USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 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 77 TYR OH : rot 180:sc= 0.102 USER MOD Set 1.2: A 120 ASN : amide:sc= -1.03 K(o=-1.9,f=0.69) USER MOD Set 1.3: A 124 GLN : amide:sc= -0.953 K(o=-1.9,f=0.4) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 180:sc= 1.56 (180deg=1.07) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.458 K(o=2,f=-1.5) 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 Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.189 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 2.05 (180deg=1.75) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 31 TYR OH : rot -36:sc= 0.122 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 1.2 (180deg=1.11) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -150:sc= 0 USER MOD Single : A 51 SER OG : rot 26:sc= 0.194 USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.22) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.19) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.471 K(o=0.47,f=-0.14) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.361 USER MOD Single : A 91 TYR OH : rot -26:sc= 1 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot -31:sc= 0.534 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -130:sc= -0.0241 USER MOD Single : A 126 HIS : no HD1:sc= 0.378 K(o=0.98,f=-4.6!) USER MOD Single : A 128 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.28) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -4.718 8.513 14.396 1.00 0.00 N ATOM 172 CA GLU A 8 -5.053 7.386 13.528 1.00 0.00 C ATOM 173 C GLU A 8 -5.230 6.120 14.387 1.00 0.00 C ATOM 174 O GLU A 8 -4.454 5.852 15.309 1.00 0.00 O ATOM 175 CB GLU A 8 -3.999 7.191 12.419 1.00 0.00 C ATOM 176 CG GLU A 8 -2.544 6.998 12.885 1.00 0.00 C ATOM 177 CD GLU A 8 -1.763 8.314 13.072 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.199 8.815 12.068 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.636 8.810 14.217 1.00 0.00 O ATOM 0 HA GLU A 8 -5.993 7.595 13.018 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.285 6.324 11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.034 8.057 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.545 6.452 13.828 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.020 6.377 12.158 1.00 0.00 H new ATOM 186 N SER A 9 -6.272 5.345 14.099 1.00 0.00 N ATOM 187 CA SER A 9 -6.598 4.092 14.791 1.00 0.00 C ATOM 188 C SER A 9 -6.076 2.886 14.013 1.00 0.00 C ATOM 189 O SER A 9 -6.364 2.760 12.828 1.00 0.00 O ATOM 190 CB SER A 9 -8.113 3.976 14.979 1.00 0.00 C ATOM 191 OG SER A 9 -8.565 4.929 15.930 1.00 0.00 O ATOM 0 H SER A 9 -6.934 5.574 13.358 1.00 0.00 H new ATOM 0 HA SER A 9 -6.114 4.106 15.767 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.618 4.135 14.026 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.369 2.970 15.312 1.00 0.00 H new ATOM 0 HG SER A 9 -9.535 4.846 16.040 1.00 0.00 H new ATOM 197 N VAL A 10 -5.309 1.987 14.630 1.00 0.00 N ATOM 198 CA VAL A 10 -4.690 0.853 13.911 1.00 0.00 C ATOM 199 C VAL A 10 -5.748 -0.148 13.420 1.00 0.00 C ATOM 200 O VAL A 10 -6.688 -0.479 14.145 1.00 0.00 O ATOM 201 CB VAL A 10 -3.619 0.155 14.766 1.00 0.00 C ATOM 202 CG1 VAL A 10 -2.882 -0.954 13.999 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.555 1.135 15.281 1.00 0.00 C ATOM 0 H VAL A 10 -5.096 2.015 15.627 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.191 1.264 13.033 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.172 -0.275 15.601 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.138 -1.413 14.649 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.597 -1.710 13.676 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.387 -0.526 13.127 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.821 0.594 15.879 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.056 1.608 14.435 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.031 1.899 15.895 1.00 0.00 H new ATOM 213 N LEU A 11 -5.569 -0.643 12.191 1.00 0.00 N ATOM 214 CA LEU A 11 -6.444 -1.612 11.518 1.00 0.00 C ATOM 215 C LEU A 11 -5.713 -2.924 11.187 1.00 0.00 C ATOM 216 O LEU A 11 -6.260 -4.004 11.414 1.00 0.00 O ATOM 217 CB LEU A 11 -6.991 -1.012 10.210 1.00 0.00 C ATOM 218 CG LEU A 11 -7.890 0.229 10.333 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.374 0.597 8.930 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.110 -0.016 11.225 1.00 0.00 C ATOM 0 H LEU A 11 -4.776 -0.368 11.612 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.258 -1.835 12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.143 -0.754 9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.554 -1.788 9.691 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.308 1.029 10.790 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.016 1.476 8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.516 0.814 8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.936 -0.236 8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.711 0.892 11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.710 -0.824 10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.779 -0.291 12.227 1.00 0.00 H new ATOM 232 N CYS A 12 -4.483 -2.834 10.664 1.00 0.00 N ATOM 233 CA CYS A 12 -3.653 -3.986 10.302 1.00 0.00 C ATOM 234 C CYS A 12 -2.166 -3.743 10.586 1.00 0.00 C ATOM 235 O CYS A 12 -1.685 -2.609 10.592 1.00 0.00 O ATOM 236 CB CYS A 12 -3.906 -4.376 8.834 1.00 0.00 C ATOM 237 SG CYS A 12 -3.316 -6.061 8.488 1.00 0.00 S ATOM 0 H CYS A 12 -4.030 -1.939 10.478 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.943 -4.825 10.934 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.972 -4.310 8.616 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.401 -3.669 8.175 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.548 -6.355 7.243 1.00 0.00 H new ATOM 243 N VAL A 13 -1.434 -4.833 10.793 1.00 0.00 N ATOM 244 CA VAL A 13 0.024 -4.868 10.918 1.00 0.00 C ATOM 245 C VAL A 13 0.538 -6.158 10.282 1.00 0.00 C ATOM 246 O VAL A 13 0.045 -7.241 10.609 1.00 0.00 O ATOM 247 CB VAL A 13 0.453 -4.695 12.393 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.161 -5.704 13.374 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.978 -4.737 12.558 1.00 0.00 C ATOM 0 H VAL A 13 -1.856 -5.757 10.882 1.00 0.00 H new ATOM 0 HA VAL A 13 0.475 -4.031 10.384 1.00 0.00 H new ATOM 0 HB VAL A 13 0.062 -3.711 12.650 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.202 -5.499 14.381 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.247 -5.616 13.354 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.126 -6.715 13.084 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.234 -4.611 13.610 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.356 -5.696 12.205 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.429 -3.933 11.977 1.00 0.00 H new ATOM 259 N LYS A 14 1.507 -6.056 9.359 1.00 0.00 N ATOM 260 CA LYS A 14 2.175 -7.231 8.758 1.00 0.00 C ATOM 261 C LYS A 14 3.699 -7.259 8.954 1.00 0.00 C ATOM 262 O LYS A 14 4.345 -6.217 8.819 1.00 0.00 O ATOM 263 CB LYS A 14 1.782 -7.461 7.283 1.00 0.00 C ATOM 264 CG LYS A 14 0.326 -7.905 7.101 1.00 0.00 C ATOM 265 CD LYS A 14 0.059 -9.288 7.710 1.00 0.00 C ATOM 266 CE LYS A 14 -1.374 -9.680 7.392 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.756 -10.967 8.015 1.00 0.00 N ATOM 0 H LYS A 14 1.851 -5.163 9.007 1.00 0.00 H new ATOM 0 HA LYS A 14 1.790 -8.077 9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.945 -6.540 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.440 -8.216 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.335 -7.173 7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.085 -7.926 6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.753 -10.023 7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.216 -9.265 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.048 -8.897 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.498 -9.751 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.788 -11.087 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.289 -11.748 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.460 -10.971 9.012 1.00 0.00 H new ATOM 281 N PRO A 15 4.265 -8.449 9.248 1.00 0.00 N ATOM 282 CA PRO A 15 5.641 -8.631 9.726 1.00 0.00 C ATOM 283 C PRO A 15 6.728 -8.375 8.671 1.00 0.00 C ATOM 284 O PRO A 15 7.848 -8.005 9.026 1.00 0.00 O ATOM 285 CB PRO A 15 5.695 -10.089 10.213 1.00 0.00 C ATOM 286 CG PRO A 15 4.622 -10.799 9.383 1.00 0.00 C ATOM 287 CD PRO A 15 3.558 -9.727 9.284 1.00 0.00 C ATOM 0 HA PRO A 15 5.858 -7.897 10.502 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.680 -10.527 10.051 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.486 -10.161 11.280 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.994 -11.100 8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.253 -11.699 9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.953 -9.862 8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.880 -9.772 10.136 1.00 0.00 H new ATOM 295 N ASP A 16 6.420 -8.582 7.389 1.00 0.00 N ATOM 296 CA ASP A 16 7.364 -8.450 6.277 1.00 0.00 C ATOM 297 C ASP A 16 6.647 -7.968 5.006 1.00 0.00 C ATOM 298 O ASP A 16 5.634 -8.542 4.598 1.00 0.00 O ATOM 299 CB ASP A 16 8.061 -9.801 6.051 1.00 0.00 C ATOM 300 CG ASP A 16 9.149 -9.746 4.969 1.00 0.00 C ATOM 301 OD1 ASP A 16 9.860 -8.719 4.887 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.336 -10.756 4.252 1.00 0.00 O ATOM 0 H ASP A 16 5.484 -8.853 7.088 1.00 0.00 H new ATOM 0 HA ASP A 16 8.116 -7.700 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.506 -10.134 6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.315 -10.545 5.770 1.00 0.00 H new ATOM 307 N VAL A 17 7.165 -6.905 4.386 1.00 0.00 N ATOM 308 CA VAL A 17 6.601 -6.266 3.189 1.00 0.00 C ATOM 309 C VAL A 17 7.734 -5.627 2.382 1.00 0.00 C ATOM 310 O VAL A 17 8.676 -5.075 2.961 1.00 0.00 O ATOM 311 CB VAL A 17 5.507 -5.241 3.573 1.00 0.00 C ATOM 312 CG1 VAL A 17 6.012 -4.063 4.413 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.780 -4.691 2.343 1.00 0.00 C ATOM 0 H VAL A 17 8.017 -6.448 4.712 1.00 0.00 H new ATOM 0 HA VAL A 17 6.115 -7.017 2.566 1.00 0.00 H new ATOM 0 HB VAL A 17 4.816 -5.814 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.181 -3.394 4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.439 -4.436 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.775 -3.520 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.021 -3.975 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.497 -4.195 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.304 -5.511 1.805 1.00 0.00 H new ATOM 323 N SER A 18 7.646 -5.697 1.053 1.00 0.00 N ATOM 324 CA SER A 18 8.681 -5.211 0.132 1.00 0.00 C ATOM 325 C SER A 18 8.106 -4.231 -0.895 1.00 0.00 C ATOM 326 O SER A 18 6.985 -4.397 -1.369 1.00 0.00 O ATOM 327 CB SER A 18 9.375 -6.392 -0.561 1.00 0.00 C ATOM 328 OG SER A 18 9.803 -7.371 0.374 1.00 0.00 O ATOM 0 H SER A 18 6.840 -6.100 0.575 1.00 0.00 H new ATOM 0 HA SER A 18 9.423 -4.667 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.691 -6.847 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.233 -6.029 -1.127 1.00 0.00 H new ATOM 0 HG SER A 18 10.239 -8.109 -0.101 1.00 0.00 H new ATOM 334 N VAL A 19 8.858 -3.188 -1.238 1.00 0.00 N ATOM 335 CA VAL A 19 8.388 -2.036 -2.027 1.00 0.00 C ATOM 336 C VAL A 19 9.124 -1.917 -3.355 1.00 0.00 C ATOM 337 O VAL A 19 10.348 -2.041 -3.412 1.00 0.00 O ATOM 338 CB VAL A 19 8.492 -0.750 -1.192 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.519 0.531 -2.037 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.303 -0.716 -0.227 1.00 0.00 C ATOM 0 H VAL A 19 9.839 -3.112 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 19 7.339 -2.196 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 19 9.442 -0.773 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.593 1.398 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.379 0.507 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.604 0.598 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.352 0.188 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.373 -0.722 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.337 -1.591 0.423 1.00 0.00 H new ATOM 350 N TYR A 20 8.365 -1.591 -4.401 1.00 0.00 N ATOM 351 CA TYR A 20 8.848 -1.321 -5.755 1.00 0.00 C ATOM 352 C TYR A 20 8.456 0.099 -6.191 1.00 0.00 C ATOM 353 O TYR A 20 7.311 0.348 -6.536 1.00 0.00 O ATOM 354 CB TYR A 20 8.264 -2.371 -6.723 1.00 0.00 C ATOM 355 CG TYR A 20 8.366 -3.812 -6.258 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.208 -4.605 -6.146 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.617 -4.354 -5.919 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.304 -5.936 -5.703 1.00 0.00 C ATOM 359 CE2 TYR A 20 9.711 -5.672 -5.431 1.00 0.00 C ATOM 360 CZ TYR A 20 8.554 -6.467 -5.323 1.00 0.00 C ATOM 361 OH TYR A 20 8.657 -7.736 -4.843 1.00 0.00 O ATOM 0 H TYR A 20 7.352 -1.504 -4.324 1.00 0.00 H new ATOM 0 HA TYR A 20 9.936 -1.388 -5.771 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.214 -2.136 -6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.774 -2.279 -7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.244 -4.190 -6.401 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.510 -3.758 -6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.419 -6.553 -5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.671 -6.073 -5.140 1.00 0.00 H new ATOM 0 HH TYR A 20 9.594 -7.931 -4.633 1.00 0.00 H new ATOM 371 N ARG A 21 9.379 1.056 -6.225 1.00 0.00 N ATOM 372 CA ARG A 21 9.212 2.333 -6.950 1.00 0.00 C ATOM 373 C ARG A 21 8.914 2.081 -8.437 1.00 0.00 C ATOM 374 O ARG A 21 9.607 1.277 -9.070 1.00 0.00 O ATOM 375 CB ARG A 21 10.477 3.192 -6.780 1.00 0.00 C ATOM 376 CG ARG A 21 10.648 3.723 -5.343 1.00 0.00 C ATOM 377 CD ARG A 21 12.064 4.245 -5.053 1.00 0.00 C ATOM 378 NE ARG A 21 12.533 5.231 -6.046 1.00 0.00 N ATOM 379 CZ ARG A 21 13.443 5.055 -6.992 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.769 6.051 -7.765 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.047 3.920 -7.211 1.00 0.00 N ATOM 0 H ARG A 21 10.277 0.976 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 21 8.362 2.871 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.352 2.601 -7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.435 4.034 -7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.930 4.525 -5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.410 2.926 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.081 4.700 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.757 3.404 -5.030 1.00 0.00 H new ATOM 0 HE ARG A 21 12.106 6.156 -5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.324 6.960 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.469 5.922 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.826 3.106 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.740 3.846 -7.956 1.00 0.00 H new ATOM 395 N ILE A 22 7.896 2.762 -8.981 1.00 0.00 N ATOM 396 CA ILE A 22 7.382 2.560 -10.356 1.00 0.00 C ATOM 397 C ILE A 22 7.380 3.859 -11.194 1.00 0.00 C ATOM 398 O ILE A 22 7.095 4.929 -10.647 1.00 0.00 O ATOM 399 CB ILE A 22 5.975 1.905 -10.357 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.852 2.862 -9.893 1.00 0.00 C ATOM 401 CG2 ILE A 22 5.979 0.624 -9.523 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.488 2.202 -9.666 1.00 0.00 C ATOM 0 H ILE A 22 7.391 3.487 -8.471 1.00 0.00 H new ATOM 0 HA ILE A 22 8.079 1.871 -10.834 1.00 0.00 H new ATOM 0 HB ILE A 22 5.751 1.656 -11.394 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.165 3.342 -8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.737 3.650 -10.637 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.984 0.179 -9.535 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.697 -0.081 -9.942 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.259 0.859 -8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.769 2.955 -9.343 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.145 1.747 -10.595 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.579 1.434 -8.898 1.00 0.00 H new ATOM 414 N PRO A 23 7.643 3.793 -12.517 1.00 0.00 N ATOM 415 CA PRO A 23 7.521 4.948 -13.409 1.00 0.00 C ATOM 416 C PRO A 23 6.084 5.418 -13.764 1.00 0.00 C ATOM 417 O PRO A 23 5.879 6.636 -13.785 1.00 0.00 O ATOM 418 CB PRO A 23 8.373 4.629 -14.644 1.00 0.00 C ATOM 419 CG PRO A 23 8.611 3.120 -14.619 1.00 0.00 C ATOM 420 CD PRO A 23 8.322 2.686 -13.181 1.00 0.00 C ATOM 0 HA PRO A 23 7.883 5.825 -12.872 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.860 4.927 -15.558 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.317 5.173 -14.616 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.956 2.607 -15.323 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.635 2.879 -14.904 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.699 1.791 -13.168 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.248 2.437 -12.662 1.00 0.00 H new ATOM 428 N PRO A 24 5.082 4.554 -14.052 1.00 0.00 N ATOM 429 CA PRO A 24 3.758 4.996 -14.508 1.00 0.00 C ATOM 430 C PRO A 24 2.825 5.452 -13.372 1.00 0.00 C ATOM 431 O PRO A 24 2.952 5.023 -12.223 1.00 0.00 O ATOM 432 CB PRO A 24 3.168 3.798 -15.261 1.00 0.00 C ATOM 433 CG PRO A 24 3.761 2.610 -14.510 1.00 0.00 C ATOM 434 CD PRO A 24 5.165 3.106 -14.176 1.00 0.00 C ATOM 0 HA PRO A 24 3.859 5.881 -15.136 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.078 3.795 -15.229 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.456 3.798 -16.312 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.190 2.370 -13.613 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.783 1.710 -15.124 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.522 2.659 -13.249 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.870 2.825 -14.958 1.00 0.00 H new ATOM 525 N GLY A 30 -4.502 -0.859 -15.534 1.00 0.00 N ATOM 526 CA GLY A 30 -4.250 -0.424 -14.159 1.00 0.00 C ATOM 527 C GLY A 30 -2.798 0.019 -13.989 1.00 0.00 C ATOM 528 O GLY A 30 -2.463 1.168 -14.268 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.918 0.399 -13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.470 -1.238 -13.469 1.00 0.00 H new ATOM 532 N TYR A 31 -1.926 -0.907 -13.584 1.00 0.00 N ATOM 533 CA TYR A 31 -0.476 -0.681 -13.468 1.00 0.00 C ATOM 534 C TYR A 31 0.396 -1.831 -13.979 1.00 0.00 C ATOM 535 O TYR A 31 1.461 -1.561 -14.526 1.00 0.00 O ATOM 536 CB TYR A 31 -0.113 -0.446 -12.004 1.00 0.00 C ATOM 537 CG TYR A 31 -0.500 0.909 -11.474 1.00 0.00 C ATOM 538 CD1 TYR A 31 0.414 1.974 -11.585 1.00 0.00 C ATOM 539 CD2 TYR A 31 -1.727 1.079 -10.807 1.00 0.00 C ATOM 540 CE1 TYR A 31 0.119 3.208 -10.980 1.00 0.00 C ATOM 541 CE2 TYR A 31 -2.032 2.319 -10.220 1.00 0.00 C ATOM 542 CZ TYR A 31 -1.102 3.381 -10.285 1.00 0.00 C ATOM 543 OH TYR A 31 -1.372 4.544 -9.634 1.00 0.00 O ATOM 0 H TYR A 31 -2.208 -1.852 -13.322 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.271 0.185 -14.098 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.596 -1.211 -11.396 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.963 -0.575 -11.884 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.336 1.844 -12.132 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.430 0.262 -10.746 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.824 4.024 -11.045 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.978 2.460 -9.719 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.548 4.895 -9.237 1.00 0.00 H new ATOM 553 N ARG A 32 -0.048 -3.082 -13.775 1.00 0.00 N ATOM 554 CA ARG A 32 0.620 -4.368 -14.011 1.00 0.00 C ATOM 555 C ARG A 32 2.065 -4.454 -13.474 1.00 0.00 C ATOM 556 O ARG A 32 2.985 -3.914 -14.076 1.00 0.00 O ATOM 557 CB ARG A 32 0.506 -4.796 -15.494 1.00 0.00 C ATOM 558 CG ARG A 32 -0.597 -4.175 -16.384 1.00 0.00 C ATOM 559 CD ARG A 32 -0.065 -3.102 -17.343 1.00 0.00 C ATOM 560 NE ARG A 32 0.704 -3.711 -18.448 1.00 0.00 N ATOM 561 CZ ARG A 32 1.666 -3.126 -19.133 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.470 -3.817 -19.885 1.00 0.00 N ATOM 563 NH2 ARG A 32 1.877 -1.847 -19.067 1.00 0.00 N ATOM 0 H ARG A 32 -0.985 -3.230 -13.400 1.00 0.00 H new ATOM 0 HA ARG A 32 0.075 -5.095 -13.409 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.465 -4.587 -15.969 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.370 -5.877 -15.512 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.076 -4.965 -16.962 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.365 -3.736 -15.747 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.898 -2.527 -17.749 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.569 -2.403 -16.797 1.00 0.00 H new ATOM 0 HE ARG A 32 0.469 -4.670 -18.704 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.362 -4.829 -19.952 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.209 -3.347 -20.408 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.289 -1.263 -18.472 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.630 -1.426 -19.610 1.00 0.00 H new ATOM 577 N ALA A 33 2.301 -5.231 -12.408 1.00 0.00 N ATOM 578 CA ALA A 33 3.646 -5.447 -11.837 1.00 0.00 C ATOM 579 C ALA A 33 4.684 -5.955 -12.860 1.00 0.00 C ATOM 580 O ALA A 33 5.877 -5.697 -12.725 1.00 0.00 O ATOM 581 CB ALA A 33 3.539 -6.424 -10.656 1.00 0.00 C ATOM 0 H ALA A 33 1.564 -5.732 -11.912 1.00 0.00 H new ATOM 0 HA ALA A 33 4.011 -4.475 -11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.528 -6.589 -10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.881 -6.005 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.132 -7.373 -11.005 1.00 0.00 H new ATOM 587 N SER A 34 4.208 -6.639 -13.907 1.00 0.00 N ATOM 588 CA SER A 34 4.991 -7.138 -15.043 1.00 0.00 C ATOM 589 C SER A 34 5.595 -6.025 -15.931 1.00 0.00 C ATOM 590 O SER A 34 6.601 -6.249 -16.606 1.00 0.00 O ATOM 591 CB SER A 34 4.055 -8.037 -15.859 1.00 0.00 C ATOM 592 OG SER A 34 4.774 -8.826 -16.788 1.00 0.00 O ATOM 0 H SER A 34 3.218 -6.871 -13.989 1.00 0.00 H new ATOM 0 HA SER A 34 5.856 -7.681 -14.662 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.494 -8.686 -15.186 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.328 -7.422 -16.389 1.00 0.00 H new ATOM 0 HG SER A 34 4.150 -9.389 -17.291 1.00 0.00 H new ATOM 598 N ASP A 35 5.022 -4.811 -15.928 1.00 0.00 N ATOM 599 CA ASP A 35 5.531 -3.656 -16.692 1.00 0.00 C ATOM 600 C ASP A 35 6.786 -3.021 -16.060 1.00 0.00 C ATOM 601 O ASP A 35 7.678 -2.548 -16.770 1.00 0.00 O ATOM 602 CB ASP A 35 4.414 -2.611 -16.789 1.00 0.00 C ATOM 603 CG ASP A 35 4.789 -1.447 -17.721 1.00 0.00 C ATOM 604 OD1 ASP A 35 5.180 -0.367 -17.220 1.00 0.00 O ATOM 605 OD2 ASP A 35 4.652 -1.599 -18.960 1.00 0.00 O ATOM 0 H ASP A 35 4.182 -4.599 -15.389 1.00 0.00 H new ATOM 0 HA ASP A 35 5.828 -4.011 -17.679 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.504 -3.087 -17.153 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.195 -2.222 -15.795 1.00 0.00 H new ATOM 610 N TRP A 36 6.853 -3.036 -14.727 1.00 0.00 N ATOM 611 CA TRP A 36 7.922 -2.471 -13.894 1.00 0.00 C ATOM 612 C TRP A 36 8.651 -3.583 -13.108 1.00 0.00 C ATOM 613 O TRP A 36 8.760 -4.717 -13.584 1.00 0.00 O ATOM 614 CB TRP A 36 7.352 -1.304 -13.058 1.00 0.00 C ATOM 615 CG TRP A 36 5.918 -1.391 -12.643 1.00 0.00 C ATOM 616 CD1 TRP A 36 4.892 -0.887 -13.359 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.320 -1.989 -11.453 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.701 -1.150 -12.722 1.00 0.00 N ATOM 619 CE2 TRP A 36 3.908 -1.770 -11.507 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.823 -2.669 -10.323 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.052 -2.172 -10.472 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.968 -3.083 -9.283 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.588 -2.823 -9.347 1.00 0.00 C ATOM 0 H TRP A 36 6.120 -3.468 -14.165 1.00 0.00 H new ATOM 0 HA TRP A 36 8.711 -2.030 -14.503 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.958 -1.207 -12.157 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.482 -0.385 -13.630 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.991 -0.356 -14.294 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.783 -0.916 -13.100 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.881 -2.875 -10.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.991 -1.983 -10.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.376 -3.604 -8.430 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.942 -3.122 -8.535 1.00 0.00 H new ATOM 634 N LYS A 37 9.224 -3.269 -11.938 1.00 0.00 N ATOM 635 CA LYS A 37 9.992 -4.216 -11.116 1.00 0.00 C ATOM 636 C LYS A 37 9.076 -5.167 -10.362 1.00 0.00 C ATOM 637 O LYS A 37 8.387 -4.813 -9.410 1.00 0.00 O ATOM 638 CB LYS A 37 10.969 -3.475 -10.195 1.00 0.00 C ATOM 639 CG LYS A 37 11.882 -2.508 -10.974 1.00 0.00 C ATOM 640 CD LYS A 37 13.154 -2.129 -10.204 1.00 0.00 C ATOM 641 CE LYS A 37 12.899 -1.693 -8.757 1.00 0.00 C ATOM 642 NZ LYS A 37 12.283 -0.344 -8.653 1.00 0.00 N ATOM 0 H LYS A 37 9.166 -2.336 -11.529 1.00 0.00 H new ATOM 0 HA LYS A 37 10.594 -4.836 -11.780 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.407 -2.918 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.582 -4.200 -9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.162 -2.967 -11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.324 -1.602 -11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.833 -2.982 -10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.659 -1.321 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.247 -2.421 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.842 -1.698 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.920 -0.202 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.998 0.381 -8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.500 -0.267 -9.333 1.00 0.00 H new ATOM 656 N LEU A 38 9.120 -6.399 -10.845 1.00 0.00 N ATOM 657 CA LEU A 38 8.230 -7.491 -10.507 1.00 0.00 C ATOM 658 C LEU A 38 8.692 -8.296 -9.272 1.00 0.00 C ATOM 659 O LEU A 38 7.863 -8.920 -8.613 1.00 0.00 O ATOM 660 CB LEU A 38 8.152 -8.299 -11.817 1.00 0.00 C ATOM 661 CG LEU A 38 7.314 -9.565 -11.736 1.00 0.00 C ATOM 662 CD1 LEU A 38 5.829 -9.281 -11.508 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.451 -10.377 -13.022 1.00 0.00 C ATOM 0 H LEU A 38 9.825 -6.677 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 38 7.244 -7.158 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.743 -7.659 -12.599 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.163 -8.568 -12.122 1.00 0.00 H new ATOM 0 HG LEU A 38 7.693 -10.123 -10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.282 -10.222 -11.459 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.702 -8.738 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.443 -8.680 -12.331 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.845 -11.280 -12.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.110 -9.780 -13.868 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.495 -10.652 -13.169 1.00 0.00 H new ATOM 675 N ASP A 39 9.986 -8.285 -8.930 1.00 0.00 N ATOM 676 CA ASP A 39 10.498 -8.902 -7.689 1.00 0.00 C ATOM 677 C ASP A 39 11.811 -8.264 -7.161 1.00 0.00 C ATOM 678 O ASP A 39 12.576 -8.914 -6.445 1.00 0.00 O ATOM 679 CB ASP A 39 10.621 -10.430 -7.880 1.00 0.00 C ATOM 680 CG ASP A 39 10.518 -11.203 -6.549 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.434 -12.003 -6.236 1.00 0.00 O ATOM 682 OD2 ASP A 39 9.482 -11.071 -5.849 1.00 0.00 O ATOM 0 H ASP A 39 10.711 -7.850 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 39 9.769 -8.700 -6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.838 -10.772 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.575 -10.658 -8.356 1.00 0.00 H new ATOM 687 N GLN A 40 12.104 -7.006 -7.529 1.00 0.00 N ATOM 688 CA GLN A 40 13.372 -6.313 -7.204 1.00 0.00 C ATOM 689 C GLN A 40 13.137 -5.098 -6.281 1.00 0.00 C ATOM 690 O GLN A 40 12.829 -4.015 -6.785 1.00 0.00 O ATOM 691 CB GLN A 40 14.107 -5.885 -8.491 1.00 0.00 C ATOM 692 CG GLN A 40 14.335 -7.031 -9.482 1.00 0.00 C ATOM 693 CD GLN A 40 15.306 -6.636 -10.594 1.00 0.00 C ATOM 694 OE1 GLN A 40 16.497 -6.921 -10.548 1.00 0.00 O ATOM 695 NE2 GLN A 40 14.851 -5.956 -11.627 1.00 0.00 N ATOM 0 H GLN A 40 11.460 -6.429 -8.069 1.00 0.00 H new ATOM 0 HA GLN A 40 14.002 -7.020 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.532 -5.100 -8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.071 -5.453 -8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.725 -7.899 -8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.382 -7.327 -9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.862 -5.711 -11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.487 -5.675 -12.373 1.00 0.00 H new ATOM 704 N PRO A 41 13.235 -5.235 -4.944 1.00 0.00 N ATOM 705 CA PRO A 41 12.809 -4.188 -4.014 1.00 0.00 C ATOM 706 C PRO A 41 13.762 -2.988 -3.936 1.00 0.00 C ATOM 707 O PRO A 41 14.986 -3.124 -3.996 1.00 0.00 O ATOM 708 CB PRO A 41 12.639 -4.882 -2.662 1.00 0.00 C ATOM 709 CG PRO A 41 13.635 -6.039 -2.735 1.00 0.00 C ATOM 710 CD PRO A 41 13.583 -6.444 -4.208 1.00 0.00 C ATOM 0 HA PRO A 41 11.879 -3.739 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.863 -4.210 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.619 -5.238 -2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.636 -5.729 -2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.347 -6.861 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.544 -6.839 -4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.843 -7.227 -4.372 1.00 0.00 H new ATOM 718 N ASP A 42 13.182 -1.804 -3.729 1.00 0.00 N ATOM 719 CA ASP A 42 13.884 -0.568 -3.363 1.00 0.00 C ATOM 720 C ASP A 42 14.018 -0.430 -1.842 1.00 0.00 C ATOM 721 O ASP A 42 14.997 0.127 -1.339 1.00 0.00 O ATOM 722 CB ASP A 42 13.110 0.650 -3.894 1.00 0.00 C ATOM 723 CG ASP A 42 12.980 0.684 -5.416 1.00 0.00 C ATOM 724 OD1 ASP A 42 13.792 1.362 -6.086 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.006 0.109 -5.949 1.00 0.00 O ATOM 0 H ASP A 42 12.174 -1.673 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 42 14.879 -0.613 -3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.113 0.655 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.610 1.560 -3.561 1.00 0.00 H new ATOM 730 N TRP A 43 13.026 -0.949 -1.114 1.00 0.00 N ATOM 731 CA TRP A 43 12.940 -0.936 0.342 1.00 0.00 C ATOM 732 C TRP A 43 12.161 -2.158 0.841 1.00 0.00 C ATOM 733 O TRP A 43 11.235 -2.616 0.171 1.00 0.00 O ATOM 734 CB TRP A 43 12.249 0.362 0.786 1.00 0.00 C ATOM 735 CG TRP A 43 11.968 0.476 2.253 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.777 1.063 3.162 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.801 0.004 2.999 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.202 0.981 4.416 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.975 0.352 4.371 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.610 -0.676 2.659 1.00 0.00 C ATOM 741 CZ2 TRP A 43 10.009 0.065 5.344 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.642 -0.993 3.633 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.838 -0.618 4.973 1.00 0.00 C ATOM 0 H TRP A 43 12.226 -1.410 -1.547 1.00 0.00 H new ATOM 0 HA TRP A 43 13.942 -0.979 0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.872 1.205 0.487 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.307 0.454 0.245 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.728 1.526 2.942 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.631 1.341 5.268 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.438 -0.959 1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.163 0.366 6.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.747 -1.526 3.349 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.091 -0.854 5.716 1.00 0.00 H new ATOM 754 N THR A 44 12.497 -2.669 2.026 1.00 0.00 N ATOM 755 CA THR A 44 11.721 -3.687 2.741 1.00 0.00 C ATOM 756 C THR A 44 11.661 -3.386 4.237 1.00 0.00 C ATOM 757 O THR A 44 12.550 -2.736 4.799 1.00 0.00 O ATOM 758 CB THR A 44 12.266 -5.106 2.501 1.00 0.00 C ATOM 759 OG1 THR A 44 13.488 -5.315 3.180 1.00 0.00 O ATOM 760 CG2 THR A 44 12.515 -5.440 1.033 1.00 0.00 C ATOM 0 H THR A 44 13.336 -2.381 2.529 1.00 0.00 H new ATOM 0 HA THR A 44 10.709 -3.650 2.338 1.00 0.00 H new ATOM 0 HB THR A 44 11.478 -5.756 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.806 -6.226 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.898 -6.457 0.951 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.581 -5.358 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.245 -4.743 0.620 1.00 0.00 H new ATOM 768 N GLY A 45 10.598 -3.848 4.891 1.00 0.00 N ATOM 769 CA GLY A 45 10.344 -3.560 6.298 1.00 0.00 C ATOM 770 C GLY A 45 9.038 -4.166 6.803 1.00 0.00 C ATOM 771 O GLY A 45 8.768 -5.349 6.586 1.00 0.00 O ATOM 0 H GLY A 45 9.886 -4.435 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.171 -3.942 6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.317 -2.480 6.443 1.00 0.00 H new ATOM 775 N ARG A 46 8.249 -3.343 7.492 1.00 0.00 N ATOM 776 CA ARG A 46 7.018 -3.690 8.220 1.00 0.00 C ATOM 777 C ARG A 46 5.844 -2.822 7.756 1.00 0.00 C ATOM 778 O ARG A 46 6.006 -1.633 7.483 1.00 0.00 O ATOM 779 CB ARG A 46 7.304 -3.548 9.728 1.00 0.00 C ATOM 780 CG ARG A 46 6.136 -3.961 10.637 1.00 0.00 C ATOM 781 CD ARG A 46 6.531 -3.957 12.119 1.00 0.00 C ATOM 782 NE ARG A 46 6.685 -2.596 12.670 1.00 0.00 N ATOM 783 CZ ARG A 46 7.438 -2.240 13.694 1.00 0.00 C ATOM 784 NH1 ARG A 46 7.295 -1.049 14.189 1.00 0.00 N ATOM 785 NH2 ARG A 46 8.304 -3.036 14.258 1.00 0.00 N ATOM 0 H ARG A 46 8.463 -2.348 7.565 1.00 0.00 H new ATOM 0 HA ARG A 46 6.724 -4.719 8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.175 -4.153 9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.564 -2.511 9.940 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.299 -3.280 10.483 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.793 -4.957 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.774 -4.492 12.693 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.468 -4.501 12.241 1.00 0.00 H new ATOM 0 HE ARG A 46 6.155 -1.854 12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.611 -0.408 13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.867 -0.754 14.980 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.425 -3.987 13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.860 -2.707 15.048 1.00 0.00 H new ATOM 799 N LEU A 47 4.654 -3.411 7.683 1.00 0.00 N ATOM 800 CA LEU A 47 3.413 -2.717 7.328 1.00 0.00 C ATOM 801 C LEU A 47 2.668 -2.263 8.588 1.00 0.00 C ATOM 802 O LEU A 47 2.461 -3.072 9.494 1.00 0.00 O ATOM 803 CB LEU A 47 2.531 -3.688 6.525 1.00 0.00 C ATOM 804 CG LEU A 47 1.150 -3.142 6.102 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.238 -2.292 4.840 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.180 -4.301 5.881 1.00 0.00 C ATOM 0 H LEU A 47 4.519 -4.404 7.872 1.00 0.00 H new ATOM 0 HA LEU A 47 3.646 -1.833 6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.074 -3.986 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.379 -4.589 7.120 1.00 0.00 H new ATOM 0 HG LEU A 47 0.785 -2.503 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.245 -1.928 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.900 -1.445 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.632 -2.895 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.793 -3.910 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.565 -4.953 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.075 -4.869 6.806 1.00 0.00 H new ATOM 818 N ARG A 48 2.128 -1.043 8.573 1.00 0.00 N ATOM 819 CA ARG A 48 0.933 -0.660 9.338 1.00 0.00 C ATOM 820 C ARG A 48 -0.156 -0.168 8.389 1.00 0.00 C ATOM 821 O ARG A 48 0.107 0.537 7.415 1.00 0.00 O ATOM 822 CB ARG A 48 1.249 0.416 10.397 1.00 0.00 C ATOM 823 CG ARG A 48 2.386 0.044 11.359 1.00 0.00 C ATOM 824 CD ARG A 48 2.059 -1.137 12.284 1.00 0.00 C ATOM 825 NE ARG A 48 1.449 -0.710 13.556 1.00 0.00 N ATOM 826 CZ ARG A 48 2.090 -0.269 14.627 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.438 -0.041 15.731 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.372 -0.044 14.643 1.00 0.00 N ATOM 0 H ARG A 48 2.513 -0.278 8.020 1.00 0.00 H new ATOM 0 HA ARG A 48 0.579 -1.544 9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.509 1.344 9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.348 0.613 10.978 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.276 -0.198 10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.631 0.913 11.969 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.380 -1.818 11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.972 -1.694 12.493 1.00 0.00 H new ATOM 0 HE ARG A 48 0.432 -0.759 13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.432 -0.202 15.772 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.934 0.299 16.555 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.929 -0.208 13.804 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.820 0.296 15.494 1.00 0.00 H new ATOM 842 N ILE A 49 -1.395 -0.505 8.711 1.00 0.00 N ATOM 843 CA ILE A 49 -2.589 0.152 8.183 1.00 0.00 C ATOM 844 C ILE A 49 -3.330 0.726 9.379 1.00 0.00 C ATOM 845 O ILE A 49 -3.575 0.023 10.360 1.00 0.00 O ATOM 846 CB ILE A 49 -3.459 -0.808 7.350 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.624 -1.382 6.186 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.725 -0.109 6.833 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.428 -2.215 5.188 1.00 0.00 C ATOM 0 H ILE A 49 -1.607 -1.261 9.362 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.320 0.947 7.488 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.786 -1.628 7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.148 -0.558 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.825 -1.999 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.317 -0.814 6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.314 0.248 7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.443 0.736 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.766 -2.580 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.882 -3.062 5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.210 -1.598 4.746 1.00 0.00 H new ATOM 861 N THR A 50 -3.674 2.001 9.301 1.00 0.00 N ATOM 862 CA THR A 50 -4.383 2.749 10.345 1.00 0.00 C ATOM 863 C THR A 50 -5.542 3.530 9.709 1.00 0.00 C ATOM 864 O THR A 50 -5.678 3.547 8.485 1.00 0.00 O ATOM 865 CB THR A 50 -3.414 3.696 11.074 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.972 4.701 10.192 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.152 3.011 11.606 1.00 0.00 C ATOM 0 H THR A 50 -3.463 2.571 8.482 1.00 0.00 H new ATOM 0 HA THR A 50 -4.788 2.055 11.082 1.00 0.00 H new ATOM 0 HB THR A 50 -3.983 4.087 11.917 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.070 4.986 10.447 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.522 3.747 12.106 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.432 2.232 12.315 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.602 2.566 10.776 1.00 0.00 H new ATOM 875 N SER A 51 -6.393 4.182 10.502 1.00 0.00 N ATOM 876 CA SER A 51 -7.465 5.047 10.011 1.00 0.00 C ATOM 877 C SER A 51 -7.866 6.128 11.010 1.00 0.00 C ATOM 878 O SER A 51 -8.269 5.843 12.136 1.00 0.00 O ATOM 879 CB SER A 51 -8.708 4.242 9.615 1.00 0.00 C ATOM 880 OG SER A 51 -9.238 3.500 10.702 1.00 0.00 O ATOM 0 H SER A 51 -6.356 4.123 11.520 1.00 0.00 H new ATOM 0 HA SER A 51 -7.055 5.539 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.472 4.921 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.454 3.561 8.803 1.00 0.00 H new ATOM 0 HG SER A 51 -8.994 3.936 11.545 1.00 0.00 H new ATOM 886 N LYS A 52 -7.824 7.385 10.581 1.00 0.00 N ATOM 887 CA LYS A 52 -8.395 8.538 11.287 1.00 0.00 C ATOM 888 C LYS A 52 -9.868 8.717 10.884 1.00 0.00 C ATOM 889 O LYS A 52 -10.246 9.639 10.159 1.00 0.00 O ATOM 890 CB LYS A 52 -7.490 9.741 11.016 1.00 0.00 C ATOM 891 CG LYS A 52 -7.801 10.967 11.877 1.00 0.00 C ATOM 892 CD LYS A 52 -7.209 12.237 11.255 1.00 0.00 C ATOM 893 CE LYS A 52 -5.728 12.125 10.861 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.283 13.280 10.044 1.00 0.00 N ATOM 0 H LYS A 52 -7.377 7.643 9.701 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.422 8.400 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.454 9.447 11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.577 10.017 9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.880 11.078 11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.396 10.825 12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.789 12.496 10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.322 13.059 11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.117 12.061 11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.570 11.203 10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.279 13.166 9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.848 13.327 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.409 14.158 10.587 1.00 0.00 H new ATOM 908 N GLY A 53 -10.683 7.746 11.291 1.00 0.00 N ATOM 909 CA GLY A 53 -12.110 7.637 10.965 1.00 0.00 C ATOM 910 C GLY A 53 -12.340 7.106 9.546 1.00 0.00 C ATOM 911 O GLY A 53 -11.816 6.052 9.183 1.00 0.00 O ATOM 0 H GLY A 53 -10.357 6.981 11.881 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.595 6.975 11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.580 8.615 11.066 1.00 0.00 H new ATOM 915 N LYS A 54 -13.084 7.854 8.719 1.00 0.00 N ATOM 916 CA LYS A 54 -13.413 7.558 7.302 1.00 0.00 C ATOM 917 C LYS A 54 -12.240 7.749 6.321 1.00 0.00 C ATOM 918 O LYS A 54 -12.421 7.802 5.106 1.00 0.00 O ATOM 919 CB LYS A 54 -14.712 8.331 6.974 1.00 0.00 C ATOM 920 CG LYS A 54 -15.353 8.138 5.587 1.00 0.00 C ATOM 921 CD LYS A 54 -15.226 9.392 4.705 1.00 0.00 C ATOM 922 CE LYS A 54 -16.121 9.271 3.468 1.00 0.00 C ATOM 923 NZ LYS A 54 -16.036 10.492 2.628 1.00 0.00 N ATOM 0 H LYS A 54 -13.499 8.732 9.030 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.598 6.493 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.456 8.061 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.505 9.394 7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.880 7.294 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.407 7.887 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.505 10.276 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.188 9.525 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.823 8.401 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.154 9.109 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.677 10.399 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.311 11.321 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.060 10.612 2.288 1.00 0.00 H new ATOM 937 N THR A 55 -11.019 7.776 6.846 1.00 0.00 N ATOM 938 CA THR A 55 -9.773 7.871 6.083 1.00 0.00 C ATOM 939 C THR A 55 -8.780 6.835 6.593 1.00 0.00 C ATOM 940 O THR A 55 -8.362 6.924 7.746 1.00 0.00 O ATOM 941 CB THR A 55 -9.163 9.275 6.217 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.132 10.295 6.056 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.140 9.479 5.108 1.00 0.00 C ATOM 0 H THR A 55 -10.861 7.731 7.853 1.00 0.00 H new ATOM 0 HA THR A 55 -9.994 7.683 5.032 1.00 0.00 H new ATOM 0 HB THR A 55 -8.724 9.339 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.703 11.171 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.702 10.473 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.355 8.728 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.630 9.382 4.139 1.00 0.00 H new ATOM 951 N ALA A 56 -8.400 5.863 5.761 1.00 0.00 N ATOM 952 CA ALA A 56 -7.314 4.925 6.052 1.00 0.00 C ATOM 953 C ALA A 56 -5.951 5.518 5.658 1.00 0.00 C ATOM 954 O ALA A 56 -5.867 6.430 4.835 1.00 0.00 O ATOM 955 CB ALA A 56 -7.576 3.570 5.376 1.00 0.00 C ATOM 0 H ALA A 56 -8.843 5.703 4.856 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.283 4.751 7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.759 2.886 5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.512 3.153 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.643 3.709 4.297 1.00 0.00 H new ATOM 961 N TYR A 57 -4.870 4.989 6.223 1.00 0.00 N ATOM 962 CA TYR A 57 -3.503 5.357 5.881 1.00 0.00 C ATOM 963 C TYR A 57 -2.651 4.089 5.826 1.00 0.00 C ATOM 964 O TYR A 57 -2.607 3.321 6.790 1.00 0.00 O ATOM 965 CB TYR A 57 -2.938 6.357 6.901 1.00 0.00 C ATOM 966 CG TYR A 57 -3.676 7.681 7.019 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.167 8.836 6.391 1.00 0.00 C ATOM 968 CD2 TYR A 57 -4.866 7.767 7.770 1.00 0.00 C ATOM 969 CE1 TYR A 57 -3.846 10.066 6.508 1.00 0.00 C ATOM 970 CE2 TYR A 57 -5.569 8.981 7.849 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.057 10.139 7.231 1.00 0.00 C ATOM 972 OH TYR A 57 -5.727 11.320 7.341 1.00 0.00 O ATOM 0 H TYR A 57 -4.923 4.275 6.949 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.488 5.844 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.930 5.880 7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.900 6.565 6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.253 8.778 5.818 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.239 6.895 8.287 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.440 10.953 6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.505 9.027 8.385 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.540 11.187 7.872 1.00 0.00 H new ATOM 982 N ILE A 58 -1.956 3.876 4.707 1.00 0.00 N ATOM 983 CA ILE A 58 -0.944 2.822 4.587 1.00 0.00 C ATOM 984 C ILE A 58 0.381 3.419 5.055 1.00 0.00 C ATOM 985 O ILE A 58 0.966 4.226 4.332 1.00 0.00 O ATOM 986 CB ILE A 58 -0.829 2.281 3.143 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.167 2.053 2.409 1.00 0.00 C ATOM 988 CG2 ILE A 58 0.021 1.004 3.178 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.127 1.073 3.080 1.00 0.00 C ATOM 0 H ILE A 58 -2.078 4.428 3.858 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.227 1.967 5.201 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.350 3.059 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.671 3.013 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.953 1.693 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.117 0.603 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.011 1.236 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.460 0.264 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.035 0.986 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.651 0.096 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.381 1.437 4.076 1.00 0.00 H new ATOM 1001 N LYS A 59 0.832 3.080 6.265 1.00 0.00 N ATOM 1002 CA LYS A 59 2.060 3.627 6.873 1.00 0.00 C ATOM 1003 C LYS A 59 3.134 2.544 7.005 1.00 0.00 C ATOM 1004 O LYS A 59 2.928 1.524 7.655 1.00 0.00 O ATOM 1005 CB LYS A 59 1.739 4.336 8.203 1.00 0.00 C ATOM 1006 CG LYS A 59 0.672 5.430 8.010 1.00 0.00 C ATOM 1007 CD LYS A 59 0.708 6.523 9.088 1.00 0.00 C ATOM 1008 CE LYS A 59 -0.360 7.575 8.755 1.00 0.00 C ATOM 1009 NZ LYS A 59 -0.175 8.835 9.513 1.00 0.00 N ATOM 0 H LYS A 59 0.351 2.408 6.864 1.00 0.00 H new ATOM 0 HA LYS A 59 2.477 4.387 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.387 3.606 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.648 4.779 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.810 5.892 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.315 4.967 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.520 6.091 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.695 6.985 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.332 7.790 7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.347 7.167 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.921 9.510 9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.229 8.638 10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.755 9.242 9.288 1.00 0.00 H new ATOM 1023 N LEU A 60 4.278 2.746 6.360 1.00 0.00 N ATOM 1024 CA LEU A 60 5.345 1.747 6.245 1.00 0.00 C ATOM 1025 C LEU A 60 6.473 2.041 7.243 1.00 0.00 C ATOM 1026 O LEU A 60 6.962 3.169 7.312 1.00 0.00 O ATOM 1027 CB LEU A 60 5.840 1.721 4.789 1.00 0.00 C ATOM 1028 CG LEU A 60 4.792 1.241 3.763 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.345 1.408 2.350 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.435 -0.234 3.956 1.00 0.00 C ATOM 0 H LEU A 60 4.498 3.625 5.892 1.00 0.00 H new ATOM 0 HA LEU A 60 4.964 0.757 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.168 2.723 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.713 1.072 4.727 1.00 0.00 H new ATOM 0 HG LEU A 60 3.896 1.844 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.604 1.069 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.573 2.459 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.254 0.816 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.694 -0.529 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.331 -0.844 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.025 -0.381 4.955 1.00 0.00 H new ATOM 1042 N GLU A 61 6.889 1.037 8.012 1.00 0.00 N ATOM 1043 CA GLU A 61 7.814 1.163 9.147 1.00 0.00 C ATOM 1044 C GLU A 61 9.084 0.314 8.972 1.00 0.00 C ATOM 1045 O GLU A 61 9.057 -0.740 8.335 1.00 0.00 O ATOM 1046 CB GLU A 61 7.121 0.736 10.451 1.00 0.00 C ATOM 1047 CG GLU A 61 5.912 1.597 10.838 1.00 0.00 C ATOM 1048 CD GLU A 61 5.417 1.246 12.253 1.00 0.00 C ATOM 1049 OE1 GLU A 61 5.322 0.040 12.600 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.104 2.166 13.040 1.00 0.00 O ATOM 0 H GLU A 61 6.582 0.076 7.860 1.00 0.00 H new ATOM 0 HA GLU A 61 8.105 2.212 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.797 -0.300 10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.849 0.768 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.183 2.652 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.107 1.445 10.119 1.00 0.00 H new ATOM 1057 N ASP A 62 10.195 0.714 9.597 1.00 0.00 N ATOM 1058 CA ASP A 62 11.377 -0.126 9.718 1.00 0.00 C ATOM 1059 C ASP A 62 11.056 -1.350 10.601 1.00 0.00 C ATOM 1060 O ASP A 62 10.325 -1.246 11.592 1.00 0.00 O ATOM 1061 CB ASP A 62 12.533 0.727 10.254 1.00 0.00 C ATOM 1062 CG ASP A 62 13.814 -0.097 10.374 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.706 0.012 9.502 1.00 0.00 O ATOM 1064 OD2 ASP A 62 13.883 -0.882 11.345 1.00 0.00 O ATOM 0 H ASP A 62 10.294 1.631 10.032 1.00 0.00 H new ATOM 0 HA ASP A 62 11.685 -0.519 8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.703 1.574 9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.267 1.135 11.229 1.00 0.00 H new ATOM 1069 N LYS A 63 11.606 -2.518 10.246 1.00 0.00 N ATOM 1070 CA LYS A 63 11.260 -3.817 10.844 1.00 0.00 C ATOM 1071 C LYS A 63 11.702 -3.937 12.309 1.00 0.00 C ATOM 1072 O LYS A 63 11.181 -4.784 13.037 1.00 0.00 O ATOM 1073 CB LYS A 63 11.864 -4.909 9.943 1.00 0.00 C ATOM 1074 CG LYS A 63 11.393 -6.336 10.266 1.00 0.00 C ATOM 1075 CD LYS A 63 11.885 -7.349 9.220 1.00 0.00 C ATOM 1076 CE LYS A 63 11.100 -7.262 7.905 1.00 0.00 C ATOM 1077 NZ LYS A 63 11.668 -8.174 6.882 1.00 0.00 N ATOM 0 H LYS A 63 12.319 -2.590 9.520 1.00 0.00 H new ATOM 0 HA LYS A 63 10.177 -3.930 10.888 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.616 -4.684 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.950 -4.871 10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.758 -6.625 11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.304 -6.358 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.943 -7.176 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.798 -8.357 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.055 -7.517 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.119 -6.237 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.962 -8.344 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.515 -7.741 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.926 -9.078 7.327 1.00 0.00 H new ATOM 1091 N VAL A 64 12.627 -3.080 12.747 1.00 0.00 N ATOM 1092 CA VAL A 64 13.266 -3.131 14.069 1.00 0.00 C ATOM 1093 C VAL A 64 13.273 -1.799 14.813 1.00 0.00 C ATOM 1094 O VAL A 64 13.205 -1.804 16.045 1.00 0.00 O ATOM 1095 CB VAL A 64 14.704 -3.669 13.968 1.00 0.00 C ATOM 1096 CG1 VAL A 64 14.707 -5.199 13.853 1.00 0.00 C ATOM 1097 CG2 VAL A 64 15.565 -3.094 12.839 1.00 0.00 C ATOM 0 H VAL A 64 12.964 -2.306 12.175 1.00 0.00 H new ATOM 0 HA VAL A 64 12.649 -3.814 14.653 1.00 0.00 H new ATOM 0 HB VAL A 64 15.165 -3.331 14.896 1.00 0.00 H new ATOM 0 HG11 VAL A 64 15.734 -5.557 13.783 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.232 -5.631 14.734 1.00 0.00 H new ATOM 0 HG13 VAL A 64 14.157 -5.498 12.961 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.555 -3.548 12.869 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.096 -3.309 11.879 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.657 -2.015 12.965 1.00 0.00 H new ATOM 1107 N SER A 65 13.301 -0.669 14.104 1.00 0.00 N ATOM 1108 CA SER A 65 13.341 0.665 14.719 1.00 0.00 C ATOM 1109 C SER A 65 11.996 1.395 14.641 1.00 0.00 C ATOM 1110 O SER A 65 11.826 2.450 15.255 1.00 0.00 O ATOM 1111 CB SER A 65 14.464 1.501 14.092 1.00 0.00 C ATOM 1112 OG SER A 65 15.728 0.896 14.328 1.00 0.00 O ATOM 0 H SER A 65 13.297 -0.650 13.084 1.00 0.00 H new ATOM 0 HA SER A 65 13.550 0.528 15.780 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.296 1.599 13.019 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.453 2.508 14.510 1.00 0.00 H new ATOM 0 HG SER A 65 16.433 1.441 13.920 1.00 0.00 H new ATOM 1118 N GLY A 66 11.032 0.845 13.891 1.00 0.00 N ATOM 1119 CA GLY A 66 9.690 1.413 13.707 1.00 0.00 C ATOM 1120 C GLY A 66 9.645 2.755 12.961 1.00 0.00 C ATOM 1121 O GLY A 66 8.619 3.434 12.981 1.00 0.00 O ATOM 0 H GLY A 66 11.167 -0.029 13.383 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.079 0.692 13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.231 1.545 14.687 1.00 0.00 H new ATOM 1125 N GLU A 67 10.745 3.164 12.321 1.00 0.00 N ATOM 1126 CA GLU A 67 10.869 4.486 11.681 1.00 0.00 C ATOM 1127 C GLU A 67 10.056 4.562 10.379 1.00 0.00 C ATOM 1128 O GLU A 67 10.064 3.615 9.591 1.00 0.00 O ATOM 1129 CB GLU A 67 12.344 4.827 11.414 1.00 0.00 C ATOM 1130 CG GLU A 67 13.146 5.004 12.710 1.00 0.00 C ATOM 1131 CD GLU A 67 14.593 5.435 12.409 1.00 0.00 C ATOM 1132 OE1 GLU A 67 14.868 6.660 12.355 1.00 0.00 O ATOM 1133 OE2 GLU A 67 15.470 4.555 12.232 1.00 0.00 O ATOM 0 H GLU A 67 11.581 2.587 12.230 1.00 0.00 H new ATOM 0 HA GLU A 67 10.461 5.223 12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.795 4.035 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.402 5.743 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.664 5.751 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.150 4.069 13.270 1.00 0.00 H new ATOM 1140 N LEU A 68 9.361 5.679 10.134 1.00 0.00 N ATOM 1141 CA LEU A 68 8.481 5.831 8.969 1.00 0.00 C ATOM 1142 C LEU A 68 9.290 5.941 7.662 1.00 0.00 C ATOM 1143 O LEU A 68 10.066 6.880 7.472 1.00 0.00 O ATOM 1144 CB LEU A 68 7.548 7.044 9.173 1.00 0.00 C ATOM 1145 CG LEU A 68 6.417 7.140 8.128 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.300 6.128 8.391 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.787 8.531 8.152 1.00 0.00 C ATOM 0 H LEU A 68 9.392 6.502 10.736 1.00 0.00 H new ATOM 0 HA LEU A 68 7.864 4.937 8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.107 6.989 10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.142 7.958 9.138 1.00 0.00 H new ATOM 0 HG LEU A 68 6.875 6.931 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.527 6.234 7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.708 5.118 8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.868 6.311 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.991 8.583 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.373 8.726 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.546 9.278 7.922 1.00 0.00 H new ATOM 1159 N PHE A 69 9.064 5.003 6.743 1.00 0.00 N ATOM 1160 CA PHE A 69 9.575 5.027 5.369 1.00 0.00 C ATOM 1161 C PHE A 69 8.693 5.899 4.463 1.00 0.00 C ATOM 1162 O PHE A 69 9.192 6.819 3.808 1.00 0.00 O ATOM 1163 CB PHE A 69 9.672 3.581 4.861 1.00 0.00 C ATOM 1164 CG PHE A 69 9.840 3.449 3.358 1.00 0.00 C ATOM 1165 CD1 PHE A 69 10.916 4.071 2.700 1.00 0.00 C ATOM 1166 CD2 PHE A 69 8.899 2.720 2.610 1.00 0.00 C ATOM 1167 CE1 PHE A 69 11.038 3.978 1.303 1.00 0.00 C ATOM 1168 CE2 PHE A 69 9.024 2.619 1.217 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.090 3.253 0.555 1.00 0.00 C ATOM 0 H PHE A 69 8.501 4.176 6.940 1.00 0.00 H new ATOM 0 HA PHE A 69 10.567 5.477 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.514 3.093 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.773 3.043 5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.650 4.621 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.075 2.235 3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.862 4.464 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.299 2.053 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.181 3.185 -0.519 1.00 0.00 H new ATOM 1179 N ALA A 70 7.383 5.636 4.453 1.00 0.00 N ATOM 1180 CA ALA A 70 6.392 6.359 3.658 1.00 0.00 C ATOM 1181 C ALA A 70 4.979 6.218 4.250 1.00 0.00 C ATOM 1182 O ALA A 70 4.708 5.297 5.026 1.00 0.00 O ATOM 1183 CB ALA A 70 6.424 5.822 2.221 1.00 0.00 C ATOM 0 H ALA A 70 6.973 4.891 5.016 1.00 0.00 H new ATOM 0 HA ALA A 70 6.641 7.420 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.689 6.354 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.417 5.972 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.189 4.758 2.225 1.00 0.00 H new ATOM 1189 N GLN A 71 4.067 7.109 3.847 1.00 0.00 N ATOM 1190 CA GLN A 71 2.643 7.038 4.186 1.00 0.00 C ATOM 1191 C GLN A 71 1.751 7.428 2.996 1.00 0.00 C ATOM 1192 O GLN A 71 1.981 8.463 2.372 1.00 0.00 O ATOM 1193 CB GLN A 71 2.338 7.854 5.459 1.00 0.00 C ATOM 1194 CG GLN A 71 2.769 9.334 5.421 1.00 0.00 C ATOM 1195 CD GLN A 71 2.579 10.052 6.761 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.889 9.607 7.669 1.00 0.00 O ATOM 1197 NE2 GLN A 71 3.194 11.200 6.945 1.00 0.00 N ATOM 0 H GLN A 71 4.303 7.914 3.266 1.00 0.00 H new ATOM 0 HA GLN A 71 2.401 5.999 4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.265 7.811 5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.830 7.373 6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.818 9.393 5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.195 9.853 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.775 11.592 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.090 11.698 7.829 1.00 0.00 H new ATOM 1206 N ALA A 72 0.733 6.618 2.684 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.269 6.896 1.646 1.00 0.00 C ATOM 1208 C ALA A 72 -1.669 7.111 2.266 1.00 0.00 C ATOM 1209 O ALA A 72 -2.194 6.172 2.875 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.305 5.751 0.625 1.00 0.00 C ATOM 0 H ALA A 72 0.578 5.728 3.158 1.00 0.00 H new ATOM 0 HA ALA A 72 0.016 7.816 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.051 5.968 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.674 5.650 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.564 4.821 1.131 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.298 8.294 2.119 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.657 8.547 2.600 1.00 0.00 C ATOM 1218 C PRO A 73 -4.711 7.974 1.634 1.00 0.00 C ATOM 1219 O PRO A 73 -4.734 8.317 0.452 1.00 0.00 O ATOM 1220 CB PRO A 73 -3.749 10.071 2.725 1.00 0.00 C ATOM 1221 CG PRO A 73 -2.813 10.581 1.628 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.721 9.512 1.560 1.00 0.00 C ATOM 0 HA PRO A 73 -3.858 8.057 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.770 10.424 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.434 10.412 3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.332 10.685 0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.401 11.559 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.399 9.352 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.841 9.820 2.125 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.608 7.125 2.141 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.667 6.428 1.391 1.00 0.00 C ATOM 1232 C VAL A 74 -8.048 6.894 1.872 1.00 0.00 C ATOM 1233 O VAL A 74 -8.391 6.759 3.043 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.528 4.891 1.522 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.609 4.157 0.723 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.165 4.327 1.098 1.00 0.00 C ATOM 0 H VAL A 74 -5.620 6.890 3.134 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.561 6.679 0.336 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.640 4.714 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.479 3.081 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.593 4.446 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.525 4.421 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.164 3.244 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.980 4.570 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.382 4.766 1.716 1.00 0.00 H new ATOM 1246 N GLU A 75 -8.871 7.403 0.953 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.226 7.921 1.226 1.00 0.00 C ATOM 1248 C GLU A 75 -11.302 7.205 0.380 1.00 0.00 C ATOM 1249 O GLU A 75 -12.478 7.564 0.415 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.186 9.454 1.050 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.349 10.239 1.690 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.534 10.525 0.746 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -12.322 10.916 -0.427 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -13.708 10.384 1.169 1.00 0.00 O ATOM 0 H GLU A 75 -8.612 7.471 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.526 7.705 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.250 9.824 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.167 9.677 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.716 9.680 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.965 11.187 2.066 1.00 0.00 H new ATOM 1261 N GLN A 76 -10.917 6.171 -0.375 1.00 0.00 N ATOM 1262 CA GLN A 76 -11.791 5.253 -1.102 1.00 0.00 C ATOM 1263 C GLN A 76 -11.052 3.934 -1.383 1.00 0.00 C ATOM 1264 O GLN A 76 -9.846 3.954 -1.649 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.311 5.899 -2.407 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.321 6.038 -3.582 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.124 6.952 -3.313 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.156 8.150 -3.554 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.017 6.428 -2.825 1.00 0.00 N ATOM 0 H GLN A 76 -9.931 5.942 -0.500 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.660 5.032 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.163 5.315 -2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.684 6.894 -2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.951 5.047 -3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.861 6.417 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.973 5.430 -2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.204 7.020 -2.654 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.768 2.809 -1.387 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.225 1.497 -1.759 1.00 0.00 C ATOM 1280 C TYR A 77 -12.118 0.732 -2.764 1.00 0.00 C ATOM 1281 O TYR A 77 -13.322 0.601 -2.512 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.970 0.641 -0.512 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.183 -0.601 -0.859 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -10.802 -1.789 -1.290 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -8.792 -0.485 -0.900 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -10.017 -2.828 -1.827 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -7.998 -1.520 -1.413 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.612 -2.688 -1.909 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.849 -3.649 -2.498 1.00 0.00 O ATOM 0 H TYR A 77 -12.754 2.780 -1.129 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.278 1.689 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.425 1.226 0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.921 0.359 -0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.873 -1.903 -1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.321 0.415 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.489 -3.734 -2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.922 -1.423 -1.428 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.906 -3.384 -2.464 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.551 0.172 -3.856 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.219 0.471 -4.396 1.00 0.00 C ATOM 1301 C PRO A 78 -10.145 1.922 -4.917 1.00 0.00 C ATOM 1302 O PRO A 78 -11.174 2.570 -5.131 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.001 -0.550 -5.517 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.417 -0.797 -6.035 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.263 -0.719 -4.763 1.00 0.00 C ATOM 0 HA PRO A 78 -9.442 0.395 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.348 -0.160 -6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.541 -1.466 -5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.717 -0.046 -6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.506 -1.769 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.260 -0.337 -4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.390 -1.706 -4.319 1.00 0.00 H new ATOM 1313 N GLY A 79 -8.938 2.450 -5.117 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.738 3.824 -5.593 1.00 0.00 C ATOM 1315 C GLY A 79 -7.332 4.115 -6.115 1.00 0.00 C ATOM 1316 O GLY A 79 -6.581 3.210 -6.475 1.00 0.00 O ATOM 0 H GLY A 79 -8.070 1.940 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.456 4.028 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.959 4.513 -4.778 1.00 0.00 H new ATOM 1320 N ILE A 80 -6.956 5.396 -6.136 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.619 5.834 -6.559 1.00 0.00 C ATOM 1322 C ILE A 80 -4.585 5.598 -5.457 1.00 0.00 C ATOM 1323 O ILE A 80 -3.417 5.338 -5.741 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.671 7.308 -7.023 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.372 7.811 -7.689 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.025 8.288 -5.888 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.907 6.965 -8.881 1.00 0.00 C ATOM 0 H ILE A 80 -7.570 6.162 -5.860 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.298 5.233 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.466 7.298 -7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.523 8.837 -8.023 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.579 7.832 -6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.045 9.305 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.005 8.036 -5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.276 8.217 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.989 7.387 -9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.721 5.943 -8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.680 6.964 -9.650 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.019 5.651 -4.191 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.126 5.496 -3.058 1.00 0.00 C ATOM 1341 C ALA A 81 -3.839 4.042 -2.687 1.00 0.00 C ATOM 1342 O ALA A 81 -2.801 3.796 -2.084 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.627 6.305 -1.871 1.00 0.00 C ATOM 0 H ALA A 81 -5.995 5.802 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.160 5.896 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.945 6.177 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.674 7.359 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.621 5.959 -1.588 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.700 3.087 -3.055 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.410 1.655 -2.994 1.00 0.00 C ATOM 1351 C VAL A 82 -5.157 0.917 -4.125 1.00 0.00 C ATOM 1352 O VAL A 82 -6.370 1.067 -4.295 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.747 1.135 -1.593 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.175 1.461 -1.198 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.394 -0.348 -1.493 1.00 0.00 C ATOM 0 H VAL A 82 -5.634 3.294 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.349 1.465 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.134 1.656 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.373 1.075 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.317 2.542 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.863 1.001 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.636 -0.713 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.966 -0.909 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.329 -0.482 -1.680 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.431 0.128 -4.913 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.936 -0.592 -6.097 1.00 0.00 C ATOM 1367 C GLU A 83 -4.277 -1.970 -6.265 1.00 0.00 C ATOM 1368 O GLU A 83 -3.117 -2.152 -5.899 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.682 0.264 -7.359 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.930 0.493 -8.218 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.401 -0.777 -8.945 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -7.047 -1.634 -8.297 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -6.130 -0.913 -10.162 1.00 0.00 O ATOM 0 H GLU A 83 -3.439 -0.039 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.004 -0.758 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.280 1.231 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.919 -0.221 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.737 0.863 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.720 1.269 -8.954 1.00 0.00 H new ATOM 1380 N THR A 84 -4.970 -2.931 -6.881 1.00 0.00 N ATOM 1381 CA THR A 84 -4.386 -4.214 -7.293 1.00 0.00 C ATOM 1382 C THR A 84 -3.970 -4.130 -8.759 1.00 0.00 C ATOM 1383 O THR A 84 -4.774 -4.312 -9.668 1.00 0.00 O ATOM 1384 CB THR A 84 -5.339 -5.394 -7.089 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.209 -5.266 -5.977 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.563 -6.686 -6.874 1.00 0.00 C ATOM 0 H THR A 84 -5.960 -2.842 -7.110 1.00 0.00 H new ATOM 0 HA THR A 84 -3.519 -4.397 -6.659 1.00 0.00 H new ATOM 0 HB THR A 84 -5.936 -5.409 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.784 -6.058 -5.918 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.262 -7.511 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.940 -6.885 -7.746 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.932 -6.588 -5.991 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.682 -3.850 -8.950 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.843 -4.027 -10.157 1.00 0.00 C ATOM 1396 C VAL A 85 -2.566 -4.308 -11.485 1.00 0.00 C ATOM 1397 O VAL A 85 -2.604 -3.442 -12.359 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.758 -5.088 -9.891 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.365 -4.452 -9.074 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.239 -6.331 -9.128 1.00 0.00 C ATOM 0 H VAL A 85 -2.133 -3.451 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.407 -3.041 -10.320 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.435 -5.427 -10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.139 -5.194 -8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.793 -3.619 -9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.035 -4.088 -8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.405 -7.018 -8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.628 -6.032 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.026 -6.826 -9.697 1.00 0.00 H new ATOM 1410 N THR A 86 -3.118 -5.514 -11.631 1.00 0.00 N ATOM 1411 CA THR A 86 -4.259 -5.829 -12.506 1.00 0.00 C ATOM 1412 C THR A 86 -5.244 -6.740 -11.780 1.00 0.00 C ATOM 1413 O THR A 86 -6.446 -6.471 -11.776 1.00 0.00 O ATOM 1414 CB THR A 86 -3.872 -6.515 -13.821 1.00 0.00 C ATOM 1415 OG1 THR A 86 -3.103 -7.668 -13.613 1.00 0.00 O ATOM 1416 CG2 THR A 86 -3.027 -5.603 -14.688 1.00 0.00 C ATOM 0 H THR A 86 -2.773 -6.331 -11.127 1.00 0.00 H new ATOM 0 HA THR A 86 -4.703 -4.864 -12.753 1.00 0.00 H new ATOM 0 HB THR A 86 -4.817 -6.766 -14.302 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.881 -8.073 -14.477 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.768 -6.118 -15.613 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.589 -4.699 -14.921 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.115 -5.336 -14.154 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.737 -7.808 -11.144 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.583 -8.765 -10.406 1.00 0.00 C ATOM 1426 C ASP A 87 -4.861 -9.612 -9.346 1.00 0.00 C ATOM 1427 O ASP A 87 -5.318 -9.650 -8.204 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.274 -9.715 -11.391 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.488 -10.396 -10.735 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.329 -9.674 -10.143 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.612 -11.638 -10.838 1.00 0.00 O ATOM 0 H ASP A 87 -3.742 -8.033 -11.125 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.292 -8.140 -9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.595 -9.161 -12.273 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.567 -10.472 -11.730 1.00 0.00 H new ATOM 1436 N SER A 88 -3.750 -10.282 -9.694 1.00 0.00 N ATOM 1437 CA SER A 88 -2.954 -11.032 -8.698 1.00 0.00 C ATOM 1438 C SER A 88 -2.534 -10.152 -7.535 1.00 0.00 C ATOM 1439 O SER A 88 -1.849 -9.138 -7.690 1.00 0.00 O ATOM 1440 CB SER A 88 -1.694 -11.723 -9.210 1.00 0.00 C ATOM 1441 OG SER A 88 -1.124 -12.533 -8.209 1.00 0.00 O ATOM 0 H SER A 88 -3.383 -10.322 -10.645 1.00 0.00 H new ATOM 0 HA SER A 88 -3.651 -11.815 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.936 -12.331 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.970 -10.975 -9.534 1.00 0.00 H new ATOM 0 HG SER A 88 -0.319 -12.968 -8.559 1.00 0.00 H new ATOM 1447 N SER A 89 -2.951 -10.577 -6.354 1.00 0.00 N ATOM 1448 CA SER A 89 -3.008 -9.746 -5.168 1.00 0.00 C ATOM 1449 C SER A 89 -1.878 -10.008 -4.176 1.00 0.00 C ATOM 1450 O SER A 89 -1.904 -9.461 -3.080 1.00 0.00 O ATOM 1451 CB SER A 89 -4.414 -9.854 -4.598 1.00 0.00 C ATOM 1452 OG SER A 89 -4.731 -11.205 -4.279 1.00 0.00 O ATOM 0 H SER A 89 -3.267 -11.533 -6.192 1.00 0.00 H new ATOM 0 HA SER A 89 -2.823 -8.705 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.497 -9.236 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.134 -9.468 -5.320 1.00 0.00 H new ATOM 0 HG SER A 89 -5.639 -11.250 -3.913 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.835 -10.755 -4.586 1.00 0.00 N ATOM 1459 CA ARG A 90 0.511 -10.704 -3.968 1.00 0.00 C ATOM 1460 C ARG A 90 1.118 -9.299 -4.077 1.00 0.00 C ATOM 1461 O ARG A 90 1.960 -8.927 -3.256 1.00 0.00 O ATOM 1462 CB ARG A 90 1.420 -11.765 -4.630 1.00 0.00 C ATOM 1463 CG ARG A 90 2.826 -11.891 -4.006 1.00 0.00 C ATOM 1464 CD ARG A 90 3.916 -11.117 -4.769 1.00 0.00 C ATOM 1465 NE ARG A 90 5.203 -11.159 -4.044 1.00 0.00 N ATOM 1466 CZ ARG A 90 6.423 -11.123 -4.549 1.00 0.00 C ATOM 1467 NH1 ARG A 90 7.466 -11.128 -3.778 1.00 0.00 N ATOM 1468 NH2 ARG A 90 6.687 -11.078 -5.818 1.00 0.00 N ATOM 0 H ARG A 90 -0.899 -11.416 -5.360 1.00 0.00 H new ATOM 0 HA ARG A 90 0.424 -10.930 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.924 -12.734 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.527 -11.523 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.790 -11.531 -2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.102 -12.945 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.041 -11.544 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.604 -10.081 -4.904 1.00 0.00 H new ATOM 0 HE ARG A 90 5.142 -11.224 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.351 -11.160 -2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.401 -11.100 -4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.926 -11.069 -6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.656 -11.052 -6.137 1.00 0.00 H new ATOM 1482 N TYR A 91 0.681 -8.532 -5.077 1.00 0.00 N ATOM 1483 CA TYR A 91 1.086 -7.153 -5.321 1.00 0.00 C ATOM 1484 C TYR A 91 -0.052 -6.149 -5.145 1.00 0.00 C ATOM 1485 O TYR A 91 -1.224 -6.464 -5.362 1.00 0.00 O ATOM 1486 CB TYR A 91 1.608 -6.999 -6.749 1.00 0.00 C ATOM 1487 CG TYR A 91 2.643 -7.995 -7.199 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.990 -7.767 -6.884 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.263 -9.102 -7.980 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.969 -8.652 -7.357 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.242 -9.991 -8.459 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.602 -9.767 -8.143 1.00 0.00 C ATOM 1493 OH TYR A 91 5.566 -10.620 -8.575 1.00 0.00 O ATOM 0 H TYR A 91 0.008 -8.871 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 91 1.858 -6.940 -4.582 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.759 -7.058 -7.430 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.030 -5.999 -6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.271 -6.916 -6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.221 -9.269 -8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.009 -8.481 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.957 -10.839 -9.064 1.00 0.00 H new ATOM 0 HH TYR A 91 6.421 -10.145 -8.632 1.00 0.00 H new ATOM 1503 N PHE A 92 0.338 -4.904 -4.877 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.517 -3.716 -4.928 1.00 0.00 C ATOM 1505 C PHE A 92 0.259 -2.526 -5.499 1.00 0.00 C ATOM 1506 O PHE A 92 1.459 -2.621 -5.747 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.059 -3.405 -3.524 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.900 -4.530 -2.965 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.205 -4.741 -3.450 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.350 -5.407 -2.014 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -3.951 -5.844 -3.006 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.112 -6.487 -1.543 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.401 -6.720 -2.055 1.00 0.00 C ATOM 0 H PHE A 92 1.297 -4.685 -4.607 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.363 -3.909 -5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.224 -3.211 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.656 -2.494 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.633 -4.053 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.346 -5.250 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.944 -6.019 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.707 -7.141 -0.785 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.969 -7.574 -1.717 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.419 -1.398 -5.679 1.00 0.00 N ATOM 1524 CA VAL A 93 0.174 -0.073 -5.890 1.00 0.00 C ATOM 1525 C VAL A 93 -0.475 0.907 -4.923 1.00 0.00 C ATOM 1526 O VAL A 93 -1.696 0.889 -4.771 1.00 0.00 O ATOM 1527 CB VAL A 93 0.007 0.401 -7.345 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.560 1.815 -7.545 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.741 -0.538 -8.309 1.00 0.00 C ATOM 0 H VAL A 93 -1.439 -1.376 -5.683 1.00 0.00 H new ATOM 0 HA VAL A 93 1.246 -0.128 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.063 0.398 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.424 2.115 -8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.028 2.509 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.622 1.829 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.610 -0.185 -9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.803 -0.554 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.333 -1.545 -8.218 1.00 0.00 H new ATOM 1539 N ILE A 94 0.323 1.760 -4.277 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.155 2.828 -3.399 1.00 0.00 C ATOM 1541 C ILE A 94 0.464 4.187 -3.767 1.00 0.00 C ATOM 1542 O ILE A 94 1.593 4.272 -4.261 1.00 0.00 O ATOM 1543 CB ILE A 94 0.011 2.482 -1.895 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.490 2.435 -1.461 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.669 1.144 -1.537 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.644 2.420 0.060 1.00 0.00 C ATOM 0 H ILE A 94 1.340 1.726 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.229 2.917 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.481 3.288 -1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.962 1.547 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.015 3.299 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.530 0.938 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.735 1.207 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.223 0.341 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.702 2.387 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.196 3.321 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.143 1.542 0.468 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.286 5.262 -3.503 1.00 0.00 N ATOM 1559 CA ARG A 95 0.127 6.661 -3.731 1.00 0.00 C ATOM 1560 C ARG A 95 0.557 7.302 -2.409 1.00 0.00 C ATOM 1561 O ARG A 95 -0.273 7.811 -1.658 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.007 7.396 -4.470 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.677 8.808 -4.974 1.00 0.00 C ATOM 1564 CD ARG A 95 -0.689 9.852 -3.856 1.00 0.00 C ATOM 1565 NE ARG A 95 -0.715 11.220 -4.409 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.749 12.018 -4.581 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.546 13.209 -5.062 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -2.968 11.666 -4.285 1.00 0.00 N ATOM 0 H ARG A 95 -1.226 5.186 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 95 1.005 6.723 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.311 6.789 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.866 7.461 -3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.305 8.800 -5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.398 9.094 -5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.560 9.697 -3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.193 9.727 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 95 0.188 11.598 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.600 13.509 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.333 13.843 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.152 10.738 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.738 12.318 -4.435 1.00 0.00 H new ATOM 1582 N ILE A 96 1.855 7.266 -2.120 1.00 0.00 N ATOM 1583 CA ILE A 96 2.464 7.825 -0.902 1.00 0.00 C ATOM 1584 C ILE A 96 2.701 9.337 -1.011 1.00 0.00 C ATOM 1585 O ILE A 96 2.907 9.859 -2.104 1.00 0.00 O ATOM 1586 CB ILE A 96 3.776 7.092 -0.540 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.791 7.107 -1.702 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.480 5.652 -0.089 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.225 6.850 -1.250 1.00 0.00 C ATOM 0 H ILE A 96 2.539 6.835 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 96 1.748 7.665 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 96 4.234 7.632 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.507 6.351 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.743 8.073 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.414 5.150 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.832 5.671 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.984 5.113 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.889 6.874 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.526 7.620 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.286 5.872 -0.772 1.00 0.00 H new ATOM 1601 N GLN A 97 2.746 10.039 0.122 1.00 0.00 N ATOM 1602 CA GLN A 97 3.331 11.380 0.217 1.00 0.00 C ATOM 1603 C GLN A 97 4.805 11.328 0.638 1.00 0.00 C ATOM 1604 O GLN A 97 5.205 10.470 1.428 1.00 0.00 O ATOM 1605 CB GLN A 97 2.514 12.278 1.156 1.00 0.00 C ATOM 1606 CG GLN A 97 1.186 12.713 0.511 1.00 0.00 C ATOM 1607 CD GLN A 97 0.825 14.153 0.864 1.00 0.00 C ATOM 1608 OE1 GLN A 97 -0.088 14.433 1.629 1.00 0.00 O ATOM 1609 NE2 GLN A 97 1.536 15.120 0.318 1.00 0.00 N ATOM 0 H GLN A 97 2.375 9.692 1.007 1.00 0.00 H new ATOM 0 HA GLN A 97 3.295 11.821 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.311 11.745 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.099 13.160 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.259 12.612 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.388 12.048 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.299 14.894 -0.321 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.323 16.094 0.534 1.00 0.00 H new ATOM 1682 N SER A 103 4.032 13.987 -3.627 1.00 0.00 N ATOM 1683 CA SER A 103 3.661 12.564 -3.628 1.00 0.00 C ATOM 1684 C SER A 103 4.318 11.727 -4.736 1.00 0.00 C ATOM 1685 O SER A 103 4.826 12.262 -5.726 1.00 0.00 O ATOM 1686 CB SER A 103 2.134 12.435 -3.682 1.00 0.00 C ATOM 1687 OG SER A 103 1.566 13.014 -4.848 1.00 0.00 O ATOM 0 HA SER A 103 4.049 12.148 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.863 11.380 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.704 12.911 -2.801 1.00 0.00 H new ATOM 0 HG SER A 103 2.117 13.771 -5.139 1.00 0.00 H new ATOM 1693 N ALA A 104 4.314 10.403 -4.549 1.00 0.00 N ATOM 1694 CA ALA A 104 4.879 9.396 -5.452 1.00 0.00 C ATOM 1695 C ALA A 104 4.048 8.102 -5.478 1.00 0.00 C ATOM 1696 O ALA A 104 3.388 7.745 -4.501 1.00 0.00 O ATOM 1697 CB ALA A 104 6.328 9.110 -5.030 1.00 0.00 C ATOM 0 H ALA A 104 3.894 9.983 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 104 4.859 9.792 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.760 8.362 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.912 10.028 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.342 8.737 -4.006 1.00 0.00 H new ATOM 1703 N PHE A 105 4.116 7.366 -6.589 1.00 0.00 N ATOM 1704 CA PHE A 105 3.571 6.010 -6.695 1.00 0.00 C ATOM 1705 C PHE A 105 4.649 4.957 -6.415 1.00 0.00 C ATOM 1706 O PHE A 105 5.744 5.002 -6.983 1.00 0.00 O ATOM 1707 CB PHE A 105 2.928 5.799 -8.072 1.00 0.00 C ATOM 1708 CG PHE A 105 1.881 6.839 -8.409 1.00 0.00 C ATOM 1709 CD1 PHE A 105 0.590 6.743 -7.858 1.00 0.00 C ATOM 1710 CD2 PHE A 105 2.215 7.939 -9.221 1.00 0.00 C ATOM 1711 CE1 PHE A 105 -0.363 7.739 -8.129 1.00 0.00 C ATOM 1712 CE2 PHE A 105 1.268 8.946 -9.470 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.027 8.844 -8.929 1.00 0.00 C ATOM 0 H PHE A 105 4.555 7.697 -7.448 1.00 0.00 H new ATOM 0 HA PHE A 105 2.797 5.891 -5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.706 5.816 -8.835 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.471 4.810 -8.104 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.332 5.905 -7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.202 8.009 -9.654 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.359 7.655 -7.720 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.534 9.799 -10.077 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.760 9.612 -9.128 1.00 0.00 H new ATOM 1723 N ILE A 106 4.312 3.974 -5.579 1.00 0.00 N ATOM 1724 CA ILE A 106 5.071 2.725 -5.424 1.00 0.00 C ATOM 1725 C ILE A 106 4.141 1.519 -5.574 1.00 0.00 C ATOM 1726 O ILE A 106 3.027 1.493 -5.053 1.00 0.00 O ATOM 1727 CB ILE A 106 5.886 2.648 -4.105 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.944 2.627 -2.870 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.870 3.831 -4.012 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.614 2.620 -1.493 1.00 0.00 C ATOM 0 H ILE A 106 3.489 4.021 -4.978 1.00 0.00 H new ATOM 0 HA ILE A 106 5.812 2.710 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 106 6.456 1.719 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.291 3.498 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.307 1.745 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.434 3.763 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.558 3.799 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.315 4.769 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.849 2.605 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.244 1.735 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.227 3.515 -1.382 1.00 0.00 H new ATOM 1742 N GLY A 107 4.627 0.497 -6.258 1.00 0.00 N ATOM 1743 CA GLY A 107 4.157 -0.869 -6.126 1.00 0.00 C ATOM 1744 C GLY A 107 4.597 -1.472 -4.791 1.00 0.00 C ATOM 1745 O GLY A 107 5.570 -1.037 -4.170 1.00 0.00 O ATOM 0 H GLY A 107 5.380 0.599 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.070 -0.892 -6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.545 -1.472 -6.947 1.00 0.00 H new ATOM 1749 N ILE A 108 3.885 -2.506 -4.360 1.00 0.00 N ATOM 1750 CA ILE A 108 4.234 -3.348 -3.215 1.00 0.00 C ATOM 1751 C ILE A 108 4.250 -4.808 -3.680 1.00 0.00 C ATOM 1752 O ILE A 108 3.413 -5.191 -4.496 1.00 0.00 O ATOM 1753 CB ILE A 108 3.257 -3.131 -2.029 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.289 -1.641 -1.612 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.640 -4.052 -0.860 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.589 -1.318 -0.291 1.00 0.00 C ATOM 0 H ILE A 108 3.017 -2.794 -4.812 1.00 0.00 H new ATOM 0 HA ILE A 108 5.222 -3.074 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 108 2.240 -3.384 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.329 -1.323 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.828 -1.049 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.950 -3.894 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.587 -5.092 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.655 -3.824 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.668 -0.250 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.538 -1.598 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.062 -1.876 0.517 1.00 0.00 H new ATOM 1768 N GLY A 109 5.153 -5.626 -3.138 1.00 0.00 N ATOM 1769 CA GLY A 109 5.102 -7.088 -3.180 1.00 0.00 C ATOM 1770 C GLY A 109 5.234 -7.691 -1.782 1.00 0.00 C ATOM 1771 O GLY A 109 6.111 -7.317 -1.002 1.00 0.00 O ATOM 0 H GLY A 109 5.971 -5.275 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.162 -7.408 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.903 -7.463 -3.817 1.00 0.00 H new ATOM 1775 N PHE A 110 4.357 -8.636 -1.460 1.00 0.00 N ATOM 1776 CA PHE A 110 4.338 -9.327 -0.168 1.00 0.00 C ATOM 1777 C PHE A 110 5.146 -10.627 -0.148 1.00 0.00 C ATOM 1778 O PHE A 110 5.479 -11.204 -1.188 1.00 0.00 O ATOM 1779 CB PHE A 110 2.883 -9.571 0.229 1.00 0.00 C ATOM 1780 CG PHE A 110 2.253 -8.408 0.965 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.727 -7.310 0.256 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.206 -8.423 2.371 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.159 -6.232 0.957 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.609 -7.361 3.069 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.105 -6.257 2.361 1.00 0.00 C ATOM 0 H PHE A 110 3.626 -8.951 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 110 4.831 -8.684 0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.301 -9.781 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.831 -10.460 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.760 -7.297 -0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.630 -9.254 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.764 -5.384 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.537 -7.393 4.146 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.675 -5.425 2.898 1.00 0.00 H new ATOM 1795 N THR A 111 5.421 -11.102 1.070 1.00 0.00 N ATOM 1796 CA THR A 111 6.090 -12.386 1.330 1.00 0.00 C ATOM 1797 C THR A 111 5.138 -13.591 1.241 1.00 0.00 C ATOM 1798 O THR A 111 5.560 -14.707 0.934 1.00 0.00 O ATOM 1799 CB THR A 111 6.808 -12.306 2.686 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.873 -13.229 2.745 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.902 -12.535 3.897 1.00 0.00 C ATOM 0 H THR A 111 5.181 -10.596 1.923 1.00 0.00 H new ATOM 0 HA THR A 111 6.825 -12.558 0.544 1.00 0.00 H new ATOM 0 HB THR A 111 7.173 -11.281 2.745 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.317 -13.160 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.491 -12.461 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.115 -11.781 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.454 -13.527 3.834 1.00 0.00 H new ATOM 1809 N ASP A 112 3.837 -13.361 1.464 1.00 0.00 N ATOM 1810 CA ASP A 112 2.766 -14.366 1.401 1.00 0.00 C ATOM 1811 C ASP A 112 1.509 -13.806 0.712 1.00 0.00 C ATOM 1812 O ASP A 112 1.094 -12.676 0.990 1.00 0.00 O ATOM 1813 CB ASP A 112 2.420 -14.850 2.820 1.00 0.00 C ATOM 1814 CG ASP A 112 1.700 -16.206 2.786 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.343 -17.247 3.055 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.490 -16.228 2.465 1.00 0.00 O ATOM 0 H ASP A 112 3.487 -12.433 1.703 1.00 0.00 H new ATOM 0 HA ASP A 112 3.125 -15.207 0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.332 -14.935 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.788 -14.112 3.314 1.00 0.00 H new ATOM 1821 N ARG A 113 0.864 -14.606 -0.147 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.392 -14.233 -0.826 1.00 0.00 C ATOM 1823 C ARG A 113 -1.536 -13.982 0.162 1.00 0.00 C ATOM 1824 O ARG A 113 -2.338 -13.081 -0.065 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.753 -15.331 -1.848 1.00 0.00 C ATOM 1826 CG ARG A 113 -2.011 -15.049 -2.691 1.00 0.00 C ATOM 1827 CD ARG A 113 -1.892 -13.746 -3.492 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.029 -13.544 -4.407 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.129 -13.943 -5.663 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.148 -13.571 -6.375 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -2.228 -14.680 -6.238 1.00 0.00 N ATOM 0 H ARG A 113 1.198 -15.537 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.239 -13.288 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.093 -15.472 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.895 -16.271 -1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.181 -15.880 -3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.880 -14.993 -2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.829 -12.904 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.965 -13.758 -4.066 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.830 -13.039 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.866 -12.974 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.231 -13.876 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.402 -14.974 -5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.347 -14.965 -7.210 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.592 -14.724 1.268 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.578 -14.535 2.335 1.00 0.00 C ATOM 1847 C GLY A 114 -2.343 -13.258 3.146 1.00 0.00 C ATOM 1848 O GLY A 114 -3.301 -12.564 3.480 1.00 0.00 O ATOM 0 H GLY A 114 -0.942 -15.488 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.576 -14.503 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.550 -15.395 3.005 1.00 0.00 H new ATOM 1852 N ASP A 115 -1.082 -12.882 3.397 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.756 -11.611 4.066 1.00 0.00 C ATOM 1854 C ASP A 115 -1.090 -10.396 3.186 1.00 0.00 C ATOM 1855 O ASP A 115 -1.565 -9.376 3.690 1.00 0.00 O ATOM 1856 CB ASP A 115 0.702 -11.594 4.549 1.00 0.00 C ATOM 1857 CG ASP A 115 0.933 -12.516 5.764 1.00 0.00 C ATOM 1858 OD1 ASP A 115 0.040 -12.597 6.644 1.00 0.00 O ATOM 1859 OD2 ASP A 115 2.025 -13.121 5.866 1.00 0.00 O ATOM 0 H ASP A 115 -0.266 -13.441 3.146 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.389 -11.535 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.355 -11.903 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 115 0.982 -10.574 4.813 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.939 -10.533 1.869 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.341 -9.525 0.894 1.00 0.00 C ATOM 1866 C ALA A 116 -2.870 -9.442 0.712 1.00 0.00 C ATOM 1867 O ALA A 116 -3.452 -8.356 0.686 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.650 -9.875 -0.418 1.00 0.00 C ATOM 0 H ALA A 116 -0.526 -11.363 1.444 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.042 -8.538 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.923 -9.144 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.430 -9.863 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.962 -10.868 -0.740 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.564 -10.580 0.667 1.00 0.00 N ATOM 1875 CA PHE A 117 -5.026 -10.610 0.647 1.00 0.00 C ATOM 1876 C PHE A 117 -5.626 -9.967 1.917 1.00 0.00 C ATOM 1877 O PHE A 117 -6.670 -9.321 1.856 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.478 -12.062 0.445 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.970 -12.221 0.243 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.551 -11.944 -1.012 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.781 -12.644 1.313 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.939 -12.064 -1.187 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.166 -12.796 1.128 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.741 -12.503 -0.119 1.00 0.00 C ATOM 0 H PHE A 117 -3.130 -11.503 0.643 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.399 -10.009 -0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.959 -12.476 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.174 -12.650 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.927 -11.639 -1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.339 -12.852 2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.389 -11.820 -2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.787 -13.137 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.806 -12.616 -0.259 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.925 -10.039 3.054 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.318 -9.401 4.312 1.00 0.00 C ATOM 1896 C ASP A 118 -5.012 -7.886 4.309 1.00 0.00 C ATOM 1897 O ASP A 118 -5.785 -7.110 4.873 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.624 -10.161 5.453 1.00 0.00 C ATOM 1899 CG ASP A 118 -5.202 -9.931 6.859 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -6.371 -9.507 7.005 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -4.479 -10.264 7.829 1.00 0.00 O ATOM 0 H ASP A 118 -4.048 -10.555 3.125 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.397 -9.460 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.667 -11.228 5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.571 -9.880 5.463 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.970 -7.435 3.586 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.759 -6.013 3.273 1.00 0.00 C ATOM 1908 C PHE A 119 -4.979 -5.430 2.538 1.00 0.00 C ATOM 1909 O PHE A 119 -5.516 -4.398 2.944 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.432 -5.810 2.506 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.231 -4.456 1.835 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -2.828 -4.173 0.591 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.409 -3.481 2.423 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.666 -2.913 -0.018 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.262 -2.217 1.834 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.896 -1.926 0.617 1.00 0.00 C ATOM 0 H PHE A 119 -3.251 -8.049 3.203 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.664 -5.454 4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.608 -5.971 3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.359 -6.583 1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.417 -4.932 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.884 -3.707 3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.133 -2.707 -0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.658 -1.464 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.792 -0.948 0.171 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.479 -6.135 1.516 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.660 -5.733 0.748 1.00 0.00 C ATOM 1928 C ASN A 120 -7.959 -5.796 1.566 1.00 0.00 C ATOM 1929 O ASN A 120 -8.707 -4.819 1.592 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.699 -6.547 -0.562 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.053 -7.069 -1.005 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.281 -8.261 -1.113 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.984 -6.203 -1.316 1.00 0.00 N ATOM 0 H ASN A 120 -5.068 -7.012 1.196 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.579 -4.678 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.298 -5.924 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.026 -7.398 -0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.893 -6.528 -1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.801 -5.203 -1.228 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.255 -6.914 2.234 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.563 -7.093 2.886 1.00 0.00 C ATOM 1942 C VAL A 121 -9.709 -6.241 4.152 1.00 0.00 C ATOM 1943 O VAL A 121 -10.818 -5.794 4.448 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.870 -8.586 3.125 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -11.139 -8.828 3.956 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -10.079 -9.314 1.792 1.00 0.00 C ATOM 0 H VAL A 121 -7.617 -7.703 2.339 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.323 -6.722 2.198 1.00 0.00 H new ATOM 0 HB VAL A 121 -9.007 -8.965 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -11.292 -9.900 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -11.029 -8.358 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.998 -8.398 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -10.294 -10.366 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.915 -8.863 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.176 -9.232 1.187 1.00 0.00 H new ATOM 1956 N SER A 122 -8.610 -5.898 4.839 1.00 0.00 N ATOM 1957 CA SER A 122 -8.626 -4.889 5.912 1.00 0.00 C ATOM 1958 C SER A 122 -9.152 -3.529 5.420 1.00 0.00 C ATOM 1959 O SER A 122 -9.877 -2.844 6.143 1.00 0.00 O ATOM 1960 CB SER A 122 -7.213 -4.731 6.488 1.00 0.00 C ATOM 1961 OG SER A 122 -7.208 -3.821 7.575 1.00 0.00 O ATOM 0 H SER A 122 -7.691 -6.307 4.670 1.00 0.00 H new ATOM 0 HA SER A 122 -9.307 -5.237 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.840 -5.701 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.536 -4.378 5.710 1.00 0.00 H new ATOM 0 HG SER A 122 -6.498 -3.158 7.443 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.863 -3.167 4.163 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.353 -1.943 3.523 1.00 0.00 C ATOM 1969 C LEU A 123 -10.771 -2.116 2.956 1.00 0.00 C ATOM 1970 O LEU A 123 -11.591 -1.213 3.120 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.354 -1.497 2.446 1.00 0.00 C ATOM 1972 CG LEU A 123 -6.979 -1.106 3.022 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.915 -1.226 1.938 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.985 0.325 3.567 1.00 0.00 C ATOM 0 H LEU A 123 -8.270 -3.729 3.552 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.427 -1.160 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.223 -2.303 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.769 -0.648 1.903 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.756 -1.785 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.944 -0.949 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.877 -2.254 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.162 -0.561 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.000 0.567 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.232 1.019 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.728 0.409 4.361 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.118 -3.278 2.383 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.508 -3.566 1.985 1.00 0.00 C ATOM 1988 C GLN A 124 -13.465 -3.400 3.178 1.00 0.00 C ATOM 1989 O GLN A 124 -14.449 -2.671 3.089 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.673 -4.984 1.413 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.969 -5.163 0.065 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.313 -6.477 -0.635 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.810 -7.431 -0.053 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -12.078 -6.582 -1.925 1.00 0.00 N ATOM 0 H GLN A 124 -10.460 -4.032 2.185 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.756 -2.848 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.275 -5.707 2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.734 -5.203 1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.236 -4.332 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.891 -5.114 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.664 -5.800 -2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.310 -7.445 -2.417 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.140 -4.007 4.322 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.932 -3.933 5.558 1.00 0.00 C ATOM 2005 C ASP A 125 -13.807 -2.583 6.289 1.00 0.00 C ATOM 2006 O ASP A 125 -14.564 -2.316 7.221 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.499 -5.085 6.474 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.459 -5.319 7.647 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -14.025 -5.259 8.822 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -15.648 -5.616 7.389 1.00 0.00 O ATOM 0 H ASP A 125 -12.300 -4.577 4.420 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.985 -4.021 5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.425 -6.000 5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.503 -4.875 6.864 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.894 -1.706 5.859 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.834 -0.315 6.326 1.00 0.00 C ATOM 2017 C HIS A 126 -13.804 0.579 5.547 1.00 0.00 C ATOM 2018 O HIS A 126 -14.486 1.407 6.146 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.403 0.234 6.273 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.328 1.668 6.738 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.102 2.771 5.912 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.548 2.110 8.011 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.181 3.849 6.706 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.455 3.483 7.967 1.00 0.00 N ATOM 0 H HIS A 126 -12.174 -1.940 5.176 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.148 -0.308 7.370 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.755 -0.383 6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.026 0.164 5.253 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.754 1.503 8.880 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.043 4.868 6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.574 4.115 8.759 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.935 0.373 4.233 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.861 1.145 3.398 1.00 0.00 C ATOM 2034 C PHE A 127 -16.274 0.543 3.299 1.00 0.00 C ATOM 2035 O PHE A 127 -17.198 1.266 2.925 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.210 1.458 2.044 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.117 2.504 2.180 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.452 3.872 2.230 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -11.777 2.115 2.360 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.457 4.834 2.479 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -10.776 3.074 2.586 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.119 4.435 2.656 1.00 0.00 C ATOM 0 H PHE A 127 -13.404 -0.331 3.720 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.044 2.095 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.791 0.545 1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.970 1.812 1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.475 4.182 2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.515 1.068 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -12.720 5.880 2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.747 2.767 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.356 5.175 2.846 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.496 -0.722 3.700 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.817 -1.388 3.618 1.00 0.00 C ATOM 2054 C LYS A 128 -18.930 -0.700 4.421 1.00 0.00 C ATOM 2055 O LYS A 128 -20.102 -0.841 4.074 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.707 -2.898 3.924 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.553 -3.302 5.402 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.896 -3.554 6.094 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.790 -3.753 7.610 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.270 -5.094 7.979 1.00 0.00 N ATOM 0 H LYS A 128 -15.765 -1.316 4.092 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.135 -1.281 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.596 -3.389 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.853 -3.294 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.943 -4.203 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.017 -2.516 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.559 -2.712 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.360 -4.437 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.136 -2.987 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.773 -3.613 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.283 -5.199 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.868 -5.828 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.295 -5.195 7.633 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.579 0.028 5.488 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.521 0.708 6.395 1.00 0.00 C ATOM 2076 C TRP A 129 -19.591 2.240 6.198 1.00 0.00 C ATOM 2077 O TRP A 129 -20.301 2.930 6.932 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.209 0.273 7.837 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.804 0.512 8.302 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.782 -0.372 8.244 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.234 1.733 8.866 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.630 0.219 8.715 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.839 1.530 9.088 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.754 3.005 9.173 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -14.998 2.549 9.563 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.922 4.038 9.653 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.545 3.817 9.834 1.00 0.00 C ATOM 0 H TRP A 129 -17.604 0.166 5.755 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.535 0.394 6.147 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.888 0.797 8.509 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.426 -0.791 7.930 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.857 -1.387 7.883 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.730 -0.256 8.780 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.809 3.193 9.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.946 2.362 9.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.345 5.005 9.883 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.909 4.618 10.180 1.00 0.00 H new ATOM 2098 N VAL A 130 -18.888 2.773 5.191 1.00 0.00 N ATOM 2099 CA VAL A 130 -18.812 4.204 4.818 1.00 0.00 C ATOM 2100 C VAL A 130 -18.950 4.373 3.289 1.00 0.00 C ATOM 2101 O VAL A 130 -19.378 3.447 2.598 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.547 4.889 5.416 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -17.947 5.711 6.646 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.406 3.957 5.810 1.00 0.00 C ATOM 0 H VAL A 130 -18.322 2.189 4.575 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.657 4.729 5.264 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.158 5.505 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.063 6.191 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.670 6.473 6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.393 5.054 7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.580 4.543 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.755 3.254 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.066 3.407 4.933 1.00 0.00 H new