USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 713 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 73 THR OG1 : rot -83:sc= 0.77 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.0175 USER MOD Set 1.3: A 76 HIS : no HD1:sc= -1.67! X(o=-0.88!,f=-1.3) USER MOD Set 2.1: A 57 THR OG1 : rot 89:sc= 1.01 USER MOD Set 2.2: A 128 HIS : no HD1:sc= -3.2 X(o=-2.2,f=-2.4) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -153:sc= -8.8! (180deg=-11.3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0188) USER MOD Single : A 52 THR OG1 : rot -39:sc= 0.105 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 149:sc= 0.284 (180deg=-1.84!) USER MOD Single : A 60 GLN : amide:sc= -5.58! C(o=-5.6!,f=-5.5!) USER MOD Single : A 61 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.37) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 0.999 (180deg=0.392) USER MOD Single : A 71 GLN :FLIP amide:sc= -10.1! C(o=-11!,f=-10!) USER MOD Single : A 82 MET CE :methyl -164:sc= -0.473 (180deg=-1.26) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.12 F(o=-1.6,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.496 F(o=-1.6,f=-0.5) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= -0.0295 (180deg=-0.207) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -112:sc= -1.16 (180deg=-2.54!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -17:sc= -0.253 USER MOD Single : A 110 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00712) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -2.04! C(o=-2!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.295 -2.083 2.033 1.00 0.41 N ATOM 224 CA MET A 44 -12.607 -1.914 3.302 1.00 0.41 C ATOM 225 C MET A 44 -11.416 -0.971 3.145 1.00 0.31 C ATOM 226 O MET A 44 -11.327 0.035 3.839 1.00 0.28 O ATOM 227 CB MET A 44 -12.157 -3.273 3.855 1.00 0.50 C ATOM 228 CG MET A 44 -13.304 -4.123 4.396 1.00 0.82 C ATOM 229 SD MET A 44 -14.538 -4.525 3.140 1.00 1.59 S ATOM 230 CE MET A 44 -15.794 -5.334 4.130 1.00 1.62 C ATOM 0 HA MET A 44 -13.301 -1.469 4.015 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.647 -3.826 3.066 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.430 -3.109 4.651 1.00 0.50 H new ATOM 0 HG2 MET A 44 -12.900 -5.047 4.810 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.788 -3.591 5.216 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.621 -5.639 3.489 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.366 -6.212 4.613 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.159 -4.643 4.890 1.00 1.62 H new ATOM 240 N MET A 45 -10.509 -1.287 2.225 1.00 0.28 N ATOM 241 CA MET A 45 -9.364 -0.414 1.958 1.00 0.22 C ATOM 242 C MET A 45 -9.813 0.902 1.329 1.00 0.20 C ATOM 243 O MET A 45 -9.159 1.923 1.483 1.00 0.20 O ATOM 244 CB MET A 45 -8.349 -1.098 1.045 1.00 0.24 C ATOM 245 CG MET A 45 -8.870 -1.331 -0.358 1.00 0.32 C ATOM 246 SD MET A 45 -7.899 -2.521 -1.287 1.00 0.98 S ATOM 247 CE MET A 45 -6.367 -1.627 -1.445 1.00 0.22 C ATOM 0 H MET A 45 -10.541 -2.132 1.655 1.00 0.28 H new ATOM 0 HA MET A 45 -8.888 -0.204 2.916 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.447 -0.488 0.994 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.063 -2.054 1.483 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.902 -1.679 -0.302 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.882 -0.383 -0.896 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.845 -1.956 -2.343 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.574 -0.559 -1.517 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.743 -1.818 -0.572 1.00 0.22 H new ATOM 257 N SER A 46 -10.909 0.865 0.597 1.00 0.24 N ATOM 258 CA SER A 46 -11.492 2.072 0.042 1.00 0.30 C ATOM 259 C SER A 46 -11.704 3.110 1.141 1.00 0.27 C ATOM 260 O SER A 46 -11.204 4.231 1.055 1.00 0.30 O ATOM 261 CB SER A 46 -12.807 1.725 -0.659 1.00 0.39 C ATOM 262 OG SER A 46 -13.506 2.880 -1.093 1.00 0.53 O ATOM 0 H SER A 46 -11.416 0.009 0.372 1.00 0.24 H new ATOM 0 HA SER A 46 -10.812 2.504 -0.692 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.601 1.084 -1.516 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.439 1.154 0.021 1.00 0.39 H new ATOM 0 HG SER A 46 -14.338 2.612 -1.536 1.00 0.53 H new ATOM 268 N GLN A 47 -12.427 2.730 2.182 1.00 0.25 N ATOM 269 CA GLN A 47 -12.643 3.627 3.303 1.00 0.27 C ATOM 270 C GLN A 47 -11.398 3.734 4.198 1.00 0.24 C ATOM 271 O GLN A 47 -11.002 4.832 4.582 1.00 0.29 O ATOM 272 CB GLN A 47 -13.877 3.208 4.114 1.00 0.30 C ATOM 273 CG GLN A 47 -13.833 1.781 4.630 1.00 0.33 C ATOM 274 CD GLN A 47 -15.114 1.369 5.327 1.00 0.43 C ATOM 275 OE1 GLN A 47 -16.201 1.849 4.999 1.00 1.10 O ATOM 276 NE2 GLN A 47 -14.998 0.476 6.296 1.00 1.11 N ATOM 0 H GLN A 47 -12.870 1.816 2.273 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.830 4.620 2.894 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.987 3.885 4.961 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.764 3.329 3.492 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.644 1.104 3.797 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.998 1.675 5.322 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.080 0.102 6.538 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.826 0.161 6.801 1.00 1.11 H new ATOM 285 N ALA A 48 -10.784 2.599 4.530 1.00 0.21 N ATOM 286 CA ALA A 48 -9.655 2.586 5.460 1.00 0.22 C ATOM 287 C ALA A 48 -8.372 3.139 4.851 1.00 0.20 C ATOM 288 O ALA A 48 -7.794 4.080 5.382 1.00 0.22 O ATOM 289 CB ALA A 48 -9.403 1.178 5.975 1.00 0.24 C ATOM 0 H ALA A 48 -11.047 1.681 4.171 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.934 3.242 6.284 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.560 1.189 6.665 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.291 0.816 6.493 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.177 0.519 5.137 1.00 0.24 H new ATOM 295 N LEU A 49 -7.940 2.586 3.720 1.00 0.18 N ATOM 296 CA LEU A 49 -6.635 2.916 3.153 1.00 0.18 C ATOM 297 C LEU A 49 -6.615 4.309 2.589 1.00 0.19 C ATOM 298 O LEU A 49 -5.770 5.125 2.951 1.00 0.21 O ATOM 299 CB LEU A 49 -6.283 1.974 2.009 1.00 0.23 C ATOM 300 CG LEU A 49 -5.177 0.971 2.273 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.771 0.348 0.960 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.981 1.614 2.967 1.00 0.58 C ATOM 0 H LEU A 49 -8.475 1.907 3.178 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.918 2.825 3.969 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.182 1.424 1.731 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.998 2.577 1.147 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.549 0.201 2.949 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.975 -0.377 1.132 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.630 -0.155 0.515 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.414 1.125 0.284 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.211 0.861 3.138 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.579 2.408 2.338 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.297 2.033 3.922 1.00 0.58 H new ATOM 314 N LYS A 50 -7.533 4.564 1.677 1.00 0.19 N ATOM 315 CA LYS A 50 -7.524 5.798 0.926 1.00 0.21 C ATOM 316 C LYS A 50 -7.604 7.002 1.871 1.00 0.23 C ATOM 317 O LYS A 50 -7.068 8.073 1.587 1.00 0.27 O ATOM 318 CB LYS A 50 -8.659 5.808 -0.100 1.00 0.22 C ATOM 319 CG LYS A 50 -8.738 4.533 -0.941 1.00 0.20 C ATOM 320 CD LYS A 50 -7.430 4.235 -1.674 1.00 0.21 C ATOM 321 CE LYS A 50 -7.024 5.360 -2.622 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.998 5.560 -3.726 1.00 0.55 N ATOM 0 H LYS A 50 -8.295 3.929 1.440 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.584 5.871 0.379 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.606 5.949 0.420 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.530 6.663 -0.764 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.990 3.691 -0.296 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.544 4.630 -1.668 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.636 4.075 -0.944 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.536 3.309 -2.238 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -6.926 6.287 -2.058 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.044 5.138 -3.044 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.648 6.300 -4.367 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -8.113 4.671 -4.253 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.916 5.849 -3.331 1.00 0.55 H new ATOM 336 N ALA A 51 -8.268 6.798 3.004 1.00 0.22 N ATOM 337 CA ALA A 51 -8.336 7.805 4.055 1.00 0.23 C ATOM 338 C ALA A 51 -7.048 7.845 4.890 1.00 0.23 C ATOM 339 O ALA A 51 -6.530 8.924 5.192 1.00 0.26 O ATOM 340 CB ALA A 51 -9.538 7.555 4.950 1.00 0.25 C ATOM 0 H ALA A 51 -8.770 5.936 3.218 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.446 8.776 3.573 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.575 8.315 5.730 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.450 7.601 4.355 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.452 6.569 5.408 1.00 0.25 H new ATOM 346 N THR A 52 -6.524 6.666 5.236 1.00 0.21 N ATOM 347 CA THR A 52 -5.433 6.554 6.209 1.00 0.22 C ATOM 348 C THR A 52 -4.091 7.008 5.644 1.00 0.21 C ATOM 349 O THR A 52 -3.149 7.236 6.401 1.00 0.23 O ATOM 350 CB THR A 52 -5.284 5.098 6.720 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.442 5.063 7.882 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.691 4.192 5.642 1.00 0.18 C ATOM 0 H THR A 52 -6.838 5.773 4.856 1.00 0.21 H new ATOM 0 HA THR A 52 -5.704 7.215 7.033 1.00 0.22 H new ATOM 0 HB THR A 52 -6.279 4.734 6.976 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.697 5.689 7.765 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.599 3.178 6.030 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.344 4.189 4.770 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.706 4.562 5.357 1.00 0.18 H new ATOM 360 N PHE A 53 -4.015 7.162 4.325 1.00 0.23 N ATOM 361 CA PHE A 53 -2.741 7.391 3.641 1.00 0.27 C ATOM 362 C PHE A 53 -1.932 8.527 4.245 1.00 0.32 C ATOM 363 O PHE A 53 -0.699 8.484 4.232 1.00 0.34 O ATOM 364 CB PHE A 53 -2.958 7.662 2.154 1.00 0.31 C ATOM 365 CG PHE A 53 -3.362 6.448 1.387 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.773 5.231 1.641 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.346 6.525 0.420 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.153 4.110 0.940 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.732 5.403 -0.281 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.088 4.197 -0.052 1.00 0.38 C ATOM 0 H PHE A 53 -4.824 7.133 3.704 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.168 6.473 3.771 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.725 8.428 2.039 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.039 8.064 1.727 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.006 5.155 2.397 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.817 7.474 0.211 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.709 3.154 1.176 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.532 5.463 -1.005 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.324 3.332 -0.654 1.00 0.38 H new ATOM 380 N SER A 54 -2.616 9.517 4.795 1.00 0.36 N ATOM 381 CA SER A 54 -1.957 10.673 5.374 1.00 0.44 C ATOM 382 C SER A 54 -1.075 10.272 6.557 1.00 0.39 C ATOM 383 O SER A 54 -0.236 11.047 7.002 1.00 0.46 O ATOM 384 CB SER A 54 -3.004 11.690 5.813 1.00 0.55 C ATOM 385 OG SER A 54 -3.904 11.974 4.756 1.00 1.37 O ATOM 0 H SER A 54 -3.634 9.541 4.852 1.00 0.36 H new ATOM 0 HA SER A 54 -1.313 11.120 4.617 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.554 11.305 6.671 1.00 0.55 H new ATOM 0 HB3 SER A 54 -2.513 12.608 6.135 1.00 0.55 H new ATOM 0 HG SER A 54 -4.569 12.627 5.059 1.00 1.37 H new ATOM 391 N GLY A 55 -1.290 9.070 7.081 1.00 0.31 N ATOM 392 CA GLY A 55 -0.453 8.557 8.147 1.00 0.28 C ATOM 393 C GLY A 55 1.012 8.431 7.760 1.00 0.22 C ATOM 394 O GLY A 55 1.852 9.177 8.262 1.00 0.25 O ATOM 0 H GLY A 55 -2.034 8.439 6.783 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.537 9.214 9.012 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.825 7.579 8.452 1.00 0.28 H new ATOM 398 N PHE A 56 1.322 7.525 6.839 1.00 0.15 N ATOM 399 CA PHE A 56 2.717 7.264 6.489 1.00 0.12 C ATOM 400 C PHE A 56 3.280 8.390 5.657 1.00 0.13 C ATOM 401 O PHE A 56 4.385 8.838 5.891 1.00 0.17 O ATOM 402 CB PHE A 56 2.891 5.952 5.723 1.00 0.13 C ATOM 403 CG PHE A 56 4.324 5.688 5.336 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.195 5.079 6.227 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.802 6.066 4.091 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.513 4.853 5.881 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.119 5.843 3.742 1.00 0.26 C ATOM 408 CZ PHE A 56 6.976 5.236 4.637 1.00 0.28 C ATOM 0 H PHE A 56 0.640 6.966 6.327 1.00 0.15 H new ATOM 0 HA PHE A 56 3.259 7.187 7.431 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.527 5.127 6.336 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.275 5.977 4.824 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.839 4.778 7.201 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.136 6.541 3.385 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.182 4.377 6.583 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.478 6.144 2.769 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.007 5.061 4.366 1.00 0.28 H new ATOM 418 N THR A 57 2.495 8.851 4.702 1.00 0.16 N ATOM 419 CA THR A 57 2.926 9.897 3.777 1.00 0.24 C ATOM 420 C THR A 57 3.343 11.164 4.535 1.00 0.26 C ATOM 421 O THR A 57 4.144 11.961 4.052 1.00 0.35 O ATOM 422 CB THR A 57 1.796 10.237 2.795 1.00 0.32 C ATOM 423 OG1 THR A 57 1.249 9.024 2.242 1.00 0.39 O ATOM 424 CG2 THR A 57 2.295 11.130 1.663 1.00 0.46 C ATOM 0 H THR A 57 1.545 8.517 4.541 1.00 0.16 H new ATOM 0 HA THR A 57 3.787 9.521 3.224 1.00 0.24 H new ATOM 0 HB THR A 57 1.024 10.777 3.344 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.527 8.698 2.819 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.471 11.353 0.985 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.685 12.060 2.078 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.086 10.617 1.116 1.00 0.46 H new ATOM 432 N LYS A 58 2.820 11.304 5.748 1.00 0.24 N ATOM 433 CA LYS A 58 3.135 12.445 6.603 1.00 0.31 C ATOM 434 C LYS A 58 4.499 12.246 7.246 1.00 0.29 C ATOM 435 O LYS A 58 5.337 13.150 7.272 1.00 0.31 O ATOM 436 CB LYS A 58 2.091 12.598 7.704 1.00 0.39 C ATOM 437 CG LYS A 58 2.245 13.860 8.537 1.00 0.50 C ATOM 438 CD LYS A 58 1.671 13.704 9.945 1.00 1.34 C ATOM 439 CE LYS A 58 0.192 13.327 9.951 1.00 1.93 C ATOM 440 NZ LYS A 58 -0.033 11.882 9.676 1.00 2.52 N ATOM 0 H LYS A 58 2.171 10.637 6.165 1.00 0.24 H new ATOM 0 HA LYS A 58 3.139 13.343 5.985 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.099 12.593 7.252 1.00 0.39 H new ATOM 0 HB3 LYS A 58 2.145 11.732 8.364 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.301 14.120 8.605 1.00 0.50 H new ATOM 0 HG3 LYS A 58 1.745 14.687 8.034 1.00 0.50 H new ATOM 0 HD2 LYS A 58 2.237 12.940 10.479 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.804 14.638 10.490 1.00 1.34 H new ATOM 0 HE2 LYS A 58 -0.239 13.580 10.920 1.00 1.93 H new ATOM 0 HE3 LYS A 58 -0.333 13.921 9.203 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 -0.888 11.563 10.175 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 -0.155 11.738 8.653 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 0.786 11.334 10.007 1.00 2.52 H new ATOM 454 N GLU A 59 4.717 11.044 7.761 1.00 0.26 N ATOM 455 CA GLU A 59 5.945 10.735 8.472 1.00 0.25 C ATOM 456 C GLU A 59 7.035 10.360 7.475 1.00 0.21 C ATOM 457 O GLU A 59 8.215 10.375 7.791 1.00 0.24 O ATOM 458 CB GLU A 59 5.716 9.611 9.485 1.00 0.31 C ATOM 459 CG GLU A 59 6.337 8.287 9.090 1.00 0.43 C ATOM 460 CD GLU A 59 6.124 7.223 10.142 1.00 0.76 C ATOM 461 OE1 GLU A 59 6.836 7.241 11.171 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.218 6.381 9.967 1.00 0.97 O ATOM 0 H GLU A 59 4.058 10.268 7.699 1.00 0.26 H new ATOM 0 HA GLU A 59 6.267 11.617 9.026 1.00 0.25 H new ATOM 0 HB2 GLU A 59 6.122 9.917 10.449 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.644 9.471 9.620 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.908 7.953 8.145 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.406 8.423 8.924 1.00 0.43 H new ATOM 469 N GLN A 60 6.610 10.007 6.277 1.00 0.19 N ATOM 470 CA GLN A 60 7.508 9.760 5.164 1.00 0.19 C ATOM 471 C GLN A 60 8.361 10.993 4.947 1.00 0.22 C ATOM 472 O GLN A 60 9.582 10.922 4.867 1.00 0.23 O ATOM 473 CB GLN A 60 6.675 9.456 3.919 1.00 0.21 C ATOM 474 CG GLN A 60 7.473 9.071 2.698 1.00 0.28 C ATOM 475 CD GLN A 60 6.580 8.871 1.491 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.524 9.493 1.373 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.994 8.010 0.585 1.00 0.26 N ATOM 0 H GLN A 60 5.624 9.882 6.047 1.00 0.19 H new ATOM 0 HA GLN A 60 8.158 8.910 5.371 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.982 8.647 4.152 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.073 10.333 3.680 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.208 9.847 2.483 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.027 8.154 2.898 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.875 7.514 0.718 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.434 7.839 -0.250 1.00 0.26 H new ATOM 486 N GLN A 61 7.687 12.128 4.911 1.00 0.28 N ATOM 487 CA GLN A 61 8.343 13.424 4.810 1.00 0.34 C ATOM 488 C GLN A 61 9.259 13.636 6.018 1.00 0.34 C ATOM 489 O GLN A 61 10.378 14.140 5.900 1.00 0.37 O ATOM 490 CB GLN A 61 7.288 14.530 4.785 1.00 0.45 C ATOM 491 CG GLN A 61 6.136 14.261 3.831 1.00 0.58 C ATOM 492 CD GLN A 61 6.587 13.952 2.417 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.597 14.469 1.942 1.00 1.23 O ATOM 494 NE2 GLN A 61 5.847 13.086 1.745 1.00 1.12 N ATOM 0 H GLN A 61 6.669 12.180 4.951 1.00 0.28 H new ATOM 0 HA GLN A 61 8.933 13.455 3.894 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.890 14.662 5.791 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.766 15.469 4.506 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.549 13.424 4.209 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.478 15.130 3.813 1.00 0.58 H new ATOM 0 HE21 GLN A 61 5.017 12.681 2.177 1.00 1.12 H new ATOM 0 HE22 GLN A 61 6.107 12.823 0.794 1.00 1.12 H new ATOM 503 N ARG A 62 8.758 13.219 7.179 1.00 0.34 N ATOM 504 CA ARG A 62 9.450 13.357 8.459 1.00 0.39 C ATOM 505 C ARG A 62 10.741 12.553 8.474 1.00 0.36 C ATOM 506 O ARG A 62 11.817 13.080 8.760 1.00 0.41 O ATOM 507 CB ARG A 62 8.526 12.858 9.572 1.00 0.44 C ATOM 508 CG ARG A 62 9.172 12.723 10.943 1.00 0.58 C ATOM 509 CD ARG A 62 9.363 14.060 11.634 1.00 1.13 C ATOM 510 NE ARG A 62 9.736 13.870 13.035 1.00 1.93 N ATOM 511 CZ ARG A 62 9.595 14.795 13.982 1.00 2.74 C ATOM 512 NH1 ARG A 62 9.127 15.999 13.679 1.00 2.99 N ATOM 513 NH2 ARG A 62 9.913 14.507 15.238 1.00 3.73 N ATOM 0 H ARG A 62 7.846 12.769 7.258 1.00 0.34 H new ATOM 0 HA ARG A 62 9.703 14.406 8.612 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.680 13.541 9.653 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.125 11.887 9.281 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.554 12.080 11.570 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.139 12.232 10.838 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.136 14.633 11.121 1.00 1.13 H new ATOM 0 HD3 ARG A 62 8.443 14.641 11.573 1.00 1.13 H new ATOM 0 HE ARG A 62 10.130 12.969 13.305 1.00 1.93 H new ATOM 0 HH11 ARG A 62 8.873 16.220 12.716 1.00 2.99 H new ATOM 0 HH12 ARG A 62 9.021 16.704 14.409 1.00 2.99 H new ATOM 0 HH21 ARG A 62 10.264 13.579 15.475 1.00 3.73 H new ATOM 0 HH22 ARG A 62 9.806 15.213 15.966 1.00 3.73 H new ATOM 527 N LEU A 63 10.615 11.276 8.146 1.00 0.30 N ATOM 528 CA LEU A 63 11.731 10.344 8.169 1.00 0.32 C ATOM 529 C LEU A 63 12.659 10.563 6.999 1.00 0.31 C ATOM 530 O LEU A 63 13.600 9.800 6.789 1.00 0.37 O ATOM 531 CB LEU A 63 11.213 8.906 8.185 1.00 0.33 C ATOM 532 CG LEU A 63 10.360 8.546 9.402 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.902 7.099 9.321 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.136 8.792 10.685 1.00 0.65 C ATOM 0 H LEU A 63 9.732 10.856 7.855 1.00 0.30 H new ATOM 0 HA LEU A 63 12.304 10.524 9.079 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.625 8.736 7.283 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.065 8.227 8.142 1.00 0.33 H new ATOM 0 HG LEU A 63 9.477 9.185 9.408 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.296 6.860 10.195 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.309 6.955 8.418 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.772 6.443 9.292 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.515 8.531 11.542 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.036 8.178 10.689 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.414 9.844 10.746 1.00 0.65 H new ATOM 546 N GLY A 64 12.394 11.615 6.247 1.00 0.28 N ATOM 547 CA GLY A 64 13.207 11.919 5.095 1.00 0.30 C ATOM 548 C GLY A 64 13.089 10.835 4.062 1.00 0.27 C ATOM 549 O GLY A 64 13.991 10.626 3.251 1.00 0.33 O ATOM 0 H GLY A 64 11.627 12.266 6.415 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.897 12.872 4.666 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.249 12.029 5.397 1.00 0.30 H new ATOM 553 N ILE A 65 11.975 10.122 4.115 1.00 0.22 N ATOM 554 CA ILE A 65 11.720 9.074 3.173 1.00 0.20 C ATOM 555 C ILE A 65 11.183 9.690 1.891 1.00 0.21 C ATOM 556 O ILE A 65 10.208 10.438 1.922 1.00 0.23 O ATOM 557 CB ILE A 65 10.713 8.021 3.693 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.246 7.339 4.955 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.423 6.982 2.612 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.396 6.171 5.413 1.00 0.20 C ATOM 0 H ILE A 65 11.239 10.260 4.807 1.00 0.22 H new ATOM 0 HA ILE A 65 12.662 8.554 3.001 1.00 0.20 H new ATOM 0 HB ILE A 65 9.784 8.532 3.945 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.261 6.989 4.768 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.305 8.073 5.759 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.713 6.248 2.994 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.000 7.476 1.737 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.349 6.479 2.333 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.831 5.734 6.312 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.386 6.519 5.631 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.358 5.418 4.626 1.00 0.20 H new ATOM 572 N PRO A 66 11.842 9.419 0.763 1.00 0.24 N ATOM 573 CA PRO A 66 11.377 9.878 -0.547 1.00 0.27 C ATOM 574 C PRO A 66 9.895 9.565 -0.751 1.00 0.22 C ATOM 575 O PRO A 66 9.465 8.442 -0.530 1.00 0.23 O ATOM 576 CB PRO A 66 12.221 9.057 -1.513 1.00 0.35 C ATOM 577 CG PRO A 66 13.462 8.702 -0.770 1.00 0.26 C ATOM 578 CD PRO A 66 13.099 8.658 0.684 1.00 0.31 C ATOM 0 HA PRO A 66 11.477 10.956 -0.677 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.688 8.162 -1.834 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.454 9.629 -2.411 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.848 7.738 -1.101 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.245 9.439 -0.951 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.967 7.633 1.031 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.876 9.107 1.303 1.00 0.31 H new ATOM 586 N LYS A 67 9.119 10.575 -1.131 1.00 0.25 N ATOM 587 CA LYS A 67 7.677 10.413 -1.350 1.00 0.27 C ATOM 588 C LYS A 67 7.384 9.388 -2.446 1.00 0.25 C ATOM 589 O LYS A 67 6.398 8.653 -2.374 1.00 0.36 O ATOM 590 CB LYS A 67 7.042 11.754 -1.719 1.00 0.43 C ATOM 591 CG LYS A 67 7.753 12.448 -2.865 1.00 1.04 C ATOM 592 CD LYS A 67 6.926 13.589 -3.434 1.00 1.15 C ATOM 593 CE LYS A 67 7.631 14.268 -4.597 1.00 1.67 C ATOM 594 NZ LYS A 67 7.870 13.333 -5.733 1.00 2.42 N ATOM 0 H LYS A 67 9.462 11.521 -1.296 1.00 0.25 H new ATOM 0 HA LYS A 67 7.244 10.048 -0.419 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.998 11.594 -1.989 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.049 12.406 -0.846 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.712 12.832 -2.518 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.965 11.725 -3.652 1.00 1.04 H new ATOM 0 HD2 LYS A 67 5.960 13.208 -3.766 1.00 1.15 H new ATOM 0 HD3 LYS A 67 6.728 14.321 -2.651 1.00 1.15 H new ATOM 0 HE2 LYS A 67 7.031 15.110 -4.942 1.00 1.67 H new ATOM 0 HE3 LYS A 67 8.583 14.674 -4.256 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 8.080 13.878 -6.593 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 8.676 12.714 -5.510 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.021 12.753 -5.890 1.00 2.42 H new ATOM 608 N ASP A 68 8.238 9.355 -3.456 1.00 0.28 N ATOM 609 CA ASP A 68 8.093 8.407 -4.542 1.00 0.28 C ATOM 610 C ASP A 68 8.580 7.060 -4.056 1.00 0.21 C ATOM 611 O ASP A 68 9.403 6.991 -3.155 1.00 0.23 O ATOM 612 CB ASP A 68 8.909 8.845 -5.770 1.00 0.39 C ATOM 613 CG ASP A 68 8.857 10.338 -6.040 1.00 1.12 C ATOM 614 OD1 ASP A 68 9.299 11.123 -5.182 1.00 1.65 O ATOM 615 OD2 ASP A 68 8.344 10.742 -7.108 1.00 1.88 O ATOM 0 H ASP A 68 9.041 9.978 -3.544 1.00 0.28 H new ATOM 0 HA ASP A 68 7.046 8.354 -4.841 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.948 8.547 -5.629 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.541 8.314 -6.648 1.00 0.39 H new ATOM 620 N PRO A 69 8.054 5.966 -4.593 1.00 0.19 N ATOM 621 CA PRO A 69 8.514 4.636 -4.249 1.00 0.20 C ATOM 622 C PRO A 69 9.489 4.070 -5.271 1.00 0.26 C ATOM 623 O PRO A 69 9.780 2.890 -5.249 1.00 0.65 O ATOM 624 CB PRO A 69 7.210 3.863 -4.284 1.00 0.40 C ATOM 625 CG PRO A 69 6.452 4.474 -5.420 1.00 0.37 C ATOM 626 CD PRO A 69 6.915 5.913 -5.524 1.00 0.22 C ATOM 0 HA PRO A 69 9.058 4.599 -3.305 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.382 2.799 -4.446 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.665 3.958 -3.345 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.645 3.937 -6.348 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.378 4.424 -5.241 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.214 6.168 -6.541 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.128 6.611 -5.238 1.00 0.22 H new ATOM 634 N ARG A 70 9.978 4.921 -6.162 1.00 0.20 N ATOM 635 CA ARG A 70 10.801 4.478 -7.294 1.00 0.26 C ATOM 636 C ARG A 70 12.301 4.596 -6.991 1.00 0.19 C ATOM 637 O ARG A 70 13.134 4.388 -7.869 1.00 0.27 O ATOM 638 CB ARG A 70 10.479 5.325 -8.538 1.00 0.46 C ATOM 639 CG ARG A 70 9.101 5.981 -8.515 1.00 0.96 C ATOM 640 CD ARG A 70 7.979 5.022 -8.898 1.00 0.87 C ATOM 641 NE ARG A 70 7.970 4.726 -10.333 1.00 1.06 N ATOM 642 CZ ARG A 70 7.067 5.209 -11.193 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.132 6.059 -10.781 1.00 1.89 N ATOM 644 NH2 ARG A 70 7.108 4.850 -12.468 1.00 1.79 N ATOM 0 H ARG A 70 9.822 5.928 -6.128 1.00 0.20 H new ATOM 0 HA ARG A 70 10.567 3.429 -7.475 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.236 6.102 -8.639 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.552 4.692 -9.422 1.00 0.46 H new ATOM 0 HG2 ARG A 70 8.909 6.376 -7.517 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.097 6.829 -9.200 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.090 4.094 -8.338 1.00 0.87 H new ATOM 0 HD3 ARG A 70 7.020 5.454 -8.612 1.00 0.87 H new ATOM 0 HE ARG A 70 8.698 4.113 -10.699 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.100 6.347 -9.803 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.447 6.423 -11.443 1.00 1.89 H new ATOM 0 HH21 ARG A 70 7.828 4.205 -12.793 1.00 1.79 H new ATOM 0 HH22 ARG A 70 6.419 5.218 -13.124 1.00 1.79 H new ATOM 658 N GLN A 71 12.637 4.927 -5.751 1.00 0.16 N ATOM 659 CA GLN A 71 14.033 5.200 -5.383 1.00 0.16 C ATOM 660 C GLN A 71 14.323 4.842 -3.924 1.00 0.15 C ATOM 661 O GLN A 71 15.319 5.275 -3.348 1.00 0.18 O ATOM 662 CB GLN A 71 14.352 6.685 -5.614 1.00 0.20 C ATOM 663 CG GLN A 71 13.831 7.588 -4.510 1.00 0.38 C ATOM 664 CD GLN A 71 12.330 7.502 -4.351 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.862 6.511 -3.593 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.598 8.285 -4.933 1.00 0.29 N flip ATOM 0 H GLN A 71 11.972 5.014 -4.983 1.00 0.16 H new ATOM 0 HA GLN A 71 14.665 4.575 -6.015 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.432 6.809 -5.697 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.921 6.999 -6.565 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.309 7.318 -3.568 1.00 0.38 H new ATOM 0 HG3 GLN A 71 14.112 8.619 -4.726 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.998 9.030 -5.503 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.585 8.195 -4.849 1.00 0.29 H new ATOM 675 N TRP A 72 13.467 4.031 -3.340 1.00 0.12 N ATOM 676 CA TRP A 72 13.562 3.700 -1.933 1.00 0.11 C ATOM 677 C TRP A 72 14.644 2.661 -1.668 1.00 0.12 C ATOM 678 O TRP A 72 15.099 1.963 -2.567 1.00 0.14 O ATOM 679 CB TRP A 72 12.221 3.113 -1.476 1.00 0.11 C ATOM 680 CG TRP A 72 11.212 4.117 -1.041 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.416 5.429 -0.754 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.825 3.867 -0.824 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.230 6.012 -0.391 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.239 5.073 -0.427 1.00 0.08 C ATOM 685 CE3 TRP A 72 9.023 2.738 -0.938 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.880 5.178 -0.140 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.680 2.842 -0.656 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.120 4.054 -0.264 1.00 0.10 C ATOM 0 H TRP A 72 12.688 3.584 -3.824 1.00 0.12 H new ATOM 0 HA TRP A 72 13.812 4.611 -1.389 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.800 2.527 -2.293 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.405 2.424 -0.652 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.368 5.936 -0.804 1.00 0.10 H new ATOM 0 HE1 TRP A 72 10.107 6.992 -0.135 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.447 1.793 -1.243 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.444 6.117 0.170 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.050 1.969 -0.740 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.062 4.105 -0.054 1.00 0.10 H new ATOM 699 N THR A 73 15.092 2.613 -0.433 1.00 0.14 N ATOM 700 CA THR A 73 15.887 1.506 0.041 1.00 0.15 C ATOM 701 C THR A 73 14.946 0.379 0.433 1.00 0.15 C ATOM 702 O THR A 73 13.737 0.608 0.533 1.00 0.16 O ATOM 703 CB THR A 73 16.718 1.926 1.264 1.00 0.18 C ATOM 704 OG1 THR A 73 15.845 2.467 2.264 1.00 0.19 O ATOM 705 CG2 THR A 73 17.760 2.969 0.888 1.00 0.21 C ATOM 0 H THR A 73 14.916 3.335 0.265 1.00 0.14 H new ATOM 0 HA THR A 73 16.569 1.182 -0.745 1.00 0.15 H new ATOM 0 HB THR A 73 17.235 1.047 1.648 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.662 3.409 2.064 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.332 3.247 1.773 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.432 2.557 0.136 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.263 3.852 0.486 1.00 0.21 H new ATOM 713 N GLU A 74 15.461 -0.816 0.673 1.00 0.17 N ATOM 714 CA GLU A 74 14.593 -1.900 1.117 1.00 0.20 C ATOM 715 C GLU A 74 14.078 -1.626 2.528 1.00 0.19 C ATOM 716 O GLU A 74 13.086 -2.207 2.965 1.00 0.28 O ATOM 717 CB GLU A 74 15.248 -3.294 0.986 1.00 0.29 C ATOM 718 CG GLU A 74 16.762 -3.352 1.166 1.00 1.25 C ATOM 719 CD GLU A 74 17.207 -3.205 2.601 1.00 1.79 C ATOM 720 OE1 GLU A 74 17.141 -4.205 3.352 1.00 1.99 O ATOM 721 OE2 GLU A 74 17.654 -2.106 2.974 1.00 2.67 O ATOM 0 H GLU A 74 16.447 -1.059 0.572 1.00 0.17 H new ATOM 0 HA GLU A 74 13.736 -1.927 0.444 1.00 0.20 H new ATOM 0 HB2 GLU A 74 14.791 -3.957 1.721 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.005 -3.694 0.002 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.130 -4.301 0.776 1.00 1.25 H new ATOM 0 HG3 GLU A 74 17.221 -2.563 0.570 1.00 1.25 H new ATOM 728 N THR A 75 14.719 -0.685 3.214 1.00 0.18 N ATOM 729 CA THR A 75 14.243 -0.229 4.506 1.00 0.21 C ATOM 730 C THR A 75 13.025 0.680 4.323 1.00 0.17 C ATOM 731 O THR A 75 12.029 0.545 5.027 1.00 0.20 O ATOM 732 CB THR A 75 15.331 0.551 5.260 1.00 0.29 C ATOM 733 OG1 THR A 75 16.626 0.074 4.876 1.00 0.47 O ATOM 734 CG2 THR A 75 15.159 0.399 6.764 1.00 0.47 C ATOM 0 H THR A 75 15.571 -0.225 2.892 1.00 0.18 H new ATOM 0 HA THR A 75 13.974 -1.110 5.088 1.00 0.21 H new ATOM 0 HB THR A 75 15.238 1.606 5.002 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.316 0.576 5.359 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.940 0.959 7.278 1.00 0.47 H new ATOM 0 HG22 THR A 75 14.183 0.783 7.059 1.00 0.47 H new ATOM 0 HG23 THR A 75 15.231 -0.655 7.034 1.00 0.47 H new ATOM 742 N HIS A 76 13.099 1.569 3.328 1.00 0.14 N ATOM 743 CA HIS A 76 12.047 2.558 3.095 1.00 0.12 C ATOM 744 C HIS A 76 10.806 1.884 2.525 1.00 0.10 C ATOM 745 O HIS A 76 9.676 2.250 2.855 1.00 0.10 O ATOM 746 CB HIS A 76 12.526 3.664 2.145 1.00 0.14 C ATOM 747 CG HIS A 76 13.492 4.627 2.766 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.540 5.201 2.077 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.549 5.134 4.017 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.199 6.011 2.878 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.618 5.987 4.060 1.00 0.19 N ATOM 0 H HIS A 76 13.878 1.623 2.672 1.00 0.14 H new ATOM 0 HA HIS A 76 11.798 3.015 4.053 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.996 3.204 1.276 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.660 4.218 1.783 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.876 4.908 4.831 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.067 6.595 2.612 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.917 6.519 4.877 1.00 0.19 H new ATOM 760 N VAL A 77 11.028 0.895 1.669 1.00 0.09 N ATOM 761 CA VAL A 77 9.950 0.130 1.097 1.00 0.07 C ATOM 762 C VAL A 77 9.237 -0.653 2.191 1.00 0.08 C ATOM 763 O VAL A 77 8.031 -0.527 2.345 1.00 0.08 O ATOM 764 CB VAL A 77 10.453 -0.817 -0.018 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.373 -1.812 -0.401 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.908 -0.017 -1.241 1.00 0.08 C ATOM 0 H VAL A 77 11.957 0.609 1.359 1.00 0.09 H new ATOM 0 HA VAL A 77 9.245 0.823 0.637 1.00 0.07 H new ATOM 0 HB VAL A 77 11.309 -1.372 0.365 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.746 -2.469 -1.187 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.101 -2.407 0.471 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.496 -1.276 -0.763 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.258 -0.701 -2.014 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.072 0.567 -1.625 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.719 0.654 -0.956 1.00 0.08 H new ATOM 776 N ARG A 78 9.989 -1.424 2.981 1.00 0.09 N ATOM 777 CA ARG A 78 9.388 -2.206 4.063 1.00 0.11 C ATOM 778 C ARG A 78 8.701 -1.306 5.089 1.00 0.10 C ATOM 779 O ARG A 78 7.723 -1.709 5.710 1.00 0.14 O ATOM 780 CB ARG A 78 10.429 -3.075 4.762 1.00 0.18 C ATOM 781 CG ARG A 78 10.964 -4.206 3.899 1.00 0.37 C ATOM 782 CD ARG A 78 11.925 -5.089 4.677 1.00 0.40 C ATOM 783 NE ARG A 78 12.677 -5.974 3.798 1.00 1.11 N ATOM 784 CZ ARG A 78 13.979 -5.840 3.556 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.668 -4.870 4.151 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.590 -6.680 2.727 1.00 2.21 N ATOM 0 H ARG A 78 11.000 -1.523 2.894 1.00 0.09 H new ATOM 0 HA ARG A 78 8.637 -2.852 3.607 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.262 -2.446 5.077 1.00 0.18 H new ATOM 0 HB3 ARG A 78 9.989 -3.497 5.666 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.134 -4.807 3.528 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.472 -3.792 3.028 1.00 0.37 H new ATOM 0 HD2 ARG A 78 12.617 -4.464 5.242 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.368 -5.683 5.401 1.00 0.40 H new ATOM 0 HE ARG A 78 12.178 -6.739 3.343 1.00 1.11 H new ATOM 0 HH11 ARG A 78 14.199 -4.230 4.792 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.666 -4.766 3.967 1.00 1.57 H new ATOM 0 HH21 ARG A 78 14.061 -7.427 2.277 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.588 -6.578 2.541 1.00 2.21 H new ATOM 800 N ASP A 79 9.223 -0.095 5.251 1.00 0.11 N ATOM 801 CA ASP A 79 8.618 0.912 6.126 1.00 0.12 C ATOM 802 C ASP A 79 7.173 1.133 5.729 1.00 0.11 C ATOM 803 O ASP A 79 6.232 0.926 6.507 1.00 0.12 O ATOM 804 CB ASP A 79 9.370 2.236 5.980 1.00 0.16 C ATOM 805 CG ASP A 79 9.959 2.727 7.287 1.00 0.57 C ATOM 806 OD1 ASP A 79 9.260 3.439 8.028 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.136 2.408 7.574 1.00 0.95 O ATOM 0 H ASP A 79 10.073 0.219 4.783 1.00 0.11 H new ATOM 0 HA ASP A 79 8.671 0.562 7.157 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.170 2.115 5.250 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.691 2.992 5.587 1.00 0.16 H new ATOM 812 N TRP A 80 7.011 1.492 4.473 1.00 0.10 N ATOM 813 CA TRP A 80 5.719 1.799 3.912 1.00 0.09 C ATOM 814 C TRP A 80 4.908 0.517 3.746 1.00 0.09 C ATOM 815 O TRP A 80 3.675 0.518 3.840 1.00 0.09 O ATOM 816 CB TRP A 80 5.963 2.493 2.573 1.00 0.09 C ATOM 817 CG TRP A 80 4.891 2.298 1.568 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.804 3.085 1.357 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.823 1.242 0.618 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.067 2.580 0.319 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.673 1.444 -0.145 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.635 0.140 0.340 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.311 0.587 -1.166 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.270 -0.712 -0.676 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.117 -0.483 -1.421 1.00 0.10 C ATOM 0 H TRP A 80 7.781 1.579 3.810 1.00 0.10 H new ATOM 0 HA TRP A 80 5.144 2.455 4.565 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.085 3.561 2.750 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.902 2.129 2.157 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.559 3.973 1.921 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.206 2.985 -0.049 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.533 -0.040 0.912 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.416 0.759 -1.745 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.886 -1.570 -0.899 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.856 -1.166 -2.216 1.00 0.10 H new ATOM 836 N VAL A 81 5.634 -0.572 3.535 1.00 0.10 N ATOM 837 CA VAL A 81 5.059 -1.889 3.357 1.00 0.11 C ATOM 838 C VAL A 81 4.300 -2.295 4.610 1.00 0.11 C ATOM 839 O VAL A 81 3.099 -2.558 4.579 1.00 0.11 O ATOM 840 CB VAL A 81 6.183 -2.912 3.032 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.874 -4.306 3.545 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.443 -2.960 1.536 1.00 0.14 C ATOM 0 H VAL A 81 6.653 -0.561 3.483 1.00 0.10 H new ATOM 0 HA VAL A 81 4.357 -1.871 2.523 1.00 0.11 H new ATOM 0 HB VAL A 81 7.078 -2.566 3.550 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.693 -4.978 3.289 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.753 -4.277 4.628 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.953 -4.666 3.087 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.233 -3.681 1.327 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.532 -3.259 1.018 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.751 -1.974 1.188 1.00 0.14 H new ATOM 852 N MET A 82 5.004 -2.309 5.720 1.00 0.11 N ATOM 853 CA MET A 82 4.405 -2.689 6.977 1.00 0.12 C ATOM 854 C MET A 82 3.445 -1.626 7.497 1.00 0.11 C ATOM 855 O MET A 82 2.672 -1.908 8.400 1.00 0.12 O ATOM 856 CB MET A 82 5.463 -3.020 8.021 1.00 0.15 C ATOM 857 CG MET A 82 6.329 -1.842 8.426 1.00 0.13 C ATOM 858 SD MET A 82 7.621 -2.310 9.593 1.00 0.49 S ATOM 859 CE MET A 82 6.653 -3.185 10.820 1.00 0.42 C ATOM 0 H MET A 82 5.992 -2.061 5.776 1.00 0.11 H new ATOM 0 HA MET A 82 3.823 -3.591 6.788 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.970 -3.416 8.909 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.104 -3.811 7.633 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.786 -1.407 7.537 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.702 -1.070 8.872 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.236 -3.291 11.735 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.743 -2.624 11.033 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.391 -4.172 10.440 1.00 0.42 H new ATOM 869 N TRP A 83 3.489 -0.403 6.965 1.00 0.09 N ATOM 870 CA TRP A 83 2.569 0.622 7.445 1.00 0.09 C ATOM 871 C TRP A 83 1.129 0.329 7.022 1.00 0.09 C ATOM 872 O TRP A 83 0.256 0.186 7.869 1.00 0.11 O ATOM 873 CB TRP A 83 2.970 2.026 6.980 1.00 0.09 C ATOM 874 CG TRP A 83 1.994 3.061 7.433 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.977 3.697 8.635 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.878 3.562 6.694 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.919 4.568 8.688 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.232 4.505 7.507 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.371 3.308 5.417 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.900 5.190 7.086 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.751 3.988 5.002 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.374 4.919 5.832 1.00 0.15 C ATOM 0 H TRP A 83 4.129 -0.107 6.228 1.00 0.09 H new ATOM 0 HA TRP A 83 2.628 0.596 8.533 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.961 2.267 7.366 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.039 2.043 5.892 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.691 3.539 9.430 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.683 5.166 9.480 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.851 2.591 4.767 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.388 5.910 7.725 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.155 3.798 4.019 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.252 5.438 5.476 1.00 0.15 H new ATOM 893 N ALA A 84 0.865 0.240 5.725 1.00 0.09 N ATOM 894 CA ALA A 84 -0.499 -0.039 5.282 1.00 0.10 C ATOM 895 C ALA A 84 -0.936 -1.373 5.866 1.00 0.10 C ATOM 896 O ALA A 84 -2.086 -1.566 6.263 1.00 0.12 O ATOM 897 CB ALA A 84 -0.597 -0.045 3.764 1.00 0.12 C ATOM 0 H ALA A 84 1.552 0.353 4.979 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.163 0.749 5.637 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.624 -0.255 3.467 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.299 0.929 3.376 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.062 -0.813 3.360 1.00 0.12 H new ATOM 903 N VAL A 85 0.034 -2.266 5.946 1.00 0.10 N ATOM 904 CA VAL A 85 -0.116 -3.540 6.615 1.00 0.11 C ATOM 905 C VAL A 85 -0.532 -3.382 8.084 1.00 0.13 C ATOM 906 O VAL A 85 -1.583 -3.869 8.475 1.00 0.14 O ATOM 907 CB VAL A 85 1.208 -4.337 6.490 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.424 -5.302 7.646 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.239 -5.081 5.170 1.00 0.14 C ATOM 0 H VAL A 85 0.959 -2.122 5.542 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.922 -4.091 6.129 1.00 0.11 H new ATOM 0 HB VAL A 85 2.024 -3.616 6.526 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.366 -5.833 7.506 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.457 -4.746 8.583 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.604 -6.020 7.679 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.172 -5.639 5.089 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.398 -5.772 5.122 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.170 -4.368 4.349 1.00 0.14 H new ATOM 919 N ASN A 86 0.265 -2.690 8.893 1.00 0.15 N ATOM 920 CA ASN A 86 0.013 -2.639 10.334 1.00 0.19 C ATOM 921 C ASN A 86 -1.280 -1.900 10.654 1.00 0.23 C ATOM 922 O ASN A 86 -1.893 -2.122 11.694 1.00 0.27 O ATOM 923 CB ASN A 86 1.209 -2.059 11.109 1.00 0.23 C ATOM 924 CG ASN A 86 1.178 -0.551 11.340 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.673 0.202 10.384 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.632 -0.067 12.375 1.00 0.32 N flip ATOM 0 H ASN A 86 1.081 -2.162 8.583 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.112 -3.668 10.671 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.266 -2.555 12.078 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.123 -2.307 10.569 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.016 -0.676 13.097 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.624 0.944 12.512 1.00 0.32 H new ATOM 933 N GLU A 87 -1.711 -1.067 9.721 1.00 0.24 N ATOM 934 CA GLU A 87 -2.911 -0.267 9.903 1.00 0.31 C ATOM 935 C GLU A 87 -4.109 -1.173 9.726 1.00 0.28 C ATOM 936 O GLU A 87 -5.109 -1.087 10.437 1.00 0.35 O ATOM 937 CB GLU A 87 -2.944 0.873 8.879 1.00 0.38 C ATOM 938 CG GLU A 87 -4.134 1.804 9.031 1.00 1.23 C ATOM 939 CD GLU A 87 -4.166 2.481 10.382 1.00 1.35 C ATOM 940 OE1 GLU A 87 -3.345 3.389 10.616 1.00 1.08 O ATOM 941 OE2 GLU A 87 -5.011 2.103 11.217 1.00 2.15 O ATOM 0 H GLU A 87 -1.244 -0.927 8.825 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.924 0.177 10.899 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.027 1.455 8.968 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.955 0.447 7.876 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.101 2.562 8.248 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.055 1.239 8.889 1.00 1.23 H new ATOM 948 N PHE A 88 -3.960 -2.067 8.767 1.00 0.23 N ATOM 949 CA PHE A 88 -4.948 -3.080 8.472 1.00 0.23 C ATOM 950 C PHE A 88 -4.765 -4.311 9.350 1.00 0.25 C ATOM 951 O PHE A 88 -5.464 -5.309 9.185 1.00 0.30 O ATOM 952 CB PHE A 88 -4.811 -3.478 7.017 1.00 0.24 C ATOM 953 CG PHE A 88 -5.673 -2.672 6.100 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.998 -3.007 5.901 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.152 -1.576 5.431 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.786 -2.266 5.052 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.942 -0.830 4.580 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.284 -1.182 4.409 1.00 0.45 C ATOM 0 H PHE A 88 -3.138 -2.108 8.165 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.938 -2.670 8.671 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.770 -3.369 6.714 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.066 -4.532 6.910 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.419 -3.858 6.416 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.117 -1.303 5.577 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.816 -2.550 4.895 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.528 0.016 4.052 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.920 -0.592 3.766 1.00 0.45 H new ATOM 968 N SER A 89 -3.808 -4.230 10.274 1.00 0.27 N ATOM 969 CA SER A 89 -3.461 -5.348 11.145 1.00 0.34 C ATOM 970 C SER A 89 -3.001 -6.557 10.323 1.00 0.36 C ATOM 971 O SER A 89 -3.282 -7.703 10.671 1.00 0.48 O ATOM 972 CB SER A 89 -4.657 -5.714 12.029 1.00 0.45 C ATOM 973 OG SER A 89 -5.153 -4.565 12.700 1.00 1.07 O ATOM 0 H SER A 89 -3.254 -3.389 10.438 1.00 0.27 H new ATOM 0 HA SER A 89 -2.633 -5.046 11.786 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.446 -6.154 11.419 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.360 -6.468 12.758 1.00 0.45 H new ATOM 0 HG SER A 89 -5.918 -4.817 13.259 1.00 1.07 H new ATOM 979 N LEU A 90 -2.262 -6.293 9.246 1.00 0.31 N ATOM 980 CA LEU A 90 -1.798 -7.344 8.344 1.00 0.40 C ATOM 981 C LEU A 90 -0.408 -7.787 8.732 1.00 0.59 C ATOM 982 O LEU A 90 0.328 -8.279 7.880 1.00 1.23 O ATOM 983 CB LEU A 90 -1.711 -6.841 6.902 1.00 0.33 C ATOM 984 CG LEU A 90 -2.821 -5.908 6.457 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.502 -5.370 5.079 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.160 -6.634 6.456 1.00 0.27 C ATOM 0 H LEU A 90 -1.971 -5.353 8.977 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.514 -8.163 8.418 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.758 -6.328 6.774 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.700 -7.704 6.237 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.893 -5.075 7.156 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.298 -4.699 4.757 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.559 -4.825 5.111 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.419 -6.198 4.375 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.945 -5.949 6.134 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.114 -7.481 5.771 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.381 -6.992 7.462 1.00 0.27 H new ATOM 998 N LYS A 91 -0.020 -7.507 9.977 1.00 0.24 N ATOM 999 CA LYS A 91 1.307 -7.859 10.501 1.00 0.39 C ATOM 1000 C LYS A 91 1.614 -9.362 10.438 1.00 0.26 C ATOM 1001 O LYS A 91 1.847 -10.013 11.458 1.00 0.39 O ATOM 1002 CB LYS A 91 1.446 -7.353 11.940 1.00 0.78 C ATOM 1003 CG LYS A 91 1.208 -5.855 12.082 1.00 1.31 C ATOM 1004 CD LYS A 91 1.452 -5.376 13.506 1.00 1.49 C ATOM 1005 CE LYS A 91 0.549 -6.085 14.503 1.00 1.91 C ATOM 1006 NZ LYS A 91 0.780 -5.614 15.895 1.00 2.48 N ATOM 0 H LYS A 91 -0.615 -7.029 10.654 1.00 0.24 H new ATOM 0 HA LYS A 91 2.037 -7.371 9.855 1.00 0.39 H new ATOM 0 HB2 LYS A 91 0.739 -7.887 12.575 1.00 0.78 H new ATOM 0 HB3 LYS A 91 2.445 -7.591 12.306 1.00 0.78 H new ATOM 0 HG2 LYS A 91 1.866 -5.316 11.400 1.00 1.31 H new ATOM 0 HG3 LYS A 91 0.184 -5.620 11.790 1.00 1.31 H new ATOM 0 HD2 LYS A 91 2.495 -5.548 13.774 1.00 1.49 H new ATOM 0 HD3 LYS A 91 1.282 -4.301 13.562 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -0.493 -5.917 14.232 1.00 1.91 H new ATOM 0 HE3 LYS A 91 0.723 -7.160 14.450 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 0.145 -6.122 16.543 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 1.768 -5.797 16.164 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 0.589 -4.593 15.952 1.00 2.48 H new ATOM 1020 N GLY A 92 1.610 -9.888 9.230 1.00 0.26 N ATOM 1021 CA GLY A 92 2.082 -11.212 8.936 1.00 0.31 C ATOM 1022 C GLY A 92 2.672 -11.201 7.542 1.00 0.31 C ATOM 1023 O GLY A 92 2.621 -12.188 6.809 1.00 0.47 O ATOM 0 H GLY A 92 1.268 -9.388 8.409 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.832 -11.519 9.665 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.264 -11.930 8.998 1.00 0.31 H new ATOM 1027 N VAL A 93 3.208 -10.034 7.184 1.00 0.21 N ATOM 1028 CA VAL A 93 3.836 -9.808 5.901 1.00 0.21 C ATOM 1029 C VAL A 93 5.228 -10.402 5.922 1.00 0.20 C ATOM 1030 O VAL A 93 5.935 -10.300 6.925 1.00 0.22 O ATOM 1031 CB VAL A 93 3.882 -8.288 5.588 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.297 -7.774 5.363 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.021 -7.987 4.384 1.00 0.23 C ATOM 0 H VAL A 93 3.214 -9.214 7.791 1.00 0.21 H new ATOM 0 HA VAL A 93 3.257 -10.292 5.115 1.00 0.21 H new ATOM 0 HB VAL A 93 3.493 -7.767 6.463 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.266 -6.706 5.148 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.894 -7.947 6.259 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.746 -8.301 4.521 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.057 -6.919 4.169 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.392 -8.543 3.523 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.992 -8.281 4.590 1.00 0.23 H new ATOM 1043 N ASP A 94 5.618 -11.055 4.845 1.00 0.21 N ATOM 1044 CA ASP A 94 6.951 -11.595 4.774 1.00 0.24 C ATOM 1045 C ASP A 94 7.876 -10.491 4.319 1.00 0.21 C ATOM 1046 O ASP A 94 7.982 -10.210 3.126 1.00 0.20 O ATOM 1047 CB ASP A 94 7.030 -12.785 3.824 1.00 0.32 C ATOM 1048 CG ASP A 94 8.325 -13.547 4.000 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.330 -13.165 3.363 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.344 -14.536 4.756 1.00 1.10 O ATOM 0 H ASP A 94 5.038 -11.220 4.022 1.00 0.21 H new ATOM 0 HA ASP A 94 7.245 -11.961 5.758 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.187 -13.452 4.003 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.948 -12.437 2.794 1.00 0.32 H new ATOM 1055 N PHE A 95 8.517 -9.850 5.282 1.00 0.23 N ATOM 1056 CA PHE A 95 9.336 -8.680 5.019 1.00 0.24 C ATOM 1057 C PHE A 95 10.454 -9.008 4.041 1.00 0.23 C ATOM 1058 O PHE A 95 11.001 -8.125 3.378 1.00 0.28 O ATOM 1059 CB PHE A 95 9.936 -8.144 6.321 1.00 0.29 C ATOM 1060 CG PHE A 95 8.923 -7.588 7.278 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.171 -8.434 8.072 1.00 0.41 C ATOM 1062 CD2 PHE A 95 8.719 -6.221 7.382 1.00 0.55 C ATOM 1063 CE1 PHE A 95 7.235 -7.930 8.952 1.00 0.52 C ATOM 1064 CE2 PHE A 95 7.783 -5.710 8.261 1.00 0.66 C ATOM 1065 CZ PHE A 95 7.055 -6.551 9.055 1.00 0.61 C ATOM 0 H PHE A 95 8.484 -10.125 6.264 1.00 0.23 H new ATOM 0 HA PHE A 95 8.696 -7.917 4.577 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.484 -8.947 6.814 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.660 -7.365 6.082 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.318 -9.502 8.003 1.00 0.41 H new ATOM 0 HD2 PHE A 95 9.299 -5.547 6.769 1.00 0.55 H new ATOM 0 HE1 PHE A 95 6.644 -8.601 9.558 1.00 0.52 H new ATOM 0 HE2 PHE A 95 7.626 -4.643 8.321 1.00 0.66 H new ATOM 0 HZ PHE A 95 6.343 -6.149 9.760 1.00 0.61 H new ATOM 1075 N GLN A 96 10.786 -10.284 3.956 1.00 0.21 N ATOM 1076 CA GLN A 96 11.868 -10.727 3.099 1.00 0.24 C ATOM 1077 C GLN A 96 11.388 -10.973 1.682 1.00 0.21 C ATOM 1078 O GLN A 96 12.166 -10.862 0.735 1.00 0.25 O ATOM 1079 CB GLN A 96 12.519 -11.983 3.657 1.00 0.33 C ATOM 1080 CG GLN A 96 13.064 -11.809 5.070 1.00 1.06 C ATOM 1081 CD GLN A 96 13.953 -10.583 5.222 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.662 -10.218 4.163 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 14.015 -9.981 6.295 1.00 1.93 N flip ATOM 0 H GLN A 96 10.321 -11.031 4.471 1.00 0.21 H new ATOM 0 HA GLN A 96 12.610 -9.929 3.072 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.789 -12.793 3.655 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.332 -12.285 2.997 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.230 -11.734 5.768 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.631 -12.698 5.346 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.454 -10.292 7.088 1.00 1.93 H new ATOM 0 HE22 GLN A 96 14.628 -9.171 6.391 1.00 1.93 H new ATOM 1092 N LYS A 97 10.115 -11.310 1.525 1.00 0.18 N ATOM 1093 CA LYS A 97 9.538 -11.390 0.197 1.00 0.19 C ATOM 1094 C LYS A 97 9.322 -9.963 -0.266 1.00 0.17 C ATOM 1095 O LYS A 97 9.362 -9.652 -1.454 1.00 0.20 O ATOM 1096 CB LYS A 97 8.210 -12.166 0.205 1.00 0.23 C ATOM 1097 CG LYS A 97 7.937 -12.960 -1.075 1.00 0.26 C ATOM 1098 CD LYS A 97 7.729 -12.054 -2.281 1.00 0.25 C ATOM 1099 CE LYS A 97 7.477 -12.842 -3.560 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.580 -13.792 -3.867 1.00 1.43 N ATOM 0 H LYS A 97 9.474 -11.528 2.288 1.00 0.18 H new ATOM 0 HA LYS A 97 10.204 -11.929 -0.477 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.209 -12.852 1.052 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.393 -11.463 0.364 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.772 -13.633 -1.268 1.00 0.26 H new ATOM 0 HG3 LYS A 97 7.053 -13.582 -0.933 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.884 -11.391 -2.093 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.607 -11.422 -2.413 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.542 -13.394 -3.465 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.356 -12.149 -4.393 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.468 -14.153 -4.836 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.493 -13.302 -3.784 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.551 -14.586 -3.196 1.00 1.43 H new ATOM 1114 N PHE A 98 9.164 -9.090 0.722 1.00 0.16 N ATOM 1115 CA PHE A 98 8.993 -7.669 0.506 1.00 0.16 C ATOM 1116 C PHE A 98 10.346 -6.981 0.359 1.00 0.20 C ATOM 1117 O PHE A 98 10.491 -5.790 0.650 1.00 0.22 O ATOM 1118 CB PHE A 98 8.216 -7.060 1.668 1.00 0.15 C ATOM 1119 CG PHE A 98 6.740 -7.117 1.463 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.101 -6.093 0.797 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.990 -8.184 1.926 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.747 -6.123 0.592 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.631 -8.221 1.720 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.007 -7.189 1.052 1.00 0.12 C ATOM 0 H PHE A 98 9.152 -9.358 1.706 1.00 0.16 H new ATOM 0 HA PHE A 98 8.432 -7.521 -0.417 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.472 -7.587 2.587 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.521 -6.022 1.800 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.676 -5.255 0.432 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.475 -8.993 2.452 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.261 -5.312 0.070 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.053 -9.058 2.081 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.940 -7.217 0.890 1.00 0.12 H new ATOM 1134 N CYS A 99 11.338 -7.743 -0.075 1.00 0.26 N ATOM 1135 CA CYS A 99 12.669 -7.219 -0.298 1.00 0.31 C ATOM 1136 C CYS A 99 12.718 -6.419 -1.589 1.00 0.23 C ATOM 1137 O CYS A 99 13.148 -6.921 -2.629 1.00 0.27 O ATOM 1138 CB CYS A 99 13.661 -8.368 -0.394 1.00 0.45 C ATOM 1139 SG CYS A 99 15.395 -7.859 -0.361 1.00 1.20 S ATOM 0 H CYS A 99 11.240 -8.737 -0.281 1.00 0.26 H new ATOM 0 HA CYS A 99 12.928 -6.568 0.537 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.481 -9.058 0.431 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.474 -8.918 -1.316 1.00 0.45 H new ATOM 0 HG CYS A 99 16.157 -8.909 -0.446 1.00 1.20 H new ATOM 1145 N MET A 100 12.257 -5.189 -1.533 1.00 0.19 N ATOM 1146 CA MET A 100 12.381 -4.300 -2.663 1.00 0.16 C ATOM 1147 C MET A 100 13.114 -3.041 -2.287 1.00 0.17 C ATOM 1148 O MET A 100 12.830 -2.418 -1.269 1.00 0.20 O ATOM 1149 CB MET A 100 11.020 -3.898 -3.242 1.00 0.22 C ATOM 1150 CG MET A 100 10.319 -4.985 -4.030 1.00 0.22 C ATOM 1151 SD MET A 100 9.486 -6.177 -2.969 1.00 0.13 S ATOM 1152 CE MET A 100 8.331 -5.115 -2.103 1.00 0.18 C ATOM 0 H MET A 100 11.795 -4.784 -0.719 1.00 0.19 H new ATOM 0 HA MET A 100 12.940 -4.855 -3.416 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.371 -3.586 -2.424 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.158 -3.031 -3.889 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.591 -4.530 -4.702 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.047 -5.504 -4.653 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.613 -5.052 -1.052 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.351 -4.119 -2.545 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.326 -5.528 -2.185 1.00 0.18 H new ATOM 1162 N SER A 101 14.070 -2.691 -3.110 1.00 0.16 N ATOM 1163 CA SER A 101 14.511 -1.326 -3.182 1.00 0.18 C ATOM 1164 C SER A 101 13.425 -0.609 -3.966 1.00 0.14 C ATOM 1165 O SER A 101 12.718 -1.263 -4.705 1.00 0.15 O ATOM 1166 CB SER A 101 15.865 -1.236 -3.885 1.00 0.24 C ATOM 1167 OG SER A 101 16.817 -2.086 -3.262 1.00 1.26 O ATOM 0 H SER A 101 14.555 -3.332 -3.737 1.00 0.16 H new ATOM 0 HA SER A 101 14.655 -0.880 -2.198 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.754 -1.514 -4.933 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.222 -0.206 -3.864 1.00 0.24 H new ATOM 0 HG SER A 101 17.675 -2.014 -3.729 1.00 1.26 H new ATOM 1173 N GLY A 102 13.245 0.678 -3.787 1.00 0.13 N ATOM 1174 CA GLY A 102 12.127 1.357 -4.418 1.00 0.14 C ATOM 1175 C GLY A 102 12.027 1.107 -5.914 1.00 0.14 C ATOM 1176 O GLY A 102 10.937 0.862 -6.432 1.00 0.16 O ATOM 0 H GLY A 102 13.847 1.274 -3.218 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.201 1.034 -3.942 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.218 2.429 -4.243 1.00 0.14 H new ATOM 1180 N ALA A 103 13.152 1.160 -6.617 1.00 0.17 N ATOM 1181 CA ALA A 103 13.159 0.849 -8.040 1.00 0.21 C ATOM 1182 C ALA A 103 12.598 -0.548 -8.275 1.00 0.21 C ATOM 1183 O ALA A 103 11.857 -0.785 -9.228 1.00 0.25 O ATOM 1184 CB ALA A 103 14.568 0.966 -8.601 1.00 0.26 C ATOM 0 H ALA A 103 14.061 1.412 -6.230 1.00 0.17 H new ATOM 0 HA ALA A 103 12.525 1.567 -8.560 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.557 0.731 -9.665 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.933 1.983 -8.458 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.225 0.268 -8.082 1.00 0.26 H new ATOM 1190 N ALA A 104 12.935 -1.456 -7.372 1.00 0.19 N ATOM 1191 CA ALA A 104 12.420 -2.810 -7.405 1.00 0.20 C ATOM 1192 C ALA A 104 10.958 -2.831 -6.986 1.00 0.16 C ATOM 1193 O ALA A 104 10.152 -3.555 -7.574 1.00 0.17 O ATOM 1194 CB ALA A 104 13.243 -3.712 -6.498 1.00 0.22 C ATOM 0 H ALA A 104 13.573 -1.272 -6.598 1.00 0.19 H new ATOM 0 HA ALA A 104 12.494 -3.184 -8.426 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.844 -4.726 -6.534 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.280 -3.718 -6.835 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.196 -3.339 -5.475 1.00 0.22 H new ATOM 1200 N LEU A 105 10.624 -2.058 -5.944 1.00 0.12 N ATOM 1201 CA LEU A 105 9.249 -1.890 -5.492 1.00 0.09 C ATOM 1202 C LEU A 105 8.308 -1.576 -6.634 1.00 0.12 C ATOM 1203 O LEU A 105 7.244 -2.142 -6.747 1.00 0.13 O ATOM 1204 CB LEU A 105 9.159 -0.752 -4.466 1.00 0.09 C ATOM 1205 CG LEU A 105 7.750 -0.527 -3.942 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.286 -1.728 -3.145 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.673 0.723 -3.105 1.00 0.14 C ATOM 0 H LEU A 105 11.305 -1.534 -5.395 1.00 0.12 H new ATOM 0 HA LEU A 105 8.950 -2.837 -5.042 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.820 -0.974 -3.628 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.521 0.169 -4.922 1.00 0.09 H new ATOM 0 HG LEU A 105 7.088 -0.398 -4.799 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.275 -1.552 -2.776 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.291 -2.612 -3.783 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.958 -1.886 -2.301 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.653 0.857 -2.744 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.350 0.634 -2.255 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.960 1.584 -3.709 1.00 0.14 H new ATOM 1219 N CYS A 106 8.673 -0.604 -7.406 1.00 0.21 N ATOM 1220 CA CYS A 106 7.937 -0.268 -8.602 1.00 0.31 C ATOM 1221 C CYS A 106 8.006 -1.390 -9.642 1.00 0.34 C ATOM 1222 O CYS A 106 6.977 -1.816 -10.172 1.00 0.40 O ATOM 1223 CB CYS A 106 8.499 1.023 -9.171 1.00 0.39 C ATOM 1224 SG CYS A 106 7.726 1.557 -10.718 1.00 0.74 S ATOM 0 H CYS A 106 9.488 -0.015 -7.234 1.00 0.21 H new ATOM 0 HA CYS A 106 6.886 -0.137 -8.346 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.383 1.813 -8.429 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.569 0.897 -9.338 1.00 0.39 H new ATOM 0 HG CYS A 106 7.084 0.559 -11.249 1.00 0.74 H new ATOM 1230 N ALA A 107 9.222 -1.858 -9.925 1.00 0.33 N ATOM 1231 CA ALA A 107 9.469 -2.851 -10.972 1.00 0.41 C ATOM 1232 C ALA A 107 8.611 -4.113 -10.867 1.00 0.38 C ATOM 1233 O ALA A 107 8.336 -4.744 -11.887 1.00 0.46 O ATOM 1234 CB ALA A 107 10.939 -3.235 -10.983 1.00 0.47 C ATOM 0 H ALA A 107 10.065 -1.559 -9.434 1.00 0.33 H new ATOM 0 HA ALA A 107 9.183 -2.370 -11.907 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.116 -3.974 -11.764 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.545 -2.350 -11.177 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.212 -3.657 -10.016 1.00 0.47 H new ATOM 1240 N LEU A 108 8.205 -4.508 -9.661 1.00 0.29 N ATOM 1241 CA LEU A 108 7.421 -5.735 -9.512 1.00 0.26 C ATOM 1242 C LEU A 108 6.114 -5.680 -10.304 1.00 0.26 C ATOM 1243 O LEU A 108 5.749 -6.645 -10.973 1.00 0.28 O ATOM 1244 CB LEU A 108 7.152 -6.085 -8.030 1.00 0.21 C ATOM 1245 CG LEU A 108 6.893 -4.920 -7.065 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.531 -4.252 -7.304 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.015 -5.415 -5.632 1.00 0.19 C ATOM 0 H LEU A 108 8.399 -4.011 -8.792 1.00 0.29 H new ATOM 0 HA LEU A 108 8.030 -6.536 -9.931 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.290 -6.751 -7.992 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.007 -6.648 -7.656 1.00 0.21 H new ATOM 0 HG LEU A 108 7.646 -4.154 -7.251 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.397 -3.435 -6.595 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.491 -3.861 -8.321 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.737 -4.986 -7.166 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.831 -4.589 -4.945 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.283 -6.203 -5.456 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.018 -5.808 -5.467 1.00 0.19 H new ATOM 1259 N GLY A 109 5.439 -4.543 -10.274 1.00 0.27 N ATOM 1260 CA GLY A 109 4.139 -4.447 -10.901 1.00 0.32 C ATOM 1261 C GLY A 109 3.052 -5.048 -10.029 1.00 0.27 C ATOM 1262 O GLY A 109 3.346 -5.825 -9.115 1.00 0.23 O ATOM 0 H GLY A 109 5.767 -3.686 -9.828 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.908 -3.401 -11.102 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.160 -4.960 -11.863 1.00 0.32 H new ATOM 1266 N LYS A 110 1.804 -4.674 -10.295 1.00 0.33 N ATOM 1267 CA LYS A 110 0.661 -5.170 -9.530 1.00 0.36 C ATOM 1268 C LYS A 110 0.719 -6.693 -9.353 1.00 0.26 C ATOM 1269 O LYS A 110 0.694 -7.183 -8.227 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.663 -4.720 -10.202 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.588 -5.850 -10.657 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.393 -6.439 -9.516 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.583 -7.950 -9.684 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.359 -8.284 -10.906 1.00 0.67 N ATOM 0 H LYS A 110 1.556 -4.024 -11.041 1.00 0.33 H new ATOM 0 HA LYS A 110 0.701 -4.738 -8.530 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.208 -4.087 -9.502 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.420 -4.103 -11.067 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.269 -5.472 -11.420 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -0.993 -6.637 -11.121 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.888 -6.238 -8.571 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.367 -5.952 -9.467 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.608 -8.434 -9.731 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.096 -8.350 -8.809 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.507 -9.312 -10.953 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.280 -7.803 -10.875 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.834 -7.971 -11.747 1.00 0.67 H new ATOM 1288 N GLU A 111 0.816 -7.432 -10.455 1.00 0.25 N ATOM 1289 CA GLU A 111 0.691 -8.886 -10.415 1.00 0.31 C ATOM 1290 C GLU A 111 1.732 -9.514 -9.502 1.00 0.27 C ATOM 1291 O GLU A 111 1.431 -10.445 -8.754 1.00 0.39 O ATOM 1292 CB GLU A 111 0.798 -9.467 -11.823 1.00 0.48 C ATOM 1293 CG GLU A 111 0.338 -10.911 -11.920 1.00 1.39 C ATOM 1294 CD GLU A 111 0.283 -11.407 -13.345 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -0.542 -10.894 -14.126 1.00 2.54 O ATOM 1296 OE2 GLU A 111 1.074 -12.306 -13.693 1.00 2.46 O ATOM 0 H GLU A 111 0.981 -7.048 -11.386 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.292 -9.123 -10.007 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.204 -8.858 -12.505 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.833 -9.401 -12.157 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.014 -11.543 -11.345 1.00 1.39 H new ATOM 0 HG3 GLU A 111 -0.649 -11.005 -11.468 1.00 1.39 H new ATOM 1303 N CYS A 112 2.940 -8.983 -9.543 1.00 0.21 N ATOM 1304 CA CYS A 112 4.019 -9.517 -8.739 1.00 0.18 C ATOM 1305 C CYS A 112 3.819 -9.133 -7.283 1.00 0.15 C ATOM 1306 O CYS A 112 3.885 -9.985 -6.409 1.00 0.17 O ATOM 1307 CB CYS A 112 5.376 -9.030 -9.244 1.00 0.21 C ATOM 1308 SG CYS A 112 6.785 -9.835 -8.452 1.00 1.36 S ATOM 0 H CYS A 112 3.196 -8.184 -10.123 1.00 0.21 H new ATOM 0 HA CYS A 112 4.006 -10.604 -8.823 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.433 -9.196 -10.320 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.447 -7.954 -9.083 1.00 0.21 H new ATOM 0 HG CYS A 112 7.890 -9.360 -8.945 1.00 1.36 H new ATOM 1314 N PHE A 113 3.559 -7.852 -7.028 1.00 0.13 N ATOM 1315 CA PHE A 113 3.321 -7.374 -5.669 1.00 0.12 C ATOM 1316 C PHE A 113 2.211 -8.171 -4.976 1.00 0.13 C ATOM 1317 O PHE A 113 2.323 -8.522 -3.801 1.00 0.14 O ATOM 1318 CB PHE A 113 2.964 -5.876 -5.674 1.00 0.12 C ATOM 1319 CG PHE A 113 3.251 -5.206 -4.360 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.499 -5.520 -3.246 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.301 -4.301 -4.219 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.772 -4.953 -2.025 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.582 -3.740 -2.993 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.816 -4.067 -1.896 1.00 0.10 C ATOM 0 H PHE A 113 3.508 -7.128 -7.744 1.00 0.13 H new ATOM 0 HA PHE A 113 4.244 -7.520 -5.108 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.526 -5.376 -6.462 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.907 -5.760 -5.913 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.683 -6.222 -3.336 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.900 -4.037 -5.078 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.167 -5.203 -1.166 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.402 -3.044 -2.892 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.035 -3.627 -0.934 1.00 0.10 H new ATOM 1334 N LEU A 114 1.135 -8.454 -5.681 1.00 0.14 N ATOM 1335 CA LEU A 114 0.023 -9.154 -5.053 1.00 0.17 C ATOM 1336 C LEU A 114 0.331 -10.637 -4.942 1.00 0.22 C ATOM 1337 O LEU A 114 -0.285 -11.352 -4.161 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.295 -8.947 -5.787 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.529 -7.558 -6.385 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.010 -7.287 -6.491 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.867 -6.449 -5.594 1.00 0.50 C ATOM 0 H LEU A 114 1.003 -8.219 -6.665 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.097 -8.727 -4.057 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.357 -9.680 -6.591 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.109 -9.163 -5.095 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.070 -7.563 -7.374 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.169 -6.297 -6.917 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.472 -8.037 -7.133 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.460 -7.331 -5.499 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.071 -5.490 -6.071 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.262 -6.441 -4.578 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.210 -6.617 -5.563 1.00 0.50 H new ATOM 1353 N GLU A 115 1.268 -11.099 -5.753 1.00 0.22 N ATOM 1354 CA GLU A 115 1.808 -12.436 -5.591 1.00 0.28 C ATOM 1355 C GLU A 115 2.864 -12.431 -4.494 1.00 0.27 C ATOM 1356 O GLU A 115 3.316 -13.474 -4.020 1.00 0.37 O ATOM 1357 CB GLU A 115 2.435 -12.936 -6.888 1.00 0.37 C ATOM 1358 CG GLU A 115 1.423 -13.448 -7.890 1.00 0.48 C ATOM 1359 CD GLU A 115 0.600 -14.581 -7.329 1.00 1.33 C ATOM 1360 OE1 GLU A 115 1.176 -15.651 -7.037 1.00 1.81 O ATOM 1361 OE2 GLU A 115 -0.627 -14.408 -7.178 1.00 2.21 O ATOM 0 H GLU A 115 1.669 -10.569 -6.527 1.00 0.22 H new ATOM 0 HA GLU A 115 0.989 -13.103 -5.321 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.006 -12.126 -7.342 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.141 -13.734 -6.657 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.763 -12.633 -8.188 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.940 -13.785 -8.788 1.00 0.48 H new ATOM 1368 N LEU A 116 3.237 -11.227 -4.108 1.00 0.20 N ATOM 1369 CA LEU A 116 4.318 -10.988 -3.177 1.00 0.19 C ATOM 1370 C LEU A 116 3.794 -10.901 -1.738 1.00 0.22 C ATOM 1371 O LEU A 116 4.525 -11.159 -0.781 1.00 0.26 O ATOM 1372 CB LEU A 116 5.044 -9.715 -3.635 1.00 0.15 C ATOM 1373 CG LEU A 116 5.716 -8.874 -2.563 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.039 -8.345 -3.074 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.818 -7.724 -2.170 1.00 0.16 C ATOM 0 H LEU A 116 2.788 -10.373 -4.439 1.00 0.20 H new ATOM 0 HA LEU A 116 5.026 -11.816 -3.173 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.802 -10.002 -4.363 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.324 -9.085 -4.156 1.00 0.15 H new ATOM 0 HG LEU A 116 5.898 -9.497 -1.687 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.514 -7.743 -2.299 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.689 -9.181 -3.334 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.868 -7.730 -3.957 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.308 -7.126 -1.401 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.621 -7.101 -3.043 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.877 -8.113 -1.782 1.00 0.16 H new ATOM 1387 N ALA A 117 2.520 -10.556 -1.604 1.00 0.21 N ATOM 1388 CA ALA A 117 1.833 -10.583 -0.313 1.00 0.22 C ATOM 1389 C ALA A 117 0.502 -11.311 -0.468 1.00 0.23 C ATOM 1390 O ALA A 117 0.198 -11.783 -1.556 1.00 0.26 O ATOM 1391 CB ALA A 117 1.611 -9.164 0.210 1.00 0.22 C ATOM 0 H ALA A 117 1.934 -10.251 -2.381 1.00 0.21 H new ATOM 0 HA ALA A 117 2.452 -11.113 0.411 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.099 -9.206 1.171 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.573 -8.667 0.333 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.003 -8.605 -0.501 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.294 -11.464 0.606 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.688 -11.880 0.467 1.00 0.25 C ATOM 1399 C PRO A 118 -2.402 -11.012 -0.568 1.00 0.22 C ATOM 1400 O PRO A 118 -2.181 -9.806 -0.621 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.263 -11.635 1.859 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.103 -11.786 2.782 1.00 0.32 C ATOM 1403 CD PRO A 118 0.101 -11.300 2.021 1.00 0.29 C ATOM 0 HA PRO A 118 -1.800 -12.911 0.131 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.703 -10.641 1.936 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.051 -12.351 2.093 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.250 -11.204 3.692 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.979 -12.826 3.085 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.331 -10.261 2.255 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.989 -11.885 2.260 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.232 -11.638 -1.390 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.872 -10.976 -2.538 1.00 0.32 C ATOM 1413 C ASP A 119 -4.612 -9.686 -2.174 1.00 0.31 C ATOM 1414 O ASP A 119 -4.802 -8.830 -3.035 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.829 -11.935 -3.256 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.073 -12.262 -2.447 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.004 -13.152 -1.573 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.131 -11.649 -2.697 1.00 1.26 O ATOM 0 H ASP A 119 -3.487 -12.620 -1.287 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.057 -10.694 -3.204 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.128 -11.494 -4.207 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.300 -12.860 -3.486 1.00 0.41 H new ATOM 1423 N PHE A 120 -5.020 -9.525 -0.916 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.693 -8.302 -0.498 1.00 0.32 C ATOM 1425 C PHE A 120 -4.653 -7.299 -0.040 1.00 0.22 C ATOM 1426 O PHE A 120 -4.741 -6.110 -0.314 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.710 -8.583 0.616 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.500 -7.379 1.055 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.889 -6.403 0.146 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.865 -7.232 2.384 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.619 -5.305 0.560 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.594 -6.135 2.801 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.971 -5.172 1.889 1.00 1.86 C ATOM 0 H PHE A 120 -4.897 -10.219 -0.178 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.246 -7.891 -1.343 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.403 -9.352 0.273 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.183 -8.991 1.478 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.618 -6.503 -0.895 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.576 -7.985 3.103 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.914 -4.551 -0.155 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.868 -6.032 3.840 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.541 -4.314 2.214 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.639 -7.818 0.618 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.596 -7.018 1.214 1.00 0.17 C ATOM 1445 C VAL A 121 -1.647 -6.488 0.165 1.00 0.15 C ATOM 1446 O VAL A 121 -1.208 -5.341 0.242 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.833 -7.861 2.229 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.704 -7.070 2.861 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.817 -8.365 3.260 1.00 0.22 C ATOM 0 H VAL A 121 -3.516 -8.821 0.755 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.055 -6.164 1.712 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.366 -8.712 1.732 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.178 -7.698 3.580 1.00 0.19 H new ATOM 0 HG12 VAL A 121 -0.009 -6.745 2.086 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.112 -6.197 3.371 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.292 -8.972 3.998 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.289 -7.518 3.757 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.580 -8.969 2.770 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.326 -7.328 -0.806 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.530 -6.889 -1.918 1.00 0.19 C ATOM 1461 C GLY A 122 -1.167 -5.710 -2.602 1.00 0.16 C ATOM 1462 O GLY A 122 -0.492 -4.746 -2.900 1.00 0.14 O ATOM 0 H GLY A 122 -1.606 -8.308 -0.838 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.468 -6.618 -1.572 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.410 -7.706 -2.629 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.479 -5.779 -2.827 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.203 -4.703 -3.499 1.00 0.19 C ATOM 1468 C ASP A 123 -3.418 -3.536 -2.549 1.00 0.13 C ATOM 1469 O ASP A 123 -3.409 -2.390 -2.966 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.539 -5.206 -4.053 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.391 -4.097 -4.650 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.050 -3.604 -5.741 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.380 -3.684 -4.007 1.00 1.07 O ATOM 0 H ASP A 123 -3.062 -6.570 -2.553 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.601 -4.357 -4.339 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.348 -5.961 -4.816 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.096 -5.694 -3.254 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.635 -3.838 -1.274 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.632 -2.814 -0.235 1.00 0.10 C ATOM 1480 C ILE A 124 -2.349 -1.994 -0.298 1.00 0.09 C ATOM 1481 O ILE A 124 -2.377 -0.774 -0.484 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.807 -3.442 1.169 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.293 -3.658 1.457 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.181 -2.569 2.254 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.553 -4.410 2.744 1.00 0.22 C ATOM 0 H ILE A 124 -3.815 -4.783 -0.935 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.478 -2.151 -0.414 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.292 -4.402 1.178 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.791 -2.689 1.504 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.740 -4.206 0.628 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.322 -3.040 3.227 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.115 -2.454 2.058 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.658 -1.589 2.253 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.627 -4.528 2.886 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.084 -5.393 2.692 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.135 -3.852 3.582 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.229 -2.669 -0.157 1.00 0.08 N ATOM 1498 CA LEU A 125 0.053 -2.035 -0.289 1.00 0.08 C ATOM 1499 C LEU A 125 0.244 -1.466 -1.680 1.00 0.09 C ATOM 1500 O LEU A 125 0.721 -0.354 -1.827 1.00 0.10 O ATOM 1501 CB LEU A 125 1.148 -3.026 0.059 1.00 0.08 C ATOM 1502 CG LEU A 125 1.542 -2.992 1.520 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.460 -4.147 1.858 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.206 -1.662 1.827 1.00 0.09 C ATOM 0 H LEU A 125 -1.187 -3.667 0.051 1.00 0.08 H new ATOM 0 HA LEU A 125 0.105 -1.197 0.406 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.814 -4.031 -0.197 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.026 -2.817 -0.552 1.00 0.08 H new ATOM 0 HG LEU A 125 0.648 -3.095 2.135 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.729 -4.101 2.913 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.950 -5.089 1.654 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.363 -4.084 1.250 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.492 -1.632 2.878 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.094 -1.547 1.206 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.509 -0.850 1.617 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.172 -2.209 -2.691 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.048 -1.757 -4.067 1.00 0.10 C ATOM 1518 C TRP A 126 -0.828 -0.462 -4.281 1.00 0.11 C ATOM 1519 O TRP A 126 -0.373 0.421 -5.003 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.516 -2.831 -5.058 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.569 -2.322 -6.457 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.688 -2.018 -7.165 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.544 -2.026 -7.306 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.343 -1.510 -8.396 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.026 -1.517 -8.509 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.928 -2.134 -7.161 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.849 -1.115 -9.559 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.741 -1.740 -8.206 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.198 -1.233 -9.390 1.00 0.25 C ATOM 0 H TRP A 126 -0.599 -3.129 -2.585 1.00 0.09 H new ATOM 0 HA TRP A 126 1.009 -1.566 -4.255 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.158 -3.686 -5.010 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.504 -3.187 -4.765 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.700 -2.155 -6.813 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -1.996 -1.182 -9.108 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.356 -2.519 -6.247 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.433 -0.723 -10.476 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.813 -1.825 -8.107 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.860 -0.928 -10.187 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.997 -0.349 -3.654 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.756 0.888 -3.701 1.00 0.12 C ATOM 1542 C GLU A 127 -1.925 2.023 -3.172 1.00 0.12 C ATOM 1543 O GLU A 127 -1.698 2.987 -3.873 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.056 0.802 -2.909 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.284 0.665 -3.786 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.418 1.774 -4.808 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -6.052 2.803 -4.493 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -4.912 1.604 -5.936 1.00 0.84 O ATOM 0 H GLU A 127 -2.433 -1.096 -3.113 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.014 1.065 -4.745 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.005 -0.050 -2.232 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.157 1.694 -2.291 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.247 -0.294 -4.303 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.173 0.653 -3.155 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.458 1.917 -1.936 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.623 2.977 -1.389 1.00 0.11 C ATOM 1557 C HIS A 128 0.627 3.139 -2.223 1.00 0.10 C ATOM 1558 O HIS A 128 1.084 4.253 -2.396 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.248 2.745 0.078 1.00 0.11 C ATOM 1560 CG HIS A 128 0.229 3.999 0.764 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.657 4.030 2.074 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.319 5.277 0.313 1.00 0.14 C ATOM 1563 CE1 HIS A 128 0.983 5.271 2.401 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.790 6.047 1.351 1.00 0.15 N ATOM 0 H HIS A 128 -1.636 1.133 -1.309 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.214 3.892 -1.425 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.113 2.351 0.611 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.533 1.987 0.133 1.00 0.11 H new ATOM 0 HD2 HIS A 128 0.067 5.625 -0.678 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.346 5.594 3.365 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.962 7.052 1.315 1.00 0.15 H new ATOM 1573 N LEU A 129 1.165 2.045 -2.750 1.00 0.10 N ATOM 1574 CA LEU A 129 2.291 2.109 -3.662 1.00 0.12 C ATOM 1575 C LEU A 129 1.945 3.043 -4.781 1.00 0.15 C ATOM 1576 O LEU A 129 2.678 3.987 -5.086 1.00 0.18 O ATOM 1577 CB LEU A 129 2.609 0.708 -4.210 1.00 0.11 C ATOM 1578 CG LEU A 129 3.731 0.626 -5.245 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.797 1.650 -4.942 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.348 -0.757 -5.239 1.00 0.13 C ATOM 0 H LEU A 129 0.834 1.100 -2.557 1.00 0.10 H new ATOM 0 HA LEU A 129 3.174 2.475 -3.138 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.869 0.063 -3.371 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.702 0.300 -4.656 1.00 0.11 H new ATOM 0 HG LEU A 129 3.307 0.828 -6.229 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.590 1.581 -5.687 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.360 2.648 -4.968 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.212 1.461 -3.952 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.146 -0.803 -5.980 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.758 -0.968 -4.251 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.585 -1.497 -5.481 1.00 0.13 H new ATOM 1592 N GLU A 130 0.797 2.797 -5.354 1.00 0.17 N ATOM 1593 CA GLU A 130 0.298 3.623 -6.395 1.00 0.23 C ATOM 1594 C GLU A 130 0.059 5.033 -5.871 1.00 0.25 C ATOM 1595 O GLU A 130 0.541 5.995 -6.441 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.979 3.008 -6.983 1.00 0.27 C ATOM 1597 CG GLU A 130 -0.710 2.003 -8.085 1.00 0.69 C ATOM 1598 CD GLU A 130 -0.030 2.637 -9.275 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -0.678 3.435 -9.983 1.00 1.73 O ATOM 1600 OE2 GLU A 130 1.156 2.320 -9.516 1.00 1.80 O ATOM 0 H GLU A 130 0.190 2.016 -5.105 1.00 0.17 H new ATOM 0 HA GLU A 130 1.034 3.689 -7.196 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.539 2.520 -6.185 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.611 3.805 -7.375 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -0.086 1.198 -7.697 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -1.650 1.552 -8.402 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.641 5.123 -4.751 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.998 6.393 -4.116 1.00 0.21 C ATOM 1609 C ILE A 131 0.224 7.292 -3.875 1.00 0.22 C ATOM 1610 O ILE A 131 0.139 8.503 -4.057 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.746 6.125 -2.788 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.263 6.018 -3.011 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.470 7.212 -1.762 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.689 5.109 -4.144 1.00 0.23 C ATOM 0 H ILE A 131 -0.985 4.306 -4.246 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.654 6.930 -4.801 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.372 5.175 -2.407 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.725 5.663 -2.090 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.657 7.016 -3.201 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.012 6.990 -0.842 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.401 7.252 -1.553 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.799 8.174 -2.154 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.777 5.104 -4.217 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.264 5.471 -5.080 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.333 4.097 -3.952 1.00 0.23 H new ATOM 1626 N LEU A 132 1.350 6.698 -3.468 1.00 0.18 N ATOM 1627 CA LEU A 132 2.600 7.450 -3.296 1.00 0.20 C ATOM 1628 C LEU A 132 2.927 8.169 -4.588 1.00 0.25 C ATOM 1629 O LEU A 132 3.401 9.304 -4.600 1.00 0.29 O ATOM 1630 CB LEU A 132 3.772 6.527 -2.964 1.00 0.21 C ATOM 1631 CG LEU A 132 3.500 5.460 -1.916 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.392 4.259 -2.170 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.731 5.987 -0.500 1.00 0.25 C ATOM 0 H LEU A 132 1.423 5.704 -3.252 1.00 0.18 H new ATOM 0 HA LEU A 132 2.456 8.150 -2.473 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.093 6.034 -3.882 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.607 7.140 -2.623 1.00 0.21 H new ATOM 0 HG LEU A 132 2.453 5.169 -1.995 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.196 3.495 -1.418 1.00 0.23 H new ATOM 0 HD12 LEU A 132 4.185 3.855 -3.161 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.437 4.564 -2.114 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.526 5.195 0.221 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.766 6.313 -0.397 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.065 6.830 -0.312 1.00 0.25 H new ATOM 1645 N GLN A 133 2.634 7.480 -5.675 1.00 0.28 N ATOM 1646 CA GLN A 133 2.871 7.992 -7.000 1.00 0.38 C ATOM 1647 C GLN A 133 1.795 9.006 -7.355 1.00 0.37 C ATOM 1648 O GLN A 133 2.065 9.990 -8.034 1.00 0.47 O ATOM 1649 CB GLN A 133 2.897 6.847 -8.017 1.00 0.58 C ATOM 1650 CG GLN A 133 4.020 5.851 -7.776 1.00 0.79 C ATOM 1651 CD GLN A 133 3.757 4.512 -8.430 1.00 0.65 C ATOM 1652 OE1 GLN A 133 4.115 4.286 -9.581 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.152 3.611 -7.678 1.00 0.31 N ATOM 0 H GLN A 133 2.224 6.546 -5.657 1.00 0.28 H new ATOM 0 HA GLN A 133 3.842 8.487 -7.026 1.00 0.38 H new ATOM 0 HB2 GLN A 133 1.942 6.322 -7.986 1.00 0.58 H new ATOM 0 HB3 GLN A 133 2.999 7.263 -9.019 1.00 0.58 H new ATOM 0 HG2 GLN A 133 4.954 6.262 -8.159 1.00 0.79 H new ATOM 0 HG3 GLN A 133 4.151 5.708 -6.703 1.00 0.79 H new ATOM 0 HE21 GLN A 133 2.873 3.846 -6.726 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.964 2.680 -8.050 1.00 0.31 H new