USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 889 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 44 THR OG1 : rot -150:sc= 0.792 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -163:sc= 2.16 (180deg=1.13) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 172:sc= 1.44 (180deg=0.454) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.512 K(o=2,f=-1.7) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 51 SER OG : rot 142:sc= 1.67 USER MOD Set 4.2: A 126 HIS : no HE2:sc= 1.66 K(o=3.3,f=-5.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0764 USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.13) USER MOD Single : A 18 SER OG : rot 180:sc=-0.000309 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -38:sc= 0.0193 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -155:sc= 1.3 USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.12) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.497 K(o=0.5,f=-0.12) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0212 USER MOD Single : A 84 THR OG1 : rot -73:sc= 0.0108 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 140:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.503 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 29:sc= 0.841 USER MOD Single : A 111 THR OG1 : rot 120:sc= 1.03 USER MOD Single : A 120 ASN : amide:sc= -0.949 X(o=-0.95,f=-1.3) USER MOD Single : A 122 SER OG : rot -79:sc= 1.21 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 128 LYS NZ :NH3+ -158:sc= 1.32 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.003 8.136 14.764 1.00 0.00 N ATOM 172 CA GLU A 8 -5.238 7.031 13.828 1.00 0.00 C ATOM 173 C GLU A 8 -5.241 5.710 14.625 1.00 0.00 C ATOM 174 O GLU A 8 -4.371 5.465 15.464 1.00 0.00 O ATOM 175 CB GLU A 8 -4.179 7.021 12.700 1.00 0.00 C ATOM 176 CG GLU A 8 -2.755 6.735 13.199 1.00 0.00 C ATOM 177 CD GLU A 8 -1.673 7.071 12.174 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.292 6.154 11.415 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.170 8.220 12.143 1.00 0.00 O ATOM 0 HA GLU A 8 -6.204 7.157 13.340 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.454 6.269 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.191 7.986 12.193 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.575 7.309 14.108 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.677 5.681 13.467 1.00 0.00 H new ATOM 186 N SER A 9 -6.238 4.864 14.381 1.00 0.00 N ATOM 187 CA SER A 9 -6.430 3.569 15.046 1.00 0.00 C ATOM 188 C SER A 9 -6.016 2.409 14.145 1.00 0.00 C ATOM 189 O SER A 9 -6.447 2.343 12.997 1.00 0.00 O ATOM 190 CB SER A 9 -7.895 3.402 15.460 1.00 0.00 C ATOM 191 OG SER A 9 -8.209 4.290 16.524 1.00 0.00 O ATOM 0 H SER A 9 -6.962 5.064 13.691 1.00 0.00 H new ATOM 0 HA SER A 9 -5.795 3.554 15.932 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.546 3.599 14.608 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.078 2.373 15.770 1.00 0.00 H new ATOM 0 HG SER A 9 -9.148 4.176 16.779 1.00 0.00 H new ATOM 197 N VAL A 10 -5.190 1.476 14.626 1.00 0.00 N ATOM 198 CA VAL A 10 -4.669 0.367 13.801 1.00 0.00 C ATOM 199 C VAL A 10 -5.798 -0.568 13.338 1.00 0.00 C ATOM 200 O VAL A 10 -6.656 -0.968 14.128 1.00 0.00 O ATOM 201 CB VAL A 10 -3.577 -0.430 14.536 1.00 0.00 C ATOM 202 CG1 VAL A 10 -2.940 -1.507 13.643 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.436 0.463 15.047 1.00 0.00 C ATOM 0 H VAL A 10 -4.861 1.462 15.591 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.216 0.818 12.918 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.095 -0.892 15.377 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.176 -2.042 14.207 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.707 -2.209 13.316 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.485 -1.035 12.772 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.694 -0.151 15.557 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.968 0.973 14.205 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.835 1.202 15.742 1.00 0.00 H new ATOM 213 N LEU A 11 -5.760 -0.937 12.056 1.00 0.00 N ATOM 214 CA LEU A 11 -6.654 -1.900 11.402 1.00 0.00 C ATOM 215 C LEU A 11 -5.912 -3.189 11.019 1.00 0.00 C ATOM 216 O LEU A 11 -6.429 -4.288 11.224 1.00 0.00 O ATOM 217 CB LEU A 11 -7.251 -1.288 10.123 1.00 0.00 C ATOM 218 CG LEU A 11 -8.054 0.013 10.276 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.633 0.355 8.904 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.200 -0.111 11.281 1.00 0.00 C ATOM 0 H LEU A 11 -5.069 -0.553 11.411 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.443 -2.141 12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.435 -1.101 9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.900 -2.033 9.663 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.387 0.789 10.651 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.212 1.276 8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.821 0.489 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.280 -0.456 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.731 0.839 11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.889 -0.890 10.953 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.798 -0.371 12.261 1.00 0.00 H new ATOM 232 N CYS A 12 -4.702 -3.050 10.464 1.00 0.00 N ATOM 233 CA CYS A 12 -3.830 -4.154 10.066 1.00 0.00 C ATOM 234 C CYS A 12 -2.356 -3.823 10.333 1.00 0.00 C ATOM 235 O CYS A 12 -1.939 -2.665 10.315 1.00 0.00 O ATOM 236 CB CYS A 12 -4.109 -4.530 8.599 1.00 0.00 C ATOM 237 SG CYS A 12 -3.341 -6.117 8.159 1.00 0.00 S ATOM 0 H CYS A 12 -4.293 -2.135 10.275 1.00 0.00 H new ATOM 0 HA CYS A 12 -4.051 -5.030 10.676 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.185 -4.588 8.436 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.729 -3.747 7.943 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.603 -6.396 6.917 1.00 0.00 H new ATOM 243 N VAL A 13 -1.563 -4.857 10.590 1.00 0.00 N ATOM 244 CA VAL A 13 -0.117 -4.790 10.811 1.00 0.00 C ATOM 245 C VAL A 13 0.506 -6.084 10.292 1.00 0.00 C ATOM 246 O VAL A 13 0.070 -7.172 10.675 1.00 0.00 O ATOM 247 CB VAL A 13 0.201 -4.504 12.298 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.461 -5.458 13.304 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.709 -4.491 12.577 1.00 0.00 C ATOM 0 H VAL A 13 -1.923 -5.809 10.654 1.00 0.00 H new ATOM 0 HA VAL A 13 0.322 -3.959 10.259 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.229 -3.515 12.452 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.176 -5.174 14.317 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.545 -5.399 13.202 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.133 -6.479 13.108 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.882 -4.286 13.634 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.135 -5.461 12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.184 -3.716 11.975 1.00 0.00 H new ATOM 259 N LYS A 14 1.498 -5.977 9.398 1.00 0.00 N ATOM 260 CA LYS A 14 2.217 -7.146 8.843 1.00 0.00 C ATOM 261 C LYS A 14 3.739 -7.101 9.042 1.00 0.00 C ATOM 262 O LYS A 14 4.340 -6.036 8.882 1.00 0.00 O ATOM 263 CB LYS A 14 1.832 -7.435 7.377 1.00 0.00 C ATOM 264 CG LYS A 14 0.406 -7.981 7.215 1.00 0.00 C ATOM 265 CD LYS A 14 0.233 -9.366 7.859 1.00 0.00 C ATOM 266 CE LYS A 14 -1.170 -9.871 7.557 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.426 -11.202 8.160 1.00 0.00 N ATOM 0 H LYS A 14 1.829 -5.083 9.036 1.00 0.00 H new ATOM 0 HA LYS A 14 1.874 -7.992 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.930 -6.518 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.537 -8.153 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.301 -7.283 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.162 -8.043 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.977 -10.060 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.389 -9.304 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.901 -9.156 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.309 -9.930 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.437 -11.432 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.864 -11.922 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.157 -11.186 9.164 1.00 0.00 H new ATOM 281 N PRO A 15 4.358 -8.255 9.370 1.00 0.00 N ATOM 282 CA PRO A 15 5.735 -8.351 9.869 1.00 0.00 C ATOM 283 C PRO A 15 6.818 -8.099 8.808 1.00 0.00 C ATOM 284 O PRO A 15 7.912 -7.649 9.152 1.00 0.00 O ATOM 285 CB PRO A 15 5.848 -9.777 10.429 1.00 0.00 C ATOM 286 CG PRO A 15 4.828 -10.577 9.614 1.00 0.00 C ATOM 287 CD PRO A 15 3.715 -9.565 9.439 1.00 0.00 C ATOM 0 HA PRO A 15 5.913 -7.572 10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.856 -10.175 10.308 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.619 -9.807 11.494 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.236 -10.907 8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.491 -11.469 10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.145 -9.767 8.532 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.014 -9.610 10.272 1.00 0.00 H new ATOM 295 N ASP A 16 6.533 -8.400 7.539 1.00 0.00 N ATOM 296 CA ASP A 16 7.485 -8.311 6.428 1.00 0.00 C ATOM 297 C ASP A 16 6.762 -7.920 5.126 1.00 0.00 C ATOM 298 O ASP A 16 5.815 -8.587 4.700 1.00 0.00 O ATOM 299 CB ASP A 16 8.225 -9.653 6.305 1.00 0.00 C ATOM 300 CG ASP A 16 9.313 -9.645 5.222 1.00 0.00 C ATOM 301 OD1 ASP A 16 10.086 -8.662 5.156 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.426 -10.642 4.472 1.00 0.00 O ATOM 0 H ASP A 16 5.610 -8.721 7.248 1.00 0.00 H new ATOM 0 HA ASP A 16 8.219 -7.529 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.678 -9.900 7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.504 -10.439 6.081 1.00 0.00 H new ATOM 307 N VAL A 17 7.194 -6.821 4.506 1.00 0.00 N ATOM 308 CA VAL A 17 6.612 -6.230 3.289 1.00 0.00 C ATOM 309 C VAL A 17 7.726 -5.543 2.491 1.00 0.00 C ATOM 310 O VAL A 17 8.662 -4.998 3.083 1.00 0.00 O ATOM 311 CB VAL A 17 5.463 -5.255 3.640 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.900 -4.038 4.463 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.726 -4.764 2.390 1.00 0.00 C ATOM 0 H VAL A 17 7.995 -6.291 4.850 1.00 0.00 H new ATOM 0 HA VAL A 17 6.173 -7.014 2.672 1.00 0.00 H new ATOM 0 HB VAL A 17 4.792 -5.849 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.035 -3.406 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.334 -4.373 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.642 -3.468 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.928 -4.082 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.426 -4.244 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.299 -5.616 1.861 1.00 0.00 H new ATOM 323 N SER A 18 7.641 -5.568 1.159 1.00 0.00 N ATOM 324 CA SER A 18 8.682 -5.051 0.261 1.00 0.00 C ATOM 325 C SER A 18 8.113 -4.048 -0.747 1.00 0.00 C ATOM 326 O SER A 18 7.023 -4.236 -1.283 1.00 0.00 O ATOM 327 CB SER A 18 9.385 -6.204 -0.464 1.00 0.00 C ATOM 328 OG SER A 18 9.855 -7.190 0.440 1.00 0.00 O ATOM 0 H SER A 18 6.836 -5.953 0.665 1.00 0.00 H new ATOM 0 HA SER A 18 9.413 -4.522 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.695 -6.661 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.222 -5.813 -1.042 1.00 0.00 H new ATOM 0 HG SER A 18 10.295 -7.909 -0.060 1.00 0.00 H new ATOM 334 N VAL A 19 8.855 -2.980 -1.034 1.00 0.00 N ATOM 335 CA VAL A 19 8.479 -1.913 -1.974 1.00 0.00 C ATOM 336 C VAL A 19 9.474 -1.851 -3.125 1.00 0.00 C ATOM 337 O VAL A 19 10.691 -1.859 -2.927 1.00 0.00 O ATOM 338 CB VAL A 19 8.317 -0.561 -1.258 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.141 0.602 -2.240 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.079 -0.621 -0.355 1.00 0.00 C ATOM 0 H VAL A 19 9.768 -2.824 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 19 7.503 -2.149 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 19 9.226 -0.384 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.031 1.533 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.015 0.667 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.251 0.434 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.956 0.333 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.196 -0.824 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.204 -1.415 0.382 1.00 0.00 H new ATOM 350 N TYR A 20 8.930 -1.796 -4.338 1.00 0.00 N ATOM 351 CA TYR A 20 9.673 -2.014 -5.588 1.00 0.00 C ATOM 352 C TYR A 20 9.913 -0.733 -6.406 1.00 0.00 C ATOM 353 O TYR A 20 10.833 -0.692 -7.226 1.00 0.00 O ATOM 354 CB TYR A 20 8.942 -3.100 -6.400 1.00 0.00 C ATOM 355 CG TYR A 20 8.941 -4.485 -5.756 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.709 -5.522 -6.319 1.00 0.00 C ATOM 357 CD2 TYR A 20 8.183 -4.745 -4.596 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.736 -6.800 -5.724 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.248 -6.004 -3.973 1.00 0.00 C ATOM 360 CZ TYR A 20 9.015 -7.039 -4.537 1.00 0.00 C ATOM 361 OH TYR A 20 9.050 -8.257 -3.930 1.00 0.00 O ATOM 0 H TYR A 20 7.941 -1.595 -4.488 1.00 0.00 H new ATOM 0 HA TYR A 20 10.678 -2.350 -5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.910 -2.786 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.405 -3.172 -7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.283 -5.337 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.549 -3.974 -4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.309 -7.595 -6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.705 -6.177 -3.055 1.00 0.00 H new ATOM 0 HH TYR A 20 8.494 -8.237 -3.123 1.00 0.00 H new ATOM 371 N ARG A 21 9.122 0.311 -6.118 1.00 0.00 N ATOM 372 CA ARG A 21 8.957 1.594 -6.848 1.00 0.00 C ATOM 373 C ARG A 21 8.558 1.437 -8.328 1.00 0.00 C ATOM 374 O ARG A 21 8.956 0.486 -8.998 1.00 0.00 O ATOM 375 CB ARG A 21 10.193 2.503 -6.703 1.00 0.00 C ATOM 376 CG ARG A 21 10.661 2.702 -5.253 1.00 0.00 C ATOM 377 CD ARG A 21 11.762 3.766 -5.203 1.00 0.00 C ATOM 378 NE ARG A 21 12.519 3.696 -3.944 1.00 0.00 N ATOM 379 CZ ARG A 21 12.465 4.469 -2.880 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.300 4.221 -1.918 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.626 5.458 -2.753 1.00 0.00 N ATOM 0 H ARG A 21 8.523 0.284 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 21 8.111 2.080 -6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.013 2.078 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.967 3.477 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.821 3.006 -4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.034 1.761 -4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.440 3.630 -6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.318 4.756 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 21 13.190 2.930 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.964 3.452 -2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.292 4.796 -1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.966 5.666 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.630 6.024 -1.905 1.00 0.00 H new ATOM 395 N ILE A 22 7.755 2.376 -8.844 1.00 0.00 N ATOM 396 CA ILE A 22 7.205 2.304 -10.219 1.00 0.00 C ATOM 397 C ILE A 22 7.326 3.633 -10.996 1.00 0.00 C ATOM 398 O ILE A 22 7.059 4.693 -10.422 1.00 0.00 O ATOM 399 CB ILE A 22 5.750 1.772 -10.216 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.732 2.792 -9.665 1.00 0.00 C ATOM 401 CG2 ILE A 22 5.689 0.434 -9.471 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.329 2.233 -9.434 1.00 0.00 C ATOM 0 H ILE A 22 7.464 3.207 -8.329 1.00 0.00 H new ATOM 0 HA ILE A 22 7.825 1.588 -10.758 1.00 0.00 H new ATOM 0 HB ILE A 22 5.455 1.610 -11.253 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.110 3.189 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.665 3.629 -10.360 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.664 0.064 -9.471 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.336 -0.289 -9.968 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.024 0.574 -8.443 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.683 3.021 -9.047 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.925 1.863 -10.376 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.377 1.416 -8.714 1.00 0.00 H new ATOM 414 N PRO A 23 7.684 3.608 -12.299 1.00 0.00 N ATOM 415 CA PRO A 23 7.656 4.798 -13.151 1.00 0.00 C ATOM 416 C PRO A 23 6.261 5.292 -13.619 1.00 0.00 C ATOM 417 O PRO A 23 6.081 6.514 -13.653 1.00 0.00 O ATOM 418 CB PRO A 23 8.616 4.515 -14.313 1.00 0.00 C ATOM 419 CG PRO A 23 8.792 2.997 -14.350 1.00 0.00 C ATOM 420 CD PRO A 23 8.386 2.511 -12.959 1.00 0.00 C ATOM 0 HA PRO A 23 7.975 5.651 -12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.209 4.884 -15.254 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.572 5.016 -14.161 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.167 2.547 -15.122 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.823 2.726 -14.576 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.744 1.633 -13.032 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.264 2.217 -12.384 1.00 0.00 H new ATOM 428 N PRO A 24 5.265 4.448 -13.982 1.00 0.00 N ATOM 429 CA PRO A 24 3.977 4.923 -14.499 1.00 0.00 C ATOM 430 C PRO A 24 3.012 5.402 -13.400 1.00 0.00 C ATOM 431 O PRO A 24 3.049 4.934 -12.260 1.00 0.00 O ATOM 432 CB PRO A 24 3.388 3.744 -15.283 1.00 0.00 C ATOM 433 CG PRO A 24 3.922 2.536 -14.519 1.00 0.00 C ATOM 434 CD PRO A 24 5.320 2.998 -14.114 1.00 0.00 C ATOM 0 HA PRO A 24 4.127 5.803 -15.124 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.298 3.768 -15.293 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.716 3.744 -16.322 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.305 2.298 -13.652 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.954 1.642 -15.142 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.622 2.536 -13.174 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.055 2.706 -14.864 1.00 0.00 H new ATOM 525 N GLY A 30 -4.264 -0.757 -15.714 1.00 0.00 N ATOM 526 CA GLY A 30 -4.074 -0.333 -14.324 1.00 0.00 C ATOM 527 C GLY A 30 -2.622 0.067 -14.076 1.00 0.00 C ATOM 528 O GLY A 30 -2.230 1.195 -14.371 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.731 0.508 -14.102 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.354 -1.143 -13.650 1.00 0.00 H new ATOM 532 N TYR A 31 -1.807 -0.875 -13.593 1.00 0.00 N ATOM 533 CA TYR A 31 -0.352 -0.709 -13.446 1.00 0.00 C ATOM 534 C TYR A 31 0.477 -1.904 -13.922 1.00 0.00 C ATOM 535 O TYR A 31 1.576 -1.683 -14.421 1.00 0.00 O ATOM 536 CB TYR A 31 -0.003 -0.446 -11.981 1.00 0.00 C ATOM 537 CG TYR A 31 -0.417 0.912 -11.480 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.460 2.003 -11.640 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.645 1.067 -10.810 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.122 3.250 -11.083 1.00 0.00 C ATOM 541 CE2 TYR A 31 -1.990 2.318 -10.268 1.00 0.00 C ATOM 542 CZ TYR A 31 -1.102 3.410 -10.389 1.00 0.00 C ATOM 543 OH TYR A 31 -1.421 4.594 -9.800 1.00 0.00 O ATOM 0 H TYR A 31 -2.141 -1.789 -13.288 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.096 0.135 -14.086 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.478 -1.208 -11.364 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.074 -0.556 -11.851 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.384 1.883 -12.186 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.319 0.229 -10.713 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.797 4.087 -11.185 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.934 2.444 -9.759 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.299 4.520 -9.371 1.00 0.00 H new ATOM 553 N ARG A 32 -0.037 -3.133 -13.751 1.00 0.00 N ATOM 554 CA ARG A 32 0.576 -4.446 -13.985 1.00 0.00 C ATOM 555 C ARG A 32 1.999 -4.594 -13.418 1.00 0.00 C ATOM 556 O ARG A 32 2.961 -4.108 -14.002 1.00 0.00 O ATOM 557 CB ARG A 32 0.457 -4.880 -15.465 1.00 0.00 C ATOM 558 CG ARG A 32 -0.540 -4.150 -16.399 1.00 0.00 C ATOM 559 CD ARG A 32 0.130 -3.117 -17.312 1.00 0.00 C ATOM 560 NE ARG A 32 0.877 -3.783 -18.399 1.00 0.00 N ATOM 561 CZ ARG A 32 1.879 -3.263 -19.080 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.646 -4.010 -19.818 1.00 0.00 N ATOM 563 NH2 ARG A 32 2.163 -2.000 -19.026 1.00 0.00 N ATOM 0 H ARG A 32 -0.992 -3.239 -13.410 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.011 -5.153 -13.399 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.447 -4.791 -15.912 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.197 -5.939 -15.474 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.057 -4.887 -17.014 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.297 -3.652 -15.793 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.626 -2.456 -17.736 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.807 -2.494 -16.728 1.00 0.00 H new ATOM 0 HE ARG A 32 0.592 -4.731 -18.645 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.477 -5.014 -19.876 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.417 -3.592 -20.339 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.604 -1.376 -18.444 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.945 -1.630 -19.566 1.00 0.00 H new ATOM 577 N ALA A 33 2.160 -5.354 -12.329 1.00 0.00 N ATOM 578 CA ALA A 33 3.466 -5.591 -11.689 1.00 0.00 C ATOM 579 C ALA A 33 4.545 -6.148 -12.640 1.00 0.00 C ATOM 580 O ALA A 33 5.734 -5.914 -12.439 1.00 0.00 O ATOM 581 CB ALA A 33 3.268 -6.535 -10.499 1.00 0.00 C ATOM 0 H ALA A 33 1.386 -5.826 -11.862 1.00 0.00 H new ATOM 0 HA ALA A 33 3.841 -4.621 -11.363 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.228 -6.718 -10.016 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.583 -6.080 -9.783 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.852 -7.480 -10.849 1.00 0.00 H new ATOM 587 N SER A 34 4.121 -6.847 -13.700 1.00 0.00 N ATOM 588 CA SER A 34 4.986 -7.389 -14.754 1.00 0.00 C ATOM 589 C SER A 34 5.569 -6.322 -15.710 1.00 0.00 C ATOM 590 O SER A 34 6.502 -6.623 -16.455 1.00 0.00 O ATOM 591 CB SER A 34 4.181 -8.439 -15.531 1.00 0.00 C ATOM 592 OG SER A 34 5.038 -9.317 -16.238 1.00 0.00 O ATOM 0 H SER A 34 3.135 -7.057 -13.852 1.00 0.00 H new ATOM 0 HA SER A 34 5.858 -7.833 -14.274 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.560 -9.010 -14.841 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.508 -7.942 -16.229 1.00 0.00 H new ATOM 0 HG SER A 34 5.796 -8.813 -16.601 1.00 0.00 H new ATOM 598 N ASP A 35 5.054 -5.083 -15.712 1.00 0.00 N ATOM 599 CA ASP A 35 5.607 -3.965 -16.500 1.00 0.00 C ATOM 600 C ASP A 35 6.880 -3.368 -15.874 1.00 0.00 C ATOM 601 O ASP A 35 7.831 -3.021 -16.580 1.00 0.00 O ATOM 602 CB ASP A 35 4.540 -2.872 -16.630 1.00 0.00 C ATOM 603 CG ASP A 35 5.003 -1.730 -17.551 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.931 -1.892 -18.795 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.406 -0.661 -17.038 1.00 0.00 O ATOM 0 H ASP A 35 4.235 -4.824 -15.163 1.00 0.00 H new ATOM 0 HA ASP A 35 5.886 -4.357 -17.478 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.621 -3.306 -17.023 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.307 -2.472 -15.643 1.00 0.00 H new ATOM 610 N TRP A 36 6.892 -3.272 -14.544 1.00 0.00 N ATOM 611 CA TRP A 36 7.978 -2.746 -13.710 1.00 0.00 C ATOM 612 C TRP A 36 8.710 -3.893 -12.977 1.00 0.00 C ATOM 613 O TRP A 36 8.652 -5.052 -13.400 1.00 0.00 O ATOM 614 CB TRP A 36 7.422 -1.615 -12.814 1.00 0.00 C ATOM 615 CG TRP A 36 5.971 -1.665 -12.444 1.00 0.00 C ATOM 616 CD1 TRP A 36 4.979 -1.094 -13.163 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.325 -2.250 -11.271 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.770 -1.313 -12.548 1.00 0.00 N ATOM 619 CE2 TRP A 36 3.932 -1.943 -11.333 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.779 -2.946 -10.127 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.049 -2.264 -10.293 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.896 -3.283 -9.081 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.536 -2.930 -9.155 1.00 0.00 C ATOM 0 H TRP A 36 6.096 -3.578 -13.984 1.00 0.00 H new ATOM 0 HA TRP A 36 8.759 -2.285 -14.315 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.002 -1.603 -11.891 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.606 -0.667 -13.319 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.116 -0.547 -14.084 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.868 -1.044 -12.941 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.820 -3.224 -10.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.004 -2.002 -10.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.266 -3.816 -8.217 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.869 -3.170 -8.340 1.00 0.00 H new ATOM 634 N LYS A 37 9.450 -3.591 -11.900 1.00 0.00 N ATOM 635 CA LYS A 37 10.123 -4.587 -11.050 1.00 0.00 C ATOM 636 C LYS A 37 9.113 -5.422 -10.272 1.00 0.00 C ATOM 637 O LYS A 37 8.571 -5.024 -9.245 1.00 0.00 O ATOM 638 CB LYS A 37 11.154 -3.889 -10.146 1.00 0.00 C ATOM 639 CG LYS A 37 12.421 -3.527 -10.936 1.00 0.00 C ATOM 640 CD LYS A 37 13.401 -2.701 -10.093 1.00 0.00 C ATOM 641 CE LYS A 37 14.802 -2.756 -10.710 1.00 0.00 C ATOM 642 NZ LYS A 37 15.760 -1.888 -9.976 1.00 0.00 N ATOM 0 H LYS A 37 9.601 -2.631 -11.589 1.00 0.00 H new ATOM 0 HA LYS A 37 10.667 -5.291 -11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.717 -2.986 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.414 -4.542 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.912 -4.440 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.145 -2.964 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.061 -1.667 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.429 -3.085 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.163 -3.784 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.753 -2.443 -11.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.697 -1.951 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.428 -0.903 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.826 -2.202 -8.987 1.00 0.00 H new ATOM 656 N LEU A 38 8.934 -6.623 -10.802 1.00 0.00 N ATOM 657 CA LEU A 38 8.133 -7.715 -10.279 1.00 0.00 C ATOM 658 C LEU A 38 8.851 -8.468 -9.134 1.00 0.00 C ATOM 659 O LEU A 38 8.203 -8.932 -8.198 1.00 0.00 O ATOM 660 CB LEU A 38 7.879 -8.601 -11.517 1.00 0.00 C ATOM 661 CG LEU A 38 7.063 -9.856 -11.227 1.00 0.00 C ATOM 662 CD1 LEU A 38 5.599 -9.530 -10.929 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.099 -10.821 -12.411 1.00 0.00 C ATOM 0 H LEU A 38 9.383 -6.877 -11.682 1.00 0.00 H new ATOM 0 HA LEU A 38 7.204 -7.378 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.361 -8.011 -12.273 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.838 -8.895 -11.943 1.00 0.00 H new ATOM 0 HG LEU A 38 7.517 -10.317 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.054 -10.453 -10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.542 -8.878 -10.058 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.156 -9.027 -11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.509 -11.707 -12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.684 -10.331 -13.292 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.130 -11.114 -12.610 1.00 0.00 H new ATOM 675 N ASP A 39 10.184 -8.592 -9.210 1.00 0.00 N ATOM 676 CA ASP A 39 10.995 -9.494 -8.367 1.00 0.00 C ATOM 677 C ASP A 39 12.256 -8.826 -7.765 1.00 0.00 C ATOM 678 O ASP A 39 13.095 -9.493 -7.159 1.00 0.00 O ATOM 679 CB ASP A 39 11.334 -10.738 -9.211 1.00 0.00 C ATOM 680 CG ASP A 39 11.914 -11.905 -8.388 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.986 -12.438 -8.766 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.270 -12.336 -7.400 1.00 0.00 O ATOM 0 H ASP A 39 10.745 -8.057 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 39 10.412 -9.776 -7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.432 -11.077 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.050 -10.458 -9.983 1.00 0.00 H new ATOM 687 N GLN A 40 12.396 -7.501 -7.919 1.00 0.00 N ATOM 688 CA GLN A 40 13.548 -6.711 -7.452 1.00 0.00 C ATOM 689 C GLN A 40 13.106 -5.540 -6.545 1.00 0.00 C ATOM 690 O GLN A 40 12.855 -4.443 -7.051 1.00 0.00 O ATOM 691 CB GLN A 40 14.361 -6.227 -8.668 1.00 0.00 C ATOM 692 CG GLN A 40 15.060 -7.372 -9.416 1.00 0.00 C ATOM 693 CD GLN A 40 15.920 -6.846 -10.563 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.111 -6.593 -10.421 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.358 -6.631 -11.734 1.00 0.00 N ATOM 0 H GLN A 40 11.690 -6.931 -8.386 1.00 0.00 H new ATOM 0 HA GLN A 40 14.187 -7.344 -6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.698 -5.702 -9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.109 -5.508 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.683 -7.936 -8.721 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.313 -8.063 -9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.368 -6.836 -11.870 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.913 -6.260 -12.505 1.00 0.00 H new ATOM 704 N PRO A 41 12.974 -5.732 -5.217 1.00 0.00 N ATOM 705 CA PRO A 41 12.591 -4.660 -4.297 1.00 0.00 C ATOM 706 C PRO A 41 13.732 -3.652 -4.070 1.00 0.00 C ATOM 707 O PRO A 41 14.914 -3.992 -4.163 1.00 0.00 O ATOM 708 CB PRO A 41 12.171 -5.364 -3.006 1.00 0.00 C ATOM 709 CG PRO A 41 13.027 -6.629 -3.005 1.00 0.00 C ATOM 710 CD PRO A 41 13.142 -6.985 -4.489 1.00 0.00 C ATOM 0 HA PRO A 41 11.777 -4.059 -4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.364 -4.746 -2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.106 -5.598 -3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.005 -6.451 -2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.557 -7.431 -2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.109 -7.437 -4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.380 -7.709 -4.777 1.00 0.00 H new ATOM 718 N ASP A 42 13.376 -2.410 -3.732 1.00 0.00 N ATOM 719 CA ASP A 42 14.314 -1.337 -3.366 1.00 0.00 C ATOM 720 C ASP A 42 14.347 -1.076 -1.848 1.00 0.00 C ATOM 721 O ASP A 42 15.387 -0.701 -1.300 1.00 0.00 O ATOM 722 CB ASP A 42 13.935 -0.066 -4.136 1.00 0.00 C ATOM 723 CG ASP A 42 14.932 1.071 -3.866 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.576 2.009 -3.114 1.00 0.00 O ATOM 725 OD2 ASP A 42 16.050 1.046 -4.432 1.00 0.00 O ATOM 0 H ASP A 42 12.401 -2.111 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 42 15.321 -1.651 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.906 -0.281 -5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.933 0.251 -3.848 1.00 0.00 H new ATOM 730 N TRP A 43 13.228 -1.326 -1.161 1.00 0.00 N ATOM 731 CA TRP A 43 13.074 -1.201 0.291 1.00 0.00 C ATOM 732 C TRP A 43 12.285 -2.390 0.852 1.00 0.00 C ATOM 733 O TRP A 43 11.364 -2.877 0.198 1.00 0.00 O ATOM 734 CB TRP A 43 12.355 0.123 0.602 1.00 0.00 C ATOM 735 CG TRP A 43 11.991 0.348 2.041 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.741 1.023 2.941 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.792 -0.084 2.764 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.101 1.033 4.165 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.889 0.376 4.111 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.632 -0.815 2.423 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.883 0.143 5.059 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.623 -1.077 3.373 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.745 -0.594 4.687 1.00 0.00 C ATOM 0 H TRP A 43 12.371 -1.633 -1.620 1.00 0.00 H new ATOM 0 HA TRP A 43 14.056 -1.201 0.764 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.991 0.945 0.275 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.444 0.168 0.005 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.695 1.484 2.734 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.478 1.472 5.005 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.515 -1.181 1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.981 0.525 6.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.753 -1.651 3.089 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.966 -0.789 5.410 1.00 0.00 H new ATOM 754 N THR A 44 12.590 -2.834 2.074 1.00 0.00 N ATOM 755 CA THR A 44 11.727 -3.731 2.848 1.00 0.00 C ATOM 756 C THR A 44 11.638 -3.310 4.309 1.00 0.00 C ATOM 757 O THR A 44 12.541 -2.672 4.857 1.00 0.00 O ATOM 758 CB THR A 44 12.135 -5.210 2.738 1.00 0.00 C ATOM 759 OG1 THR A 44 13.153 -5.562 3.654 1.00 0.00 O ATOM 760 CG2 THR A 44 12.602 -5.679 1.364 1.00 0.00 C ATOM 0 H THR A 44 13.451 -2.579 2.559 1.00 0.00 H new ATOM 0 HA THR A 44 10.737 -3.640 2.401 1.00 0.00 H new ATOM 0 HB THR A 44 11.193 -5.711 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.698 -6.283 3.276 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.862 -6.736 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.802 -5.533 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.476 -5.103 1.061 1.00 0.00 H new ATOM 768 N GLY A 45 10.532 -3.683 4.944 1.00 0.00 N ATOM 769 CA GLY A 45 10.213 -3.293 6.307 1.00 0.00 C ATOM 770 C GLY A 45 8.931 -3.947 6.800 1.00 0.00 C ATOM 771 O GLY A 45 8.684 -5.129 6.557 1.00 0.00 O ATOM 0 H GLY A 45 9.821 -4.276 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.037 -3.568 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.111 -2.209 6.360 1.00 0.00 H new ATOM 775 N ARG A 46 8.135 -3.152 7.504 1.00 0.00 N ATOM 776 CA ARG A 46 6.930 -3.536 8.249 1.00 0.00 C ATOM 777 C ARG A 46 5.735 -2.694 7.793 1.00 0.00 C ATOM 778 O ARG A 46 5.877 -1.503 7.518 1.00 0.00 O ATOM 779 CB ARG A 46 7.247 -3.383 9.749 1.00 0.00 C ATOM 780 CG ARG A 46 6.083 -3.721 10.695 1.00 0.00 C ATOM 781 CD ARG A 46 6.487 -3.582 12.168 1.00 0.00 C ATOM 782 NE ARG A 46 7.468 -4.615 12.565 1.00 0.00 N ATOM 783 CZ ARG A 46 8.742 -4.442 12.871 1.00 0.00 C ATOM 784 NH1 ARG A 46 9.512 -5.464 13.100 1.00 0.00 N ATOM 785 NH2 ARG A 46 9.292 -3.265 12.938 1.00 0.00 N ATOM 0 H ARG A 46 8.322 -2.152 7.578 1.00 0.00 H new ATOM 0 HA ARG A 46 6.650 -4.572 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.093 -4.025 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.561 -2.356 9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.241 -3.061 10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.745 -4.740 10.505 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.912 -2.592 12.337 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.601 -3.660 12.798 1.00 0.00 H new ATOM 0 HE ARG A 46 7.121 -5.573 12.608 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.134 -6.410 13.044 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.494 -5.320 13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.736 -2.431 12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.279 -3.176 13.178 1.00 0.00 H new ATOM 799 N LEU A 47 4.555 -3.305 7.720 1.00 0.00 N ATOM 800 CA LEU A 47 3.306 -2.639 7.335 1.00 0.00 C ATOM 801 C LEU A 47 2.537 -2.156 8.571 1.00 0.00 C ATOM 802 O LEU A 47 2.358 -2.924 9.517 1.00 0.00 O ATOM 803 CB LEU A 47 2.443 -3.639 6.547 1.00 0.00 C ATOM 804 CG LEU A 47 1.094 -3.082 6.048 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.257 -2.291 4.755 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.107 -4.232 5.851 1.00 0.00 C ATOM 0 H LEU A 47 4.434 -4.296 7.930 1.00 0.00 H new ATOM 0 HA LEU A 47 3.539 -1.768 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.014 -3.991 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.250 -4.506 7.178 1.00 0.00 H new ATOM 0 HG LEU A 47 0.707 -2.396 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.286 -1.914 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.933 -1.453 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.668 -2.939 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.846 -3.837 5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.505 -4.931 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.043 -4.749 6.799 1.00 0.00 H new ATOM 818 N ARG A 48 1.956 -0.959 8.492 1.00 0.00 N ATOM 819 CA ARG A 48 0.792 -0.537 9.283 1.00 0.00 C ATOM 820 C ARG A 48 -0.319 -0.055 8.349 1.00 0.00 C ATOM 821 O ARG A 48 -0.084 0.696 7.406 1.00 0.00 O ATOM 822 CB ARG A 48 1.174 0.581 10.273 1.00 0.00 C ATOM 823 CG ARG A 48 2.304 0.216 11.244 1.00 0.00 C ATOM 824 CD ARG A 48 1.920 -0.847 12.282 1.00 0.00 C ATOM 825 NE ARG A 48 1.362 -0.252 13.513 1.00 0.00 N ATOM 826 CZ ARG A 48 2.050 0.239 14.533 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.431 0.652 15.602 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.348 0.340 14.532 1.00 0.00 N ATOM 0 H ARG A 48 2.289 -0.232 7.858 1.00 0.00 H new ATOM 0 HA ARG A 48 0.436 -1.392 9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.470 1.464 9.707 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.291 0.854 10.850 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.159 -0.143 10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.626 1.118 11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.189 -1.529 11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.799 -1.440 12.534 1.00 0.00 H new ATOM 0 HE ARG A 48 0.345 -0.215 13.585 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.414 0.598 15.655 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.963 1.030 16.386 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.883 0.033 13.719 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.830 0.726 15.344 1.00 0.00 H new ATOM 842 N ILE A 49 -1.547 -0.445 8.645 1.00 0.00 N ATOM 843 CA ILE A 49 -2.760 0.166 8.102 1.00 0.00 C ATOM 844 C ILE A 49 -3.547 0.664 9.299 1.00 0.00 C ATOM 845 O ILE A 49 -3.888 -0.116 10.186 1.00 0.00 O ATOM 846 CB ILE A 49 -3.559 -0.824 7.237 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.682 -1.311 6.064 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.863 -0.192 6.725 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.423 -2.195 5.063 1.00 0.00 C ATOM 0 H ILE A 49 -1.739 -1.215 9.286 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.525 0.991 7.429 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.836 -1.680 7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.279 -0.444 5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.833 -1.865 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.404 -0.917 6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.481 0.105 7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.630 0.685 6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.740 -2.497 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.802 -3.081 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.256 -1.639 4.633 1.00 0.00 H new ATOM 861 N THR A 50 -3.804 1.962 9.340 1.00 0.00 N ATOM 862 CA THR A 50 -4.482 2.649 10.446 1.00 0.00 C ATOM 863 C THR A 50 -5.691 3.425 9.910 1.00 0.00 C ATOM 864 O THR A 50 -5.872 3.535 8.698 1.00 0.00 O ATOM 865 CB THR A 50 -3.502 3.586 11.171 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.115 4.614 10.299 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.227 2.878 11.636 1.00 0.00 C ATOM 0 H THR A 50 -3.541 2.593 8.583 1.00 0.00 H new ATOM 0 HA THR A 50 -4.836 1.911 11.166 1.00 0.00 H new ATOM 0 HB THR A 50 -4.026 3.963 12.049 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.239 4.960 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.577 3.593 12.140 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.488 2.075 12.326 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.707 2.461 10.773 1.00 0.00 H new ATOM 875 N SER A 51 -6.549 3.948 10.784 1.00 0.00 N ATOM 876 CA SER A 51 -7.744 4.710 10.421 1.00 0.00 C ATOM 877 C SER A 51 -8.135 5.714 11.497 1.00 0.00 C ATOM 878 O SER A 51 -8.365 5.363 12.652 1.00 0.00 O ATOM 879 CB SER A 51 -8.912 3.755 10.166 1.00 0.00 C ATOM 880 OG SER A 51 -10.172 4.414 10.221 1.00 0.00 O ATOM 0 H SER A 51 -6.429 3.851 11.792 1.00 0.00 H new ATOM 0 HA SER A 51 -7.510 5.269 9.515 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.791 3.290 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.891 2.954 10.905 1.00 0.00 H new ATOM 0 HG SER A 51 -10.764 4.045 9.533 1.00 0.00 H new ATOM 886 N LYS A 52 -8.283 6.972 11.091 1.00 0.00 N ATOM 887 CA LYS A 52 -8.885 8.059 11.883 1.00 0.00 C ATOM 888 C LYS A 52 -10.410 8.190 11.629 1.00 0.00 C ATOM 889 O LYS A 52 -11.003 9.261 11.749 1.00 0.00 O ATOM 890 CB LYS A 52 -8.038 9.312 11.624 1.00 0.00 C ATOM 891 CG LYS A 52 -8.294 10.496 12.559 1.00 0.00 C ATOM 892 CD LYS A 52 -7.849 11.804 11.904 1.00 0.00 C ATOM 893 CE LYS A 52 -6.369 11.840 11.515 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.052 13.020 10.671 1.00 0.00 N ATOM 0 H LYS A 52 -7.978 7.282 10.168 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.857 7.858 12.954 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.986 9.037 11.697 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.212 9.639 10.599 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.354 10.549 12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.756 10.350 13.495 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.452 11.974 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.053 12.628 12.588 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.756 11.862 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.112 10.928 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.041 13.011 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.619 12.986 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.274 13.891 11.194 1.00 0.00 H new ATOM 908 N GLY A 53 -11.048 7.082 11.242 1.00 0.00 N ATOM 909 CA GLY A 53 -12.473 6.975 10.905 1.00 0.00 C ATOM 910 C GLY A 53 -12.773 7.481 9.489 1.00 0.00 C ATOM 911 O GLY A 53 -12.512 8.643 9.172 1.00 0.00 O ATOM 0 H GLY A 53 -10.562 6.190 11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.788 5.935 10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.059 7.547 11.625 1.00 0.00 H new ATOM 915 N LYS A 54 -13.287 6.599 8.616 1.00 0.00 N ATOM 916 CA LYS A 54 -13.600 6.836 7.185 1.00 0.00 C ATOM 917 C LYS A 54 -12.430 7.293 6.293 1.00 0.00 C ATOM 918 O LYS A 54 -12.561 7.323 5.070 1.00 0.00 O ATOM 919 CB LYS A 54 -14.873 7.702 7.117 1.00 0.00 C ATOM 920 CG LYS A 54 -15.601 7.721 5.763 1.00 0.00 C ATOM 921 CD LYS A 54 -15.422 9.049 5.018 1.00 0.00 C ATOM 922 CE LYS A 54 -16.427 9.136 3.864 1.00 0.00 C ATOM 923 NZ LYS A 54 -16.281 10.418 3.129 1.00 0.00 N ATOM 0 H LYS A 54 -13.510 5.645 8.900 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.799 5.873 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.570 7.349 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.607 8.726 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.228 6.907 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.664 7.538 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.568 9.884 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.405 9.127 4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.275 8.301 3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.442 9.049 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.201 10.698 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.945 11.156 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.594 10.299 2.357 1.00 0.00 H new ATOM 937 N THR A 55 -11.256 7.508 6.882 1.00 0.00 N ATOM 938 CA THR A 55 -9.974 7.676 6.197 1.00 0.00 C ATOM 939 C THR A 55 -8.979 6.668 6.759 1.00 0.00 C ATOM 940 O THR A 55 -8.635 6.737 7.942 1.00 0.00 O ATOM 941 CB THR A 55 -9.422 9.105 6.334 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.442 10.080 6.210 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.440 9.362 5.199 1.00 0.00 C ATOM 0 H THR A 55 -11.167 7.573 7.896 1.00 0.00 H new ATOM 0 HA THR A 55 -10.130 7.500 5.133 1.00 0.00 H new ATOM 0 HB THR A 55 -8.959 9.182 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.053 10.974 6.304 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.041 10.373 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.622 8.643 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.952 9.254 4.243 1.00 0.00 H new ATOM 951 N ALA A 56 -8.542 5.724 5.926 1.00 0.00 N ATOM 952 CA ALA A 56 -7.446 4.814 6.243 1.00 0.00 C ATOM 953 C ALA A 56 -6.106 5.443 5.839 1.00 0.00 C ATOM 954 O ALA A 56 -6.049 6.291 4.948 1.00 0.00 O ATOM 955 CB ALA A 56 -7.669 3.446 5.579 1.00 0.00 C ATOM 0 H ALA A 56 -8.945 5.569 5.002 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.419 4.645 7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.841 2.782 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.602 3.014 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.722 3.571 4.497 1.00 0.00 H new ATOM 961 N TYR A 57 -5.012 5.020 6.465 1.00 0.00 N ATOM 962 CA TYR A 57 -3.667 5.466 6.134 1.00 0.00 C ATOM 963 C TYR A 57 -2.766 4.234 6.026 1.00 0.00 C ATOM 964 O TYR A 57 -2.589 3.495 6.997 1.00 0.00 O ATOM 965 CB TYR A 57 -3.177 6.481 7.179 1.00 0.00 C ATOM 966 CG TYR A 57 -4.045 7.725 7.344 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.683 8.927 6.701 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.212 7.688 8.138 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.481 10.080 6.848 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.023 8.830 8.266 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.654 10.034 7.633 1.00 0.00 C ATOM 972 OH TYR A 57 -6.427 11.145 7.790 1.00 0.00 O ATOM 0 H TYR A 57 -5.038 4.346 7.230 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.648 5.983 5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.107 5.978 8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.169 6.796 6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.791 8.964 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.484 6.777 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.195 11.000 6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.930 8.784 8.850 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.195 10.931 8.360 1.00 0.00 H new ATOM 982 N ILE A 58 -2.212 3.995 4.834 1.00 0.00 N ATOM 983 CA ILE A 58 -1.194 2.961 4.626 1.00 0.00 C ATOM 984 C ILE A 58 0.142 3.565 5.043 1.00 0.00 C ATOM 985 O ILE A 58 0.656 4.440 4.346 1.00 0.00 O ATOM 986 CB ILE A 58 -1.120 2.475 3.160 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.473 2.228 2.464 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.221 1.232 3.103 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.331 1.124 3.077 1.00 0.00 C ATOM 0 H ILE A 58 -2.455 4.511 3.988 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.450 2.083 5.220 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.694 3.297 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.043 3.157 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.285 1.982 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.158 0.876 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.776 1.488 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.643 0.449 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.260 1.030 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.788 0.179 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.558 1.373 4.114 1.00 0.00 H new ATOM 1001 N LYS A 59 0.692 3.138 6.178 1.00 0.00 N ATOM 1002 CA LYS A 59 1.990 3.613 6.689 1.00 0.00 C ATOM 1003 C LYS A 59 3.024 2.487 6.714 1.00 0.00 C ATOM 1004 O LYS A 59 2.724 1.355 7.087 1.00 0.00 O ATOM 1005 CB LYS A 59 1.821 4.323 8.043 1.00 0.00 C ATOM 1006 CG LYS A 59 0.737 5.412 7.970 1.00 0.00 C ATOM 1007 CD LYS A 59 0.922 6.513 9.018 1.00 0.00 C ATOM 1008 CE LYS A 59 -0.274 7.469 8.928 1.00 0.00 C ATOM 1009 NZ LYS A 59 -0.042 8.723 9.676 1.00 0.00 N ATOM 0 H LYS A 59 0.249 2.444 6.781 1.00 0.00 H new ATOM 0 HA LYS A 59 2.384 4.361 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.556 3.593 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.769 4.770 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.746 5.859 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.242 4.952 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.988 6.080 10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.853 7.052 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.472 7.703 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.163 6.974 9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.813 9.393 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.013 8.519 10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.864 9.141 9.381 1.00 0.00 H new ATOM 1023 N LEU A 60 4.250 2.785 6.298 1.00 0.00 N ATOM 1024 CA LEU A 60 5.328 1.804 6.157 1.00 0.00 C ATOM 1025 C LEU A 60 6.463 2.132 7.132 1.00 0.00 C ATOM 1026 O LEU A 60 6.894 3.281 7.216 1.00 0.00 O ATOM 1027 CB LEU A 60 5.796 1.791 4.692 1.00 0.00 C ATOM 1028 CG LEU A 60 4.745 1.280 3.686 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.255 1.494 2.263 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.459 -0.213 3.863 1.00 0.00 C ATOM 0 H LEU A 60 4.531 3.732 6.044 1.00 0.00 H new ATOM 0 HA LEU A 60 4.975 0.804 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.089 2.802 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.687 1.168 4.615 1.00 0.00 H new ATOM 0 HG LEU A 60 3.827 1.838 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.512 1.133 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.431 2.557 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.187 0.946 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.713 -0.530 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.378 -0.780 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.082 -0.394 4.870 1.00 0.00 H new ATOM 1042 N GLU A 61 6.940 1.135 7.873 1.00 0.00 N ATOM 1043 CA GLU A 61 7.864 1.295 9.003 1.00 0.00 C ATOM 1044 C GLU A 61 9.146 0.464 8.830 1.00 0.00 C ATOM 1045 O GLU A 61 9.128 -0.602 8.214 1.00 0.00 O ATOM 1046 CB GLU A 61 7.168 0.902 10.316 1.00 0.00 C ATOM 1047 CG GLU A 61 5.897 1.707 10.624 1.00 0.00 C ATOM 1048 CD GLU A 61 5.405 1.449 12.062 1.00 0.00 C ATOM 1049 OE1 GLU A 61 5.232 0.270 12.457 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.135 2.426 12.799 1.00 0.00 O ATOM 0 H GLU A 61 6.689 0.161 7.702 1.00 0.00 H new ATOM 0 HA GLU A 61 8.152 2.346 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.912 -0.157 10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.872 1.028 11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.096 2.770 10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.113 1.438 9.916 1.00 0.00 H new ATOM 1057 N ASP A 62 10.267 0.907 9.403 1.00 0.00 N ATOM 1058 CA ASP A 62 11.524 0.175 9.396 1.00 0.00 C ATOM 1059 C ASP A 62 11.412 -1.080 10.276 1.00 0.00 C ATOM 1060 O ASP A 62 10.902 -1.027 11.402 1.00 0.00 O ATOM 1061 CB ASP A 62 12.636 1.127 9.855 1.00 0.00 C ATOM 1062 CG ASP A 62 13.972 0.398 9.984 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.762 0.378 9.011 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.189 -0.192 11.063 1.00 0.00 O ATOM 0 H ASP A 62 10.322 1.800 9.892 1.00 0.00 H new ATOM 0 HA ASP A 62 11.767 -0.176 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.734 1.946 9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.366 1.569 10.814 1.00 0.00 H new ATOM 1069 N LYS A 63 11.912 -2.215 9.774 1.00 0.00 N ATOM 1070 CA LYS A 63 11.781 -3.538 10.412 1.00 0.00 C ATOM 1071 C LYS A 63 12.473 -3.642 11.779 1.00 0.00 C ATOM 1072 O LYS A 63 12.173 -4.561 12.543 1.00 0.00 O ATOM 1073 CB LYS A 63 12.320 -4.615 9.445 1.00 0.00 C ATOM 1074 CG LYS A 63 11.340 -5.793 9.296 1.00 0.00 C ATOM 1075 CD LYS A 63 11.801 -6.844 8.269 1.00 0.00 C ATOM 1076 CE LYS A 63 11.922 -6.254 6.856 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.345 -7.260 5.854 1.00 0.00 N ATOM 0 H LYS A 63 12.430 -2.244 8.896 1.00 0.00 H new ATOM 0 HA LYS A 63 10.721 -3.696 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.502 -4.168 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.279 -4.984 9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.212 -6.275 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.364 -5.409 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.764 -7.252 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.093 -7.673 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.962 -5.832 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.640 -5.434 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.687 -6.776 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.108 -7.845 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.537 -7.866 5.608 1.00 0.00 H new ATOM 1091 N VAL A 64 13.359 -2.702 12.106 1.00 0.00 N ATOM 1092 CA VAL A 64 14.266 -2.733 13.261 1.00 0.00 C ATOM 1093 C VAL A 64 13.890 -1.673 14.293 1.00 0.00 C ATOM 1094 O VAL A 64 13.931 -1.953 15.493 1.00 0.00 O ATOM 1095 CB VAL A 64 15.732 -2.524 12.813 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.698 -3.083 13.862 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.056 -3.177 11.459 1.00 0.00 C ATOM 0 H VAL A 64 13.472 -1.856 11.548 1.00 0.00 H new ATOM 0 HA VAL A 64 14.169 -3.716 13.723 1.00 0.00 H new ATOM 0 HB VAL A 64 15.856 -1.447 12.704 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.725 -2.928 13.531 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.541 -2.570 14.811 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.516 -4.150 13.992 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.100 -2.991 11.206 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.884 -4.251 11.523 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.414 -2.752 10.687 1.00 0.00 H new ATOM 1107 N SER A 65 13.484 -0.483 13.834 1.00 0.00 N ATOM 1108 CA SER A 65 13.304 0.692 14.698 1.00 0.00 C ATOM 1109 C SER A 65 11.926 1.359 14.586 1.00 0.00 C ATOM 1110 O SER A 65 11.648 2.316 15.311 1.00 0.00 O ATOM 1111 CB SER A 65 14.421 1.712 14.426 1.00 0.00 C ATOM 1112 OG SER A 65 15.697 1.155 14.717 1.00 0.00 O ATOM 0 H SER A 65 13.271 -0.307 12.852 1.00 0.00 H new ATOM 0 HA SER A 65 13.363 0.327 15.723 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.386 2.026 13.383 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.261 2.603 15.033 1.00 0.00 H new ATOM 0 HG SER A 65 16.393 1.820 14.535 1.00 0.00 H new ATOM 1118 N GLY A 66 11.050 0.878 13.694 1.00 0.00 N ATOM 1119 CA GLY A 66 9.694 1.409 13.508 1.00 0.00 C ATOM 1120 C GLY A 66 9.626 2.793 12.842 1.00 0.00 C ATOM 1121 O GLY A 66 8.575 3.432 12.861 1.00 0.00 O ATOM 0 H GLY A 66 11.267 0.098 13.073 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.123 0.703 12.905 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.205 1.466 14.481 1.00 0.00 H new ATOM 1125 N GLU A 67 10.733 3.281 12.272 1.00 0.00 N ATOM 1126 CA GLU A 67 10.822 4.622 11.669 1.00 0.00 C ATOM 1127 C GLU A 67 10.034 4.706 10.350 1.00 0.00 C ATOM 1128 O GLU A 67 10.067 3.767 9.553 1.00 0.00 O ATOM 1129 CB GLU A 67 12.289 5.020 11.444 1.00 0.00 C ATOM 1130 CG GLU A 67 13.090 5.096 12.751 1.00 0.00 C ATOM 1131 CD GLU A 67 14.505 5.650 12.503 1.00 0.00 C ATOM 1132 OE1 GLU A 67 15.435 4.854 12.228 1.00 0.00 O ATOM 1133 OE2 GLU A 67 14.701 6.887 12.589 1.00 0.00 O ATOM 0 H GLU A 67 11.604 2.753 12.214 1.00 0.00 H new ATOM 0 HA GLU A 67 10.372 5.325 12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.759 4.298 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.326 5.988 10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.567 5.732 13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.158 4.104 13.198 1.00 0.00 H new ATOM 1140 N LEU A 68 9.331 5.816 10.100 1.00 0.00 N ATOM 1141 CA LEU A 68 8.445 5.957 8.936 1.00 0.00 C ATOM 1142 C LEU A 68 9.240 6.050 7.617 1.00 0.00 C ATOM 1143 O LEU A 68 10.034 6.973 7.417 1.00 0.00 O ATOM 1144 CB LEU A 68 7.520 7.177 9.139 1.00 0.00 C ATOM 1145 CG LEU A 68 6.384 7.281 8.100 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.271 6.263 8.357 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.746 8.668 8.148 1.00 0.00 C ATOM 0 H LEU A 68 9.359 6.642 10.698 1.00 0.00 H new ATOM 0 HA LEU A 68 7.829 5.062 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.083 7.127 10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.120 8.086 9.099 1.00 0.00 H new ATOM 0 HG LEU A 68 6.839 7.086 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.494 6.375 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.682 5.255 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.843 6.434 9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.946 8.726 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.336 8.846 9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.500 9.423 7.927 1.00 0.00 H new ATOM 1159 N PHE A 69 8.978 5.120 6.698 1.00 0.00 N ATOM 1160 CA PHE A 69 9.466 5.131 5.314 1.00 0.00 C ATOM 1161 C PHE A 69 8.566 5.992 4.414 1.00 0.00 C ATOM 1162 O PHE A 69 9.053 6.904 3.741 1.00 0.00 O ATOM 1163 CB PHE A 69 9.558 3.680 4.815 1.00 0.00 C ATOM 1164 CG PHE A 69 9.763 3.525 3.316 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.898 2.705 2.569 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.818 4.190 2.664 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.084 2.548 1.186 1.00 0.00 C ATOM 1168 CE2 PHE A 69 10.994 4.045 1.276 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.123 3.227 0.531 1.00 0.00 C ATOM 0 H PHE A 69 8.398 4.306 6.903 1.00 0.00 H new ATOM 0 HA PHE A 69 10.457 5.583 5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.381 3.186 5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.645 3.157 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.085 2.193 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.494 4.813 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.425 1.902 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.801 4.563 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.253 3.123 -0.536 1.00 0.00 H new ATOM 1179 N ALA A 70 7.255 5.726 4.426 1.00 0.00 N ATOM 1180 CA ALA A 70 6.252 6.451 3.647 1.00 0.00 C ATOM 1181 C ALA A 70 4.844 6.330 4.257 1.00 0.00 C ATOM 1182 O ALA A 70 4.581 5.428 5.059 1.00 0.00 O ATOM 1183 CB ALA A 70 6.252 5.909 2.212 1.00 0.00 C ATOM 0 H ALA A 70 6.854 4.980 4.994 1.00 0.00 H new ATOM 0 HA ALA A 70 6.513 7.509 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.507 6.443 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.237 6.053 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.011 4.846 2.225 1.00 0.00 H new ATOM 1189 N GLN A 71 3.930 7.211 3.838 1.00 0.00 N ATOM 1190 CA GLN A 71 2.506 7.156 4.187 1.00 0.00 C ATOM 1191 C GLN A 71 1.596 7.583 3.020 1.00 0.00 C ATOM 1192 O GLN A 71 1.877 8.573 2.340 1.00 0.00 O ATOM 1193 CB GLN A 71 2.227 7.951 5.479 1.00 0.00 C ATOM 1194 CG GLN A 71 2.651 9.432 5.451 1.00 0.00 C ATOM 1195 CD GLN A 71 2.493 10.134 6.804 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.839 9.667 7.731 1.00 0.00 O ATOM 1197 NE2 GLN A 71 3.094 11.289 6.980 1.00 0.00 N ATOM 0 H GLN A 71 4.164 7.999 3.234 1.00 0.00 H new ATOM 0 HA GLN A 71 2.256 6.114 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.159 7.901 5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.741 7.460 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.692 9.499 5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.056 9.959 4.705 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.644 11.698 6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.011 11.776 7.872 1.00 0.00 H new ATOM 1206 N ALA A 72 0.505 6.840 2.796 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.518 7.094 1.775 1.00 0.00 C ATOM 1208 C ALA A 72 -1.922 7.236 2.414 1.00 0.00 C ATOM 1209 O ALA A 72 -2.403 6.266 3.010 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.521 5.938 0.763 1.00 0.00 C ATOM 0 H ALA A 72 0.302 6.006 3.348 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.281 8.030 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.280 6.122 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.458 5.867 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.744 5.004 1.278 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.606 8.391 2.297 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.970 8.575 2.801 1.00 0.00 C ATOM 1218 C PRO A 73 -5.018 8.022 1.817 1.00 0.00 C ATOM 1219 O PRO A 73 -5.060 8.422 0.653 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.104 10.086 3.009 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.203 10.680 1.925 1.00 0.00 C ATOM 1222 CD PRO A 73 -2.082 9.649 1.778 1.00 0.00 C ATOM 0 HA PRO A 73 -4.148 8.026 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.137 10.416 2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.781 10.384 4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.743 10.820 0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.814 11.655 2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.785 9.545 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.196 9.958 2.332 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.891 7.126 2.287 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.947 6.449 1.512 1.00 0.00 C ATOM 1232 C VAL A 74 -8.329 6.876 2.019 1.00 0.00 C ATOM 1233 O VAL A 74 -8.669 6.672 3.183 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.801 4.909 1.584 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.862 4.205 0.731 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.427 4.372 1.164 1.00 0.00 C ATOM 0 H VAL A 74 -5.884 6.836 3.265 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.842 6.746 0.468 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.933 4.686 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.730 3.125 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.855 4.475 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.756 4.513 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.420 3.285 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.224 4.658 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.659 4.790 1.814 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.156 7.427 1.126 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.523 7.904 1.413 1.00 0.00 C ATOM 1248 C GLU A 75 -11.583 7.215 0.526 1.00 0.00 C ATOM 1249 O GLU A 75 -12.771 7.517 0.606 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.512 9.444 1.310 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.688 10.174 1.985 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.899 10.441 1.068 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -12.723 10.854 -0.102 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -14.060 10.265 1.517 1.00 0.00 O ATOM 0 H GLU A 75 -8.889 7.560 0.151 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.822 7.628 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.583 9.811 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.498 9.718 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.021 9.584 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.329 11.126 2.375 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.171 6.259 -0.313 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.027 5.368 -1.094 1.00 0.00 C ATOM 1263 C GLN A 76 -11.265 4.078 -1.429 1.00 0.00 C ATOM 1264 O GLN A 76 -10.059 4.126 -1.687 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.549 6.072 -2.367 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.554 6.279 -3.528 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.370 7.193 -3.209 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.413 8.401 -3.394 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.260 6.659 -2.738 1.00 0.00 N ATOM 0 H GLN A 76 -10.180 6.079 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.901 5.104 -0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.393 5.497 -2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.934 7.049 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.170 5.306 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.094 6.693 -4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.206 5.653 -2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.455 7.252 -2.534 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.962 2.942 -1.473 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.385 1.646 -1.844 1.00 0.00 C ATOM 1280 C TYR A 77 -12.241 0.871 -2.871 1.00 0.00 C ATOM 1281 O TYR A 77 -13.443 0.698 -2.638 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.136 0.795 -0.593 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.329 -0.433 -0.933 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -10.927 -1.643 -1.332 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -8.941 -0.279 -0.997 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -10.120 -2.674 -1.854 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -8.130 -1.304 -1.507 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.722 -2.498 -1.963 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.950 -3.451 -2.546 1.00 0.00 O ATOM 0 H TYR A 77 -12.956 2.894 -1.249 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.434 1.855 -2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.609 1.386 0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -12.088 0.500 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.994 -1.780 -1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.488 0.638 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.572 -3.602 -2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.058 -1.178 -1.550 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.013 -3.164 -2.536 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.645 0.355 -3.970 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.313 0.705 -4.485 1.00 0.00 C ATOM 1301 C PRO A 78 -10.262 2.173 -4.959 1.00 0.00 C ATOM 1302 O PRO A 78 -11.299 2.813 -5.154 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.057 -0.276 -5.633 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.461 -0.548 -6.173 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.318 -0.534 -4.907 1.00 0.00 C ATOM 0 HA PRO A 78 -9.545 0.626 -3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.408 0.155 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.575 -1.189 -5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.776 0.216 -6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.517 -1.506 -6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.326 -0.180 -5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.414 -1.537 -4.491 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.060 2.722 -5.144 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.868 4.105 -5.600 1.00 0.00 C ATOM 1315 C GLY A 79 -7.464 4.393 -6.133 1.00 0.00 C ATOM 1316 O GLY A 79 -6.743 3.489 -6.550 1.00 0.00 O ATOM 0 H GLY A 79 -8.187 2.220 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.595 4.323 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.078 4.782 -4.772 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.055 5.665 -6.103 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.700 6.083 -6.500 1.00 0.00 C ATOM 1322 C ILE A 80 -4.697 5.890 -5.359 1.00 0.00 C ATOM 1323 O ILE A 80 -3.514 5.657 -5.605 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.731 7.531 -7.042 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.413 7.988 -7.704 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.098 8.570 -5.966 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.940 7.094 -8.857 1.00 0.00 C ATOM 0 H ILE A 80 -7.651 6.437 -5.803 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.352 5.441 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.510 7.489 -7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.541 9.004 -8.077 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.632 8.024 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.103 9.566 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.087 8.346 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.364 8.534 -5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.008 7.487 -9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.776 6.081 -8.489 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.699 7.077 -9.639 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.167 5.940 -4.106 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.305 5.768 -2.948 1.00 0.00 C ATOM 1341 C ALA A 81 -3.965 4.308 -2.652 1.00 0.00 C ATOM 1342 O ALA A 81 -2.909 4.068 -2.080 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.887 6.470 -1.732 1.00 0.00 C ATOM 0 H ALA A 81 -6.148 6.100 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.355 6.241 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.225 6.327 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.987 7.535 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.867 6.051 -1.505 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.803 3.343 -3.046 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.495 1.912 -3.002 1.00 0.00 C ATOM 1351 C VAL A 82 -5.207 1.186 -4.161 1.00 0.00 C ATOM 1352 O VAL A 82 -6.409 1.364 -4.383 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.868 1.362 -1.623 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.313 1.656 -1.265 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.502 -0.117 -1.528 1.00 0.00 C ATOM 0 H VAL A 82 -5.734 3.541 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.428 1.741 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.280 1.883 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.534 1.248 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.473 2.734 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.971 1.198 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.772 -0.496 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.042 -0.675 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.430 -0.237 -1.681 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.465 0.377 -4.916 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.929 -0.323 -6.123 1.00 0.00 C ATOM 1367 C GLU A 83 -4.269 -1.701 -6.282 1.00 0.00 C ATOM 1368 O GLU A 83 -3.143 -1.914 -5.832 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.637 0.549 -7.365 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.866 0.770 -8.255 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.255 -0.495 -9.038 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.985 -1.346 -8.477 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.820 -0.647 -10.204 1.00 0.00 O ATOM 0 H GLU A 83 -3.488 0.181 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.002 -0.488 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.255 1.516 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.851 0.078 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.707 1.085 -7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.664 1.580 -8.955 1.00 0.00 H new ATOM 1380 N THR A 84 -4.933 -2.624 -6.982 1.00 0.00 N ATOM 1381 CA THR A 84 -4.432 -3.975 -7.258 1.00 0.00 C ATOM 1382 C THR A 84 -4.075 -4.091 -8.732 1.00 0.00 C ATOM 1383 O THR A 84 -4.825 -4.629 -9.542 1.00 0.00 O ATOM 1384 CB THR A 84 -5.427 -5.071 -6.876 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.081 -4.804 -5.651 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.720 -6.411 -6.750 1.00 0.00 C ATOM 0 H THR A 84 -5.855 -2.450 -7.382 1.00 0.00 H new ATOM 0 HA THR A 84 -3.548 -4.124 -6.638 1.00 0.00 H new ATOM 0 HB THR A 84 -6.171 -5.099 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.453 -4.934 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.443 -7.180 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.257 -6.669 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.952 -6.346 -5.979 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.890 -3.571 -9.039 1.00 0.00 N ATOM 1395 CA VAL A 85 -2.017 -3.863 -10.194 1.00 0.00 C ATOM 1396 C VAL A 85 -2.700 -4.200 -11.526 1.00 0.00 C ATOM 1397 O VAL A 85 -2.687 -3.373 -12.439 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.951 -4.910 -9.815 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.175 -4.213 -9.053 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.455 -6.060 -8.939 1.00 0.00 C ATOM 0 H VAL A 85 -2.468 -2.867 -8.434 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.546 -2.905 -10.412 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.627 -5.349 -10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.936 -4.944 -8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.621 -3.445 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.227 -3.752 -8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.633 -6.743 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.846 -5.660 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.246 -6.597 -9.463 1.00 0.00 H new ATOM 1410 N THR A 86 -3.264 -5.401 -11.639 1.00 0.00 N ATOM 1411 CA THR A 86 -4.333 -5.742 -12.593 1.00 0.00 C ATOM 1412 C THR A 86 -5.399 -6.631 -11.961 1.00 0.00 C ATOM 1413 O THR A 86 -6.591 -6.356 -12.103 1.00 0.00 O ATOM 1414 CB THR A 86 -3.816 -6.478 -13.835 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.926 -7.509 -13.480 1.00 0.00 O ATOM 1416 CG2 THR A 86 -3.060 -5.532 -14.745 1.00 0.00 C ATOM 0 H THR A 86 -2.986 -6.190 -11.056 1.00 0.00 H new ATOM 0 HA THR A 86 -4.754 -4.780 -12.885 1.00 0.00 H new ATOM 0 HB THR A 86 -4.690 -6.887 -14.342 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.612 -7.964 -14.290 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.703 -6.076 -15.619 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.722 -4.727 -15.064 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.210 -5.111 -14.207 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.979 -7.694 -11.264 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.910 -8.646 -10.626 1.00 0.00 C ATOM 1426 C ASP A 87 -5.339 -9.343 -9.385 1.00 0.00 C ATOM 1427 O ASP A 87 -5.919 -9.235 -8.303 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.357 -9.704 -11.639 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.625 -10.437 -11.165 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.733 -9.869 -11.314 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.519 -11.580 -10.664 1.00 0.00 O ATOM 0 H ASP A 87 -3.995 -7.921 -11.124 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.757 -8.050 -10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.548 -9.230 -12.602 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.554 -10.425 -11.792 1.00 0.00 H new ATOM 1436 N SER A 88 -4.201 -10.038 -9.523 1.00 0.00 N ATOM 1437 CA SER A 88 -3.522 -10.660 -8.377 1.00 0.00 C ATOM 1438 C SER A 88 -3.180 -9.669 -7.286 1.00 0.00 C ATOM 1439 O SER A 88 -2.589 -8.614 -7.507 1.00 0.00 O ATOM 1440 CB SER A 88 -2.215 -11.363 -8.701 1.00 0.00 C ATOM 1441 OG SER A 88 -1.835 -12.208 -7.644 1.00 0.00 O ATOM 0 H SER A 88 -3.731 -10.184 -10.417 1.00 0.00 H new ATOM 0 HA SER A 88 -4.264 -11.391 -8.054 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.325 -11.944 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.434 -10.625 -8.883 1.00 0.00 H new ATOM 0 HG SER A 88 -1.472 -13.043 -8.007 1.00 0.00 H new ATOM 1447 N SER A 89 -3.477 -10.090 -6.075 1.00 0.00 N ATOM 1448 CA SER A 89 -3.315 -9.315 -4.864 1.00 0.00 C ATOM 1449 C SER A 89 -2.027 -9.642 -4.115 1.00 0.00 C ATOM 1450 O SER A 89 -1.789 -9.123 -3.032 1.00 0.00 O ATOM 1451 CB SER A 89 -4.598 -9.501 -4.088 1.00 0.00 C ATOM 1452 OG SER A 89 -4.809 -10.876 -3.770 1.00 0.00 O ATOM 0 H SER A 89 -3.854 -11.022 -5.901 1.00 0.00 H new ATOM 0 HA SER A 89 -3.173 -8.254 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.561 -8.914 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.438 -9.126 -4.673 1.00 0.00 H new ATOM 0 HG SER A 89 -5.644 -10.971 -3.266 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.145 -10.441 -4.736 1.00 0.00 N ATOM 1459 CA ARG A 90 0.268 -10.629 -4.360 1.00 0.00 C ATOM 1460 C ARG A 90 1.065 -9.310 -4.398 1.00 0.00 C ATOM 1461 O ARG A 90 2.042 -9.160 -3.662 1.00 0.00 O ATOM 1462 CB ARG A 90 0.821 -11.694 -5.326 1.00 0.00 C ATOM 1463 CG ARG A 90 2.201 -12.257 -4.946 1.00 0.00 C ATOM 1464 CD ARG A 90 2.795 -13.155 -6.048 1.00 0.00 C ATOM 1465 NE ARG A 90 1.934 -14.317 -6.360 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.073 -14.418 -7.359 1.00 0.00 C ATOM 1467 NH1 ARG A 90 0.217 -15.390 -7.423 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.996 -13.568 -8.333 1.00 0.00 N ATOM 0 H ARG A 90 -1.407 -10.998 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 90 0.362 -10.962 -3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.110 -12.519 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.883 -11.261 -6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.884 -11.432 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.115 -12.829 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.944 -12.564 -6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.777 -13.509 -5.733 1.00 0.00 H new ATOM 0 HE ARG A 90 2.012 -15.124 -5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.197 -16.101 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.436 -15.444 -8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.623 -12.764 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.309 -13.703 -9.075 1.00 0.00 H new ATOM 1482 N TYR A 91 0.601 -8.349 -5.202 1.00 0.00 N ATOM 1483 CA TYR A 91 1.110 -6.977 -5.293 1.00 0.00 C ATOM 1484 C TYR A 91 -0.006 -5.935 -5.161 1.00 0.00 C ATOM 1485 O TYR A 91 -1.180 -6.228 -5.394 1.00 0.00 O ATOM 1486 CB TYR A 91 1.814 -6.754 -6.637 1.00 0.00 C ATOM 1487 CG TYR A 91 2.727 -7.873 -7.065 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.987 -8.033 -6.466 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.276 -8.776 -8.043 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.780 -9.141 -6.817 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.077 -9.861 -8.428 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.322 -10.064 -7.782 1.00 0.00 C ATOM 1493 OH TYR A 91 5.091 -11.146 -8.067 1.00 0.00 O ATOM 0 H TYR A 91 -0.178 -8.515 -5.839 1.00 0.00 H new ATOM 0 HA TYR A 91 1.809 -6.852 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.057 -6.606 -7.408 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.394 -5.833 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.343 -7.313 -5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.308 -8.634 -8.500 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.742 -9.286 -6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.749 -10.533 -9.207 1.00 0.00 H new ATOM 0 HH TYR A 91 4.647 -11.692 -8.749 1.00 0.00 H new ATOM 1503 N PHE A 92 0.391 -4.694 -4.880 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.464 -3.501 -4.890 1.00 0.00 C ATOM 1505 C PHE A 92 0.308 -2.293 -5.423 1.00 0.00 C ATOM 1506 O PHE A 92 1.527 -2.342 -5.583 1.00 0.00 O ATOM 1507 CB PHE A 92 -0.982 -3.214 -3.472 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.796 -4.350 -2.900 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.098 -4.596 -3.380 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.229 -5.195 -1.931 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -3.821 -5.703 -2.910 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -1.967 -6.283 -1.442 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.251 -6.550 -1.943 1.00 0.00 C ATOM 0 H PHE A 92 1.356 -4.481 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.313 -3.686 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.135 -3.014 -2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.592 -2.311 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.539 -3.933 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.230 -5.008 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.812 -5.904 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.546 -6.918 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.802 -7.407 -1.585 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.395 -1.189 -5.646 1.00 0.00 N ATOM 1524 CA VAL A 93 0.181 0.149 -5.820 1.00 0.00 C ATOM 1525 C VAL A 93 -0.499 1.103 -4.846 1.00 0.00 C ATOM 1526 O VAL A 93 -1.720 1.047 -4.698 1.00 0.00 O ATOM 1527 CB VAL A 93 0.039 0.634 -7.274 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.498 2.087 -7.436 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.871 -0.252 -8.207 1.00 0.00 C ATOM 0 H VAL A 93 -1.413 -1.195 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 93 1.249 0.115 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.018 0.572 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.382 2.391 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.107 2.733 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.546 2.172 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.764 0.099 -9.233 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.920 -0.204 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.522 -1.282 -8.138 1.00 0.00 H new ATOM 1539 N ILE A 94 0.266 1.985 -4.196 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.272 3.061 -3.355 1.00 0.00 C ATOM 1541 C ILE A 94 0.312 4.425 -3.756 1.00 0.00 C ATOM 1542 O ILE A 94 1.458 4.518 -4.210 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.128 2.757 -1.837 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.346 2.775 -1.385 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.765 1.402 -1.469 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.500 2.724 0.136 1.00 0.00 C ATOM 0 H ILE A 94 1.285 1.973 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.345 3.114 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.660 3.550 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.867 1.926 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.827 3.677 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.646 1.222 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.826 1.419 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.274 0.605 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.559 2.739 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.005 3.587 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.046 1.809 0.517 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.471 5.495 -3.569 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.037 6.894 -3.737 1.00 0.00 C ATOM 1560 C ARG A 95 0.337 7.462 -2.373 1.00 0.00 C ATOM 1561 O ARG A 95 -0.538 7.811 -1.583 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.122 7.704 -4.478 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.785 9.180 -4.762 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.050 10.079 -3.543 1.00 0.00 C ATOM 1565 NE ARG A 95 -1.019 11.516 -3.867 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.966 12.260 -4.403 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.742 13.528 -4.582 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.124 11.783 -4.765 1.00 0.00 N ATOM 0 H ARG A 95 -1.449 5.413 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 95 0.853 6.955 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.331 7.210 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.039 7.668 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.262 9.263 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.378 9.531 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.023 9.829 -3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.305 9.869 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.148 12.000 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.846 13.931 -4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.463 14.120 -4.995 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.330 10.792 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.824 12.401 -5.176 1.00 0.00 H new ATOM 1582 N ILE A 96 1.635 7.560 -2.107 1.00 0.00 N ATOM 1583 CA ILE A 96 2.201 8.157 -0.893 1.00 0.00 C ATOM 1584 C ILE A 96 2.423 9.665 -1.060 1.00 0.00 C ATOM 1585 O ILE A 96 2.473 10.177 -2.182 1.00 0.00 O ATOM 1586 CB ILE A 96 3.512 7.444 -0.482 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.574 7.497 -1.601 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.226 5.992 -0.064 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.986 7.192 -1.108 1.00 0.00 C ATOM 0 H ILE A 96 2.349 7.216 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 96 1.477 8.019 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 96 3.923 7.979 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.307 6.783 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.562 8.487 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.158 5.505 0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.539 5.986 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.777 5.454 -0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.683 7.246 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.272 7.921 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.013 6.191 -0.678 1.00 0.00 H new ATOM 1601 N GLN A 97 2.644 10.368 0.052 1.00 0.00 N ATOM 1602 CA GLN A 97 3.422 11.610 0.035 1.00 0.00 C ATOM 1603 C GLN A 97 4.911 11.344 0.282 1.00 0.00 C ATOM 1604 O GLN A 97 5.271 10.456 1.058 1.00 0.00 O ATOM 1605 CB GLN A 97 2.856 12.652 1.008 1.00 0.00 C ATOM 1606 CG GLN A 97 1.610 13.338 0.421 1.00 0.00 C ATOM 1607 CD GLN A 97 1.480 14.778 0.902 1.00 0.00 C ATOM 1608 OE1 GLN A 97 0.652 15.124 1.736 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.309 15.668 0.394 1.00 0.00 N ATOM 0 H GLN A 97 2.297 10.101 0.973 1.00 0.00 H new ATOM 0 HA GLN A 97 3.333 12.033 -0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.600 12.171 1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.617 13.400 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.664 13.321 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.719 12.778 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.000 15.384 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.260 16.641 0.695 1.00 0.00 H new ATOM 1682 N SER A 103 3.883 14.262 -3.845 1.00 0.00 N ATOM 1683 CA SER A 103 3.373 12.882 -3.912 1.00 0.00 C ATOM 1684 C SER A 103 4.235 11.961 -4.786 1.00 0.00 C ATOM 1685 O SER A 103 4.952 12.427 -5.674 1.00 0.00 O ATOM 1686 CB SER A 103 1.943 12.880 -4.460 1.00 0.00 C ATOM 1687 OG SER A 103 1.057 13.568 -3.590 1.00 0.00 O ATOM 0 HA SER A 103 3.403 12.494 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.927 13.349 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.603 11.853 -4.591 1.00 0.00 H new ATOM 0 HG SER A 103 1.548 14.265 -3.107 1.00 0.00 H new ATOM 1693 N ALA A 104 4.125 10.647 -4.565 1.00 0.00 N ATOM 1694 CA ALA A 104 4.730 9.600 -5.395 1.00 0.00 C ATOM 1695 C ALA A 104 3.875 8.322 -5.427 1.00 0.00 C ATOM 1696 O ALA A 104 3.204 7.983 -4.451 1.00 0.00 O ATOM 1697 CB ALA A 104 6.147 9.308 -4.881 1.00 0.00 C ATOM 0 H ALA A 104 3.596 10.271 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 104 4.783 9.959 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.603 8.530 -5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.749 10.215 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.096 8.971 -3.846 1.00 0.00 H new ATOM 1703 N PHE A 105 3.929 7.584 -6.537 1.00 0.00 N ATOM 1704 CA PHE A 105 3.363 6.236 -6.642 1.00 0.00 C ATOM 1705 C PHE A 105 4.442 5.179 -6.377 1.00 0.00 C ATOM 1706 O PHE A 105 5.536 5.245 -6.944 1.00 0.00 O ATOM 1707 CB PHE A 105 2.706 6.041 -8.015 1.00 0.00 C ATOM 1708 CG PHE A 105 1.715 7.133 -8.369 1.00 0.00 C ATOM 1709 CD1 PHE A 105 0.441 7.150 -7.774 1.00 0.00 C ATOM 1710 CD2 PHE A 105 2.091 8.170 -9.245 1.00 0.00 C ATOM 1711 CE1 PHE A 105 -0.456 8.191 -8.066 1.00 0.00 C ATOM 1712 CE2 PHE A 105 1.198 9.220 -9.520 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.081 9.228 -8.935 1.00 0.00 C ATOM 0 H PHE A 105 4.371 7.908 -7.397 1.00 0.00 H new ATOM 0 HA PHE A 105 2.590 6.115 -5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.482 6.004 -8.779 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.196 5.078 -8.032 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.152 6.363 -7.093 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.067 8.158 -9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.439 8.194 -7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.494 10.021 -10.181 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.772 10.029 -9.153 1.00 0.00 H new ATOM 1723 N ILE A 106 4.125 4.187 -5.544 1.00 0.00 N ATOM 1724 CA ILE A 106 4.970 3.002 -5.314 1.00 0.00 C ATOM 1725 C ILE A 106 4.195 1.693 -5.468 1.00 0.00 C ATOM 1726 O ILE A 106 3.061 1.563 -5.010 1.00 0.00 O ATOM 1727 CB ILE A 106 5.704 3.030 -3.955 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.750 3.267 -2.761 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.826 4.084 -3.981 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.377 2.998 -1.387 1.00 0.00 C ATOM 0 H ILE A 106 3.263 4.179 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 106 5.729 3.044 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 106 6.141 2.043 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.399 4.298 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.874 2.629 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.337 4.095 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.539 3.837 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.397 5.067 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.640 3.189 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.702 1.959 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.235 3.655 -1.244 1.00 0.00 H new ATOM 1742 N GLY A 107 4.853 0.708 -6.078 1.00 0.00 N ATOM 1743 CA GLY A 107 4.406 -0.681 -6.144 1.00 0.00 C ATOM 1744 C GLY A 107 4.927 -1.474 -4.950 1.00 0.00 C ATOM 1745 O GLY A 107 6.100 -1.358 -4.583 1.00 0.00 O ATOM 0 H GLY A 107 5.741 0.861 -6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.317 -0.717 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.756 -1.137 -7.070 1.00 0.00 H new ATOM 1749 N ILE A 108 4.055 -2.278 -4.349 1.00 0.00 N ATOM 1750 CA ILE A 108 4.340 -3.125 -3.188 1.00 0.00 C ATOM 1751 C ILE A 108 4.272 -4.600 -3.608 1.00 0.00 C ATOM 1752 O ILE A 108 3.386 -4.975 -4.375 1.00 0.00 O ATOM 1753 CB ILE A 108 3.352 -2.865 -2.025 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.142 -1.350 -1.782 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.865 -3.582 -0.764 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.392 -1.006 -0.493 1.00 0.00 C ATOM 0 H ILE A 108 3.090 -2.363 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 108 5.340 -2.880 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 108 2.374 -3.268 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.116 -0.861 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.594 -0.933 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.175 -3.405 0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.933 -4.653 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.851 -3.197 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.292 0.076 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.402 -1.461 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.947 -1.388 0.364 1.00 0.00 H new ATOM 1768 N GLY A 109 5.138 -5.446 -3.051 1.00 0.00 N ATOM 1769 CA GLY A 109 5.035 -6.907 -3.084 1.00 0.00 C ATOM 1770 C GLY A 109 5.268 -7.517 -1.699 1.00 0.00 C ATOM 1771 O GLY A 109 6.120 -7.068 -0.931 1.00 0.00 O ATOM 0 H GLY A 109 5.962 -5.122 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.049 -7.195 -3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.765 -7.309 -3.787 1.00 0.00 H new ATOM 1775 N PHE A 110 4.472 -8.524 -1.360 1.00 0.00 N ATOM 1776 CA PHE A 110 4.417 -9.108 -0.014 1.00 0.00 C ATOM 1777 C PHE A 110 5.270 -10.365 0.196 1.00 0.00 C ATOM 1778 O PHE A 110 5.669 -11.051 -0.748 1.00 0.00 O ATOM 1779 CB PHE A 110 2.951 -9.371 0.331 1.00 0.00 C ATOM 1780 CG PHE A 110 2.303 -8.218 1.064 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.852 -7.087 0.360 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.185 -8.272 2.465 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.283 -6.009 1.059 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.580 -7.213 3.160 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.151 -6.073 2.455 1.00 0.00 C ATOM 0 H PHE A 110 3.834 -8.969 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 110 4.864 -8.381 0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.397 -9.569 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.883 -10.269 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.943 -7.047 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.560 -9.128 3.006 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.948 -5.133 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.444 -7.273 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.717 -5.242 2.992 1.00 0.00 H new ATOM 1795 N THR A 111 5.497 -10.686 1.475 1.00 0.00 N ATOM 1796 CA THR A 111 6.181 -11.912 1.921 1.00 0.00 C ATOM 1797 C THR A 111 5.343 -13.177 1.681 1.00 0.00 C ATOM 1798 O THR A 111 5.884 -14.254 1.422 1.00 0.00 O ATOM 1799 CB THR A 111 6.585 -11.760 3.398 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.640 -12.632 3.723 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.442 -11.986 4.390 1.00 0.00 C ATOM 0 H THR A 111 5.205 -10.089 2.249 1.00 0.00 H new ATOM 0 HA THR A 111 7.080 -12.041 1.318 1.00 0.00 H new ATOM 0 HB THR A 111 6.897 -10.720 3.495 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.413 -12.111 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 111 5.813 -11.860 5.407 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.648 -11.264 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.050 -12.996 4.269 1.00 0.00 H new ATOM 1809 N ASP A 112 4.012 -13.040 1.709 1.00 0.00 N ATOM 1810 CA ASP A 112 3.032 -14.088 1.413 1.00 0.00 C ATOM 1811 C ASP A 112 1.784 -13.482 0.749 1.00 0.00 C ATOM 1812 O ASP A 112 1.316 -12.416 1.161 1.00 0.00 O ATOM 1813 CB ASP A 112 2.640 -14.816 2.711 1.00 0.00 C ATOM 1814 CG ASP A 112 2.008 -16.185 2.419 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.688 -17.224 2.594 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.832 -16.218 1.991 1.00 0.00 O ATOM 0 H ASP A 112 3.570 -12.153 1.950 1.00 0.00 H new ATOM 0 HA ASP A 112 3.479 -14.804 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.523 -14.948 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.938 -14.203 3.276 1.00 0.00 H new ATOM 1821 N ARG A 113 1.198 -14.163 -0.243 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.031 -13.698 -0.914 1.00 0.00 C ATOM 1823 C ARG A 113 -1.242 -13.690 0.031 1.00 0.00 C ATOM 1824 O ARG A 113 -2.123 -12.850 -0.122 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.239 -14.531 -2.196 1.00 0.00 C ATOM 1826 CG ARG A 113 -1.130 -13.856 -3.255 1.00 0.00 C ATOM 1827 CD ARG A 113 -2.611 -14.215 -3.154 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.438 -13.501 -4.146 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.630 -13.843 -5.407 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.453 -13.195 -6.168 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -3.039 -14.843 -5.983 1.00 0.00 N ATOM 0 H ARG A 113 1.556 -15.047 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 113 0.080 -12.654 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.734 -14.743 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.681 -15.490 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.024 -12.775 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.768 -14.132 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.731 -15.289 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.970 -13.981 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.910 -12.656 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.972 -12.399 -5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.582 -13.480 -7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.381 -15.418 -5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.232 -15.054 -6.962 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.258 -14.543 1.058 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.240 -14.516 2.148 1.00 0.00 C ATOM 1847 C GLY A 114 -2.051 -13.344 3.123 1.00 0.00 C ATOM 1848 O GLY A 114 -3.036 -12.812 3.636 1.00 0.00 O ATOM 0 H GLY A 114 -0.572 -15.291 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.242 -14.464 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.179 -15.452 2.703 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.815 -12.872 3.330 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.551 -11.631 4.076 1.00 0.00 C ATOM 1854 C ASP A 115 -0.952 -10.389 3.260 1.00 0.00 C ATOM 1855 O ASP A 115 -1.479 -9.424 3.814 1.00 0.00 O ATOM 1856 CB ASP A 115 0.909 -11.568 4.556 1.00 0.00 C ATOM 1857 CG ASP A 115 1.194 -12.540 5.718 1.00 0.00 C ATOM 1858 OD1 ASP A 115 0.335 -12.673 6.624 1.00 0.00 O ATOM 1859 OD2 ASP A 115 2.294 -13.136 5.758 1.00 0.00 O ATOM 0 H ASP A 115 0.027 -13.335 2.988 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.178 -11.637 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.572 -11.800 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.140 -10.551 4.873 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.803 -10.451 1.936 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.266 -9.421 1.010 1.00 0.00 C ATOM 1866 C ALA A 116 -2.802 -9.374 0.874 1.00 0.00 C ATOM 1867 O ALA A 116 -3.398 -8.298 0.826 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.609 -9.692 -0.336 1.00 0.00 C ATOM 0 H ALA A 116 -0.347 -11.235 1.470 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.983 -8.443 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.932 -8.940 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.475 -9.649 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.899 -10.682 -0.690 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.479 -10.527 0.897 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.943 -10.589 0.944 1.00 0.00 C ATOM 1876 C PHE A 117 -5.504 -9.872 2.191 1.00 0.00 C ATOM 1877 O PHE A 117 -6.569 -9.259 2.146 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.373 -12.059 0.872 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.868 -12.309 0.772 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.561 -12.886 1.855 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.564 -12.026 -0.421 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.925 -13.205 1.734 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.924 -12.354 -0.544 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.606 -12.948 0.531 1.00 0.00 C ATOM 0 H PHE A 117 -3.028 -11.442 0.884 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.360 -10.058 0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.889 -12.517 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.997 -12.571 1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.042 -13.084 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.049 -11.554 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.451 -13.648 2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.447 -12.149 -1.467 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.650 -13.206 0.434 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.746 -9.858 3.291 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.108 -9.178 4.539 1.00 0.00 C ATOM 1896 C ASP A 118 -4.779 -7.667 4.507 1.00 0.00 C ATOM 1897 O ASP A 118 -5.408 -6.883 5.218 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.416 -9.915 5.697 1.00 0.00 C ATOM 1899 CG ASP A 118 -5.057 -9.701 7.080 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -6.278 -9.430 7.175 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -4.337 -9.902 8.087 1.00 0.00 O ATOM 0 H ASP A 118 -3.843 -10.330 3.340 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.188 -9.218 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.411 -10.983 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.375 -9.594 5.742 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.865 -7.227 3.625 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.684 -5.810 3.281 1.00 0.00 C ATOM 1908 C PHE A 119 -4.926 -5.257 2.563 1.00 0.00 C ATOM 1909 O PHE A 119 -5.357 -4.144 2.858 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.393 -5.615 2.453 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.219 -4.263 1.770 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.353 -3.301 2.312 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -2.893 -3.964 0.569 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.246 -2.027 1.738 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.764 -2.695 -0.032 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.955 -1.719 0.567 1.00 0.00 C ATOM 0 H PHE A 119 -3.228 -7.850 3.129 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.569 -5.237 4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.539 -5.777 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.358 -6.390 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.762 -3.545 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.515 -4.715 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.616 -1.280 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.287 -2.475 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.878 -0.735 0.129 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.544 -6.034 1.662 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.721 -5.570 0.923 1.00 0.00 C ATOM 1928 C ASN A 120 -8.045 -5.764 1.671 1.00 0.00 C ATOM 1929 O ASN A 120 -8.912 -4.894 1.594 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.711 -6.134 -0.501 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.359 -7.487 -0.726 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.703 -8.475 -1.013 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.666 -7.539 -0.697 1.00 0.00 N ATOM 0 H ASN A 120 -5.248 -6.982 1.430 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.649 -4.486 0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.206 -5.413 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.674 -6.200 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.147 -8.412 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.204 -6.707 -0.456 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.228 -6.860 2.412 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.506 -7.125 3.094 1.00 0.00 C ATOM 1942 C VAL A 121 -9.712 -6.213 4.308 1.00 0.00 C ATOM 1943 O VAL A 121 -10.844 -5.805 4.571 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.650 -8.622 3.439 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.827 -8.934 4.375 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.874 -9.447 2.164 1.00 0.00 C ATOM 0 H VAL A 121 -7.516 -7.576 2.557 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.310 -6.880 2.400 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.720 -8.883 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.862 -10.006 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.697 -8.398 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.759 -8.620 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.974 -10.501 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.783 -9.109 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.024 -9.318 1.493 1.00 0.00 H new ATOM 1956 N SER A 122 -8.637 -5.787 4.984 1.00 0.00 N ATOM 1957 CA SER A 122 -8.711 -4.731 6.010 1.00 0.00 C ATOM 1958 C SER A 122 -9.193 -3.385 5.449 1.00 0.00 C ATOM 1959 O SER A 122 -9.798 -2.610 6.190 1.00 0.00 O ATOM 1960 CB SER A 122 -7.368 -4.541 6.725 1.00 0.00 C ATOM 1961 OG SER A 122 -6.307 -4.353 5.813 1.00 0.00 O ATOM 0 H SER A 122 -7.698 -6.159 4.839 1.00 0.00 H new ATOM 0 HA SER A 122 -9.453 -5.075 6.731 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.430 -3.681 7.391 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.162 -5.412 7.347 1.00 0.00 H new ATOM 0 HG SER A 122 -6.031 -5.220 5.449 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.997 -3.120 4.151 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.531 -1.941 3.457 1.00 0.00 C ATOM 1969 C LEU A 123 -10.953 -2.173 2.921 1.00 0.00 C ATOM 1970 O LEU A 123 -11.813 -1.309 3.098 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.568 -1.526 2.337 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.189 -1.076 2.854 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.183 -1.146 1.714 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.231 0.352 3.407 1.00 0.00 C ATOM 0 H LEU A 123 -8.452 -3.731 3.542 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.610 -1.128 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.436 -2.364 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.016 -0.714 1.764 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.895 -1.742 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.204 -0.829 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.120 -2.170 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.503 -0.489 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.240 0.634 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.543 1.038 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.940 0.401 4.233 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.248 -3.346 2.347 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.610 -3.716 1.930 1.00 0.00 C ATOM 1988 C GLN A 124 -13.600 -3.576 3.101 1.00 0.00 C ATOM 1989 O GLN A 124 -14.600 -2.870 2.990 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.647 -5.164 1.401 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.955 -5.401 0.047 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.775 -4.943 -1.162 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.659 -4.100 -1.091 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -12.510 -5.477 -2.334 1.00 0.00 N ATOM 0 H GLN A 124 -10.551 -4.066 2.158 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.905 -3.036 1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.183 -5.814 2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.689 -5.472 1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.999 -4.878 0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.737 -6.464 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.778 -6.182 -2.419 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -13.037 -5.186 -3.158 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.286 -4.169 4.256 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.117 -4.116 5.468 1.00 0.00 C ATOM 2005 C ASP A 125 -14.028 -2.774 6.222 1.00 0.00 C ATOM 2006 O ASP A 125 -14.796 -2.539 7.154 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.697 -5.280 6.376 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.683 -5.540 7.523 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.861 -5.849 7.232 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -14.277 -5.493 8.709 1.00 0.00 O ATOM 0 H ASP A 125 -12.431 -4.711 4.380 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.162 -4.204 5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.602 -6.185 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.712 -5.070 6.793 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.132 -1.870 5.813 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.092 -0.486 6.310 1.00 0.00 C ATOM 2017 C HIS A 126 -14.057 0.416 5.538 1.00 0.00 C ATOM 2018 O HIS A 126 -14.745 1.230 6.148 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.663 0.063 6.269 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.565 1.511 6.676 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.339 2.578 5.807 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.631 1.989 7.952 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.259 3.673 6.576 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.425 3.348 7.868 1.00 0.00 N ATOM 0 H HIS A 126 -12.409 -2.077 5.124 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.421 -0.495 7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -11.033 -0.535 6.928 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.267 -0.050 5.260 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -11.252 2.534 4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.809 1.416 8.850 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.086 4.674 6.209 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.169 0.237 4.218 1.00 0.00 N ATOM 2033 CA PHE A 127 -15.096 1.011 3.389 1.00 0.00 C ATOM 2034 C PHE A 127 -16.502 0.394 3.273 1.00 0.00 C ATOM 2035 O PHE A 127 -17.438 1.122 2.938 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.444 1.340 2.038 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.373 2.409 2.178 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.739 3.769 2.237 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -12.023 2.048 2.348 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.766 4.750 2.496 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -11.044 3.030 2.574 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.419 4.380 2.662 1.00 0.00 C ATOM 0 H PHE A 127 -13.621 -0.447 3.696 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.286 1.954 3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -14.004 0.436 1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.208 1.679 1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.768 4.058 2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.737 1.007 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -13.053 5.789 2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -10.007 2.747 2.680 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.672 5.135 2.857 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.702 -0.892 3.616 1.00 0.00 N ATOM 2053 CA LYS A 128 -18.010 -1.577 3.486 1.00 0.00 C ATOM 2054 C LYS A 128 -19.157 -0.931 4.278 1.00 0.00 C ATOM 2055 O LYS A 128 -20.316 -1.068 3.886 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.883 -3.095 3.743 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.751 -3.547 5.208 1.00 0.00 C ATOM 2058 CD LYS A 128 -19.107 -3.839 5.859 1.00 0.00 C ATOM 2059 CE LYS A 128 -19.045 -4.084 7.370 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.523 -5.430 7.713 1.00 0.00 N ATOM 0 H LYS A 128 -15.965 -1.489 3.991 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.305 -1.442 2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.757 -3.585 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -17.013 -3.460 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -17.130 -4.442 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.237 -2.773 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.777 -3.001 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.546 -4.714 5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.412 -3.326 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -20.042 -3.967 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.837 -5.691 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.882 -6.126 7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.484 -5.418 7.681 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.849 -0.236 5.379 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.825 0.397 6.283 1.00 0.00 C ATOM 2076 C TRP A 129 -19.917 1.934 6.135 1.00 0.00 C ATOM 2077 O TRP A 129 -20.653 2.586 6.880 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.535 -0.078 7.717 1.00 0.00 C ATOM 2079 CG TRP A 129 -18.143 0.174 8.216 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -17.098 -0.681 8.137 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.613 1.380 8.844 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.967 -0.082 8.649 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.217 1.203 9.079 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -18.173 2.621 9.201 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.411 2.219 9.618 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.379 3.649 9.750 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.999 3.454 9.947 1.00 0.00 C ATOM 0 H TRP A 129 -17.884 -0.092 5.678 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.827 0.074 6.001 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -20.237 0.412 8.391 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.733 -1.148 7.773 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.143 -1.682 7.734 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -15.055 -0.535 8.703 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -19.229 2.789 9.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.356 2.055 9.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.832 4.591 10.021 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.392 4.251 10.350 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.207 2.515 5.161 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.131 3.964 4.861 1.00 0.00 C ATOM 2100 C VAL A 130 -19.268 4.222 3.346 1.00 0.00 C ATOM 2101 O VAL A 130 -19.750 3.361 2.607 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.879 4.623 5.513 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.307 5.391 6.768 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.749 3.673 5.893 1.00 0.00 C ATOM 0 H VAL A 130 -18.636 1.963 4.521 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.983 4.462 5.324 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.472 5.273 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.433 5.854 7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -19.025 6.164 6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.767 4.702 7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.931 4.240 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -17.116 2.941 6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.391 3.158 5.001 1.00 0.00 H new