7.511 -40.150 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.954 8.497 -37.635 1.00 65.44 H new ATOM 0 HD3 PRO A 116 21.593 6.888 -37.906 1.00 65.44 H new ATOM 1744 N ARG A 117 23.344 10.982 -38.526 1.00 4.04 N ATOM 1745 CA ARG A 117 23.513 12.427 -38.609 1.00 23.33 C ATOM 1746 C ARG A 117 23.443 13.062 -37.224 1.00 72.14 C ATOM 1747 O ARG A 117 22.378 13.127 -36.612 1.00 53.20 O ATOM 1748 CB ARG A 117 22.441 13.036 -39.515 1.00 24.40 C ATOM 1749 CG ARG A 117 22.574 14.539 -39.693 1.00 3.30 C ATOM 1750 CD ARG A 117 21.704 15.297 -38.702 1.00 34.14 C ATOM 1751 NE ARG A 117 21.383 16.641 -39.174 1.00 31.52 N ATOM 1752 CZ ARG A 117 22.270 17.627 -39.245 1.00 33.23 C ATOM 1753 NH1 ARG A 117 23.527 17.419 -38.877 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 21.901 18.823 -39.684 1.00 55.12 N ATOM 0 H ARG A 117 22.403 10.681 -38.273 1.00 4.04 H new ATOM 0 HA ARG A 117 24.496 12.629 -39.034 1.00 23.33 H new ATOM 0 HB2 ARG A 117 22.490 12.557 -40.493 1.00 24.40 H new ATOM 0 HB3 ARG A 117 21.458 12.814 -39.100 1.00 24.40 H new ATOM 0 HG2 ARG A 117 23.616 14.831 -39.562 1.00 3.30 H new ATOM 0 HG3 ARG A 117 22.292 14.812 -40.710 1.00 3.30 H new ATOM 0 HD2 ARG A 117 20.781 14.742 -38.531 1.00 34.14 H new ATOM 0 HD3 ARG A 117 22.219 15.362 -37.743 1.00 34.14 H new ATOM 0 HE ARG A 117 20.425 16.833 -39.465 1.00 31.52 H new ATOM 0 HH11 ARG A 117 23.814 16.501 -38.539 1.00 32.32 H new ATOM 0 HH12 ARG A 117 24.207 18.177 -38.932 1.00 32.32 H new ATOM 0 HH21 ARG A 117 20.935 18.986 -39.968 1.00 55.12 H new ATOM 0 HH22 ARG A 117 22.583 19.579 -39.738 1.00 55.12 H new