USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 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 57 THR OG1 : rot 89:sc= 1.07 USER MOD Set 1.2: A 128 HIS : no HD1:sc= -4.12 K(o=-3,f=-6.6!) USER MOD Set 2.1: A 96 GLN :FLIP amide:sc= -0.21 F(o=-2.2,f=-1.1) USER MOD Set 2.2: A 99 CYS SG : rot 29:sc= -0.911 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.17 USER MOD Set 3.2: A 76 HIS :FLIP no HD1:sc= -1.42 F(o=-2.1!,f=-1.2) USER MOD Single : A 44 MET CE :methyl 152:sc= -0.143 (180deg=-1.18) USER MOD Single : A 45 MET CE :methyl -169:sc= -10! (180deg=-10.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc=-0.000617 K(o=-0.00062,f=-0.9) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.24) USER MOD Single : A 52 THR OG1 : rot -30:sc= 0.114 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 58 LYS NZ :NH3+ -129:sc= -0.791 (180deg=-3.65!) USER MOD Single : A 60 GLN : amide:sc= -4.69! C(o=-4.7!,f=-5.5!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.146 F(o=-1.1,f=-0.15) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -9.14! C(o=-9.1!,f=-9.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -161:sc= -0.198 (180deg=-0.841) USER MOD Single : A 86 ASN : amide:sc= -1.5! X(o=-1.5!,f=-1.3) 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 97 LYS NZ :NH3+ -162:sc= -0.137 (180deg=-0.499) USER MOD Single : A 100 MET CE :methyl 130:sc= -0.746 (180deg=-2.18!) USER MOD Single : A 101 SER OG : rot 5:sc= 1.25 USER MOD Single : A 106 CYS SG : rot -160:sc= -1.75! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0.577 K(o=0.58,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.548 -1.752 2.367 1.00 0.41 N ATOM 224 CA MET A 44 -12.883 -1.527 3.641 1.00 0.41 C ATOM 225 C MET A 44 -11.601 -0.736 3.424 1.00 0.31 C ATOM 226 O MET A 44 -11.364 0.250 4.102 1.00 0.28 O ATOM 227 CB MET A 44 -12.567 -2.846 4.356 1.00 0.50 C ATOM 228 CG MET A 44 -13.793 -3.693 4.679 1.00 0.82 C ATOM 229 SD MET A 44 -15.149 -2.755 5.418 1.00 1.59 S ATOM 230 CE MET A 44 -16.253 -2.572 4.012 1.00 1.62 C ATOM 0 HA MET A 44 -13.562 -0.958 4.275 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.890 -3.430 3.733 1.00 0.50 H new ATOM 0 HB3 MET A 44 -12.037 -2.626 5.283 1.00 0.50 H new ATOM 0 HG2 MET A 44 -14.147 -4.167 3.764 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.502 -4.492 5.360 1.00 0.82 H new ATOM 0 HE1 MET A 44 -17.281 -2.485 4.365 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.985 -1.676 3.453 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.164 -3.444 3.364 1.00 1.62 H new ATOM 240 N MET A 45 -10.777 -1.163 2.475 1.00 0.28 N ATOM 241 CA MET A 45 -9.560 -0.421 2.160 1.00 0.22 C ATOM 242 C MET A 45 -9.907 0.896 1.475 1.00 0.20 C ATOM 243 O MET A 45 -9.191 1.882 1.618 1.00 0.20 O ATOM 244 CB MET A 45 -8.612 -1.243 1.280 1.00 0.24 C ATOM 245 CG MET A 45 -9.118 -1.442 -0.137 1.00 0.32 C ATOM 246 SD MET A 45 -8.161 -2.643 -1.076 1.00 0.98 S ATOM 247 CE MET A 45 -6.604 -1.783 -1.224 1.00 0.22 C ATOM 0 H MET A 45 -10.924 -2.005 1.918 1.00 0.28 H new ATOM 0 HA MET A 45 -9.046 -0.211 3.098 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.642 -0.748 1.244 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.455 -2.218 1.741 1.00 0.24 H new ATOM 0 HG2 MET A 45 -10.158 -1.765 -0.101 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.099 -0.485 -0.659 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.968 -2.302 -1.941 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.782 -0.764 -1.568 1.00 0.22 H new ATOM 0 HE3 MET A 45 -6.109 -1.757 -0.253 1.00 0.22 H new ATOM 257 N SER A 46 -10.994 0.908 0.721 1.00 0.24 N ATOM 258 CA SER A 46 -11.490 2.139 0.136 1.00 0.30 C ATOM 259 C SER A 46 -11.694 3.189 1.226 1.00 0.27 C ATOM 260 O SER A 46 -11.192 4.307 1.129 1.00 0.30 O ATOM 261 CB SER A 46 -12.798 1.879 -0.622 1.00 0.39 C ATOM 262 OG SER A 46 -13.217 3.025 -1.346 1.00 0.53 O ATOM 0 H SER A 46 -11.548 0.080 0.501 1.00 0.24 H new ATOM 0 HA SER A 46 -10.755 2.516 -0.575 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.662 1.044 -1.309 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.577 1.588 0.083 1.00 0.39 H new ATOM 0 HG SER A 46 -14.052 2.826 -1.819 1.00 0.53 H new ATOM 268 N GLN A 47 -12.422 2.823 2.269 1.00 0.25 N ATOM 269 CA GLN A 47 -12.659 3.739 3.372 1.00 0.27 C ATOM 270 C GLN A 47 -11.440 3.872 4.293 1.00 0.24 C ATOM 271 O GLN A 47 -11.063 4.979 4.662 1.00 0.29 O ATOM 272 CB GLN A 47 -13.907 3.334 4.168 1.00 0.30 C ATOM 273 CG GLN A 47 -13.832 1.950 4.793 1.00 0.33 C ATOM 274 CD GLN A 47 -15.130 1.538 5.454 1.00 0.43 C ATOM 275 OE1 GLN A 47 -16.210 1.953 5.037 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.039 0.725 6.490 1.00 1.11 N ATOM 0 H GLN A 47 -12.856 1.906 2.375 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.835 4.721 2.934 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -14.073 4.067 4.957 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.773 3.375 3.508 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.573 1.222 4.024 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -13.031 1.932 5.532 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.125 0.402 6.806 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.883 0.420 6.974 1.00 1.11 H new ATOM 285 N ALA A 48 -10.826 2.751 4.668 1.00 0.21 N ATOM 286 CA ALA A 48 -9.756 2.762 5.660 1.00 0.22 C ATOM 287 C ALA A 48 -8.434 3.142 5.050 1.00 0.20 C ATOM 288 O ALA A 48 -7.783 4.078 5.501 1.00 0.22 O ATOM 289 CB ALA A 48 -9.611 1.403 6.329 1.00 0.24 C ATOM 0 H ALA A 48 -11.051 1.827 4.300 1.00 0.21 H new ATOM 0 HA ALA A 48 -10.033 3.509 6.404 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.806 1.443 7.063 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.544 1.142 6.828 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.379 0.650 5.576 1.00 0.24 H new ATOM 295 N LEU A 49 -8.056 2.443 3.995 1.00 0.18 N ATOM 296 CA LEU A 49 -6.713 2.526 3.473 1.00 0.18 C ATOM 297 C LEU A 49 -6.516 3.850 2.751 1.00 0.19 C ATOM 298 O LEU A 49 -5.531 4.543 2.975 1.00 0.21 O ATOM 299 CB LEU A 49 -6.457 1.324 2.551 1.00 0.23 C ATOM 300 CG LEU A 49 -5.090 1.284 1.896 1.00 0.19 C ATOM 301 CD1 LEU A 49 -3.967 1.270 2.929 1.00 0.47 C ATOM 302 CD2 LEU A 49 -4.991 0.087 0.994 1.00 0.58 C ATOM 0 H LEU A 49 -8.669 1.808 3.483 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.989 2.491 4.287 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -6.591 0.410 3.129 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -7.216 1.320 1.769 1.00 0.23 H new ATOM 0 HG LEU A 49 -4.974 2.192 1.304 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.004 1.241 2.419 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -4.026 2.169 3.543 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.068 0.390 3.564 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -4.007 0.064 0.527 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -5.137 -0.822 1.578 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -5.758 0.149 0.222 1.00 0.58 H new ATOM 314 N LYS A 50 -7.462 4.210 1.903 1.00 0.19 N ATOM 315 CA LYS A 50 -7.385 5.468 1.170 1.00 0.21 C ATOM 316 C LYS A 50 -7.386 6.678 2.112 1.00 0.23 C ATOM 317 O LYS A 50 -6.725 7.681 1.851 1.00 0.27 O ATOM 318 CB LYS A 50 -8.538 5.568 0.173 1.00 0.22 C ATOM 319 CG LYS A 50 -8.659 4.341 -0.712 1.00 0.20 C ATOM 320 CD LYS A 50 -7.356 4.059 -1.453 1.00 0.21 C ATOM 321 CE LYS A 50 -7.118 5.060 -2.571 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.880 4.702 -3.796 1.00 0.55 N ATOM 0 H LYS A 50 -8.293 3.653 1.703 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.440 5.478 0.627 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.471 5.711 0.717 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.396 6.449 -0.453 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.928 3.477 -0.104 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.464 4.488 -1.432 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.523 4.093 -0.751 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.383 3.051 -1.867 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.411 6.056 -2.237 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.054 5.102 -2.803 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.655 5.377 -4.554 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.620 3.742 -4.099 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.899 4.736 -3.593 1.00 0.55 H new ATOM 336 N ALA A 51 -8.138 6.576 3.197 1.00 0.22 N ATOM 337 CA ALA A 51 -8.234 7.664 4.170 1.00 0.23 C ATOM 338 C ALA A 51 -7.020 7.708 5.096 1.00 0.23 C ATOM 339 O ALA A 51 -6.589 8.778 5.531 1.00 0.26 O ATOM 340 CB ALA A 51 -9.509 7.545 4.982 1.00 0.25 C ATOM 0 H ALA A 51 -8.693 5.752 3.430 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.257 8.598 3.609 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.561 8.364 5.700 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.370 7.591 4.316 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.513 6.594 5.515 1.00 0.25 H new ATOM 346 N THR A 52 -6.473 6.536 5.398 1.00 0.21 N ATOM 347 CA THR A 52 -5.413 6.404 6.392 1.00 0.22 C ATOM 348 C THR A 52 -4.068 6.911 5.881 1.00 0.21 C ATOM 349 O THR A 52 -3.133 7.081 6.662 1.00 0.23 O ATOM 350 CB THR A 52 -5.260 4.928 6.839 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.484 4.849 8.037 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.595 4.084 5.756 1.00 0.18 C ATOM 0 H THR A 52 -6.749 5.655 4.964 1.00 0.21 H new ATOM 0 HA THR A 52 -5.709 7.021 7.240 1.00 0.22 H new ATOM 0 HB THR A 52 -6.261 4.537 7.021 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.844 5.591 8.062 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.503 3.055 6.102 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.202 4.110 4.851 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.604 4.484 5.540 1.00 0.18 H new ATOM 360 N PHE A 53 -3.989 7.200 4.587 1.00 0.23 N ATOM 361 CA PHE A 53 -2.706 7.469 3.942 1.00 0.27 C ATOM 362 C PHE A 53 -1.971 8.653 4.557 1.00 0.32 C ATOM 363 O PHE A 53 -0.751 8.763 4.425 1.00 0.34 O ATOM 364 CB PHE A 53 -2.877 7.691 2.441 1.00 0.31 C ATOM 365 CG PHE A 53 -3.245 6.451 1.688 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.670 5.238 2.013 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.165 6.497 0.659 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.005 4.091 1.324 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.503 5.352 -0.033 1.00 0.39 C ATOM 370 CZ PHE A 53 -3.921 4.149 0.298 1.00 0.38 C ATOM 0 H PHE A 53 -4.795 7.254 3.964 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.096 6.581 4.108 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.647 8.446 2.280 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.948 8.091 2.034 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -1.950 5.187 2.816 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.624 7.438 0.393 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.549 3.148 1.589 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.225 5.400 -0.835 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.182 3.253 -0.246 1.00 0.38 H new ATOM 380 N SER A 54 -2.703 9.516 5.242 1.00 0.36 N ATOM 381 CA SER A 54 -2.110 10.656 5.919 1.00 0.44 C ATOM 382 C SER A 54 -1.094 10.208 6.972 1.00 0.39 C ATOM 383 O SER A 54 -0.206 10.968 7.349 1.00 0.46 O ATOM 384 CB SER A 54 -3.215 11.492 6.561 1.00 0.55 C ATOM 385 OG SER A 54 -4.188 10.661 7.174 1.00 1.37 O ATOM 0 H SER A 54 -3.716 9.447 5.344 1.00 0.36 H new ATOM 0 HA SER A 54 -1.576 11.261 5.186 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.784 12.163 7.304 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.689 12.117 5.805 1.00 0.55 H new ATOM 0 HG SER A 54 -4.885 11.218 7.580 1.00 1.37 H new ATOM 391 N GLY A 55 -1.238 8.976 7.452 1.00 0.31 N ATOM 392 CA GLY A 55 -0.316 8.442 8.434 1.00 0.28 C ATOM 393 C GLY A 55 1.124 8.403 7.952 1.00 0.22 C ATOM 394 O GLY A 55 1.968 9.157 8.443 1.00 0.25 O ATOM 0 H GLY A 55 -1.982 8.336 7.175 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.372 9.046 9.340 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.628 7.433 8.704 1.00 0.28 H new ATOM 398 N PHE A 56 1.400 7.565 6.957 1.00 0.15 N ATOM 399 CA PHE A 56 2.778 7.324 6.530 1.00 0.12 C ATOM 400 C PHE A 56 3.281 8.440 5.649 1.00 0.13 C ATOM 401 O PHE A 56 4.350 8.966 5.875 1.00 0.17 O ATOM 402 CB PHE A 56 2.922 6.006 5.771 1.00 0.13 C ATOM 403 CG PHE A 56 4.326 5.748 5.293 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.279 5.236 6.156 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.695 6.036 3.986 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.573 5.014 5.728 1.00 0.28 C ATOM 407 CE2 PHE A 56 5.989 5.814 3.553 1.00 0.26 C ATOM 408 CZ PHE A 56 6.929 5.304 4.426 1.00 0.28 C ATOM 0 H PHE A 56 0.696 7.045 6.434 1.00 0.15 H new ATOM 0 HA PHE A 56 3.373 7.275 7.442 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.608 5.186 6.417 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.249 6.012 4.914 1.00 0.13 H new ATOM 0 HD1 PHE A 56 5.008 5.007 7.176 1.00 0.23 H new ATOM 0 HD2 PHE A 56 3.964 6.438 3.300 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.307 4.613 6.412 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.264 6.039 2.533 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.941 5.132 4.091 1.00 0.28 H new ATOM 418 N THR A 57 2.490 8.806 4.659 1.00 0.16 N ATOM 419 CA THR A 57 2.903 9.791 3.661 1.00 0.24 C ATOM 420 C THR A 57 3.305 11.117 4.322 1.00 0.26 C ATOM 421 O THR A 57 4.113 11.878 3.788 1.00 0.35 O ATOM 422 CB THR A 57 1.771 10.058 2.663 1.00 0.32 C ATOM 423 OG1 THR A 57 1.175 8.817 2.245 1.00 0.39 O ATOM 424 CG2 THR A 57 2.285 10.806 1.444 1.00 0.46 C ATOM 0 H THR A 57 1.550 8.437 4.518 1.00 0.16 H new ATOM 0 HA THR A 57 3.765 9.378 3.137 1.00 0.24 H new ATOM 0 HB THR A 57 1.022 10.673 3.162 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.445 8.583 2.855 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.462 10.983 0.752 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.709 11.761 1.755 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.053 10.212 0.950 1.00 0.46 H new ATOM 432 N LYS A 58 2.760 11.357 5.507 1.00 0.24 N ATOM 433 CA LYS A 58 3.054 12.575 6.250 1.00 0.31 C ATOM 434 C LYS A 58 4.406 12.446 6.940 1.00 0.29 C ATOM 435 O LYS A 58 5.241 13.351 6.879 1.00 0.31 O ATOM 436 CB LYS A 58 1.971 12.860 7.284 1.00 0.39 C ATOM 437 CG LYS A 58 2.193 14.148 8.060 1.00 0.50 C ATOM 438 CD LYS A 58 1.068 14.418 9.047 1.00 1.34 C ATOM 439 CE LYS A 58 1.098 13.461 10.235 1.00 1.93 C ATOM 440 NZ LYS A 58 0.551 12.114 9.909 1.00 2.52 N ATOM 0 H LYS A 58 2.111 10.724 5.975 1.00 0.24 H new ATOM 0 HA LYS A 58 3.082 13.407 5.546 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.005 12.911 6.781 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.922 12.027 7.985 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.140 14.090 8.596 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.272 14.982 7.363 1.00 0.50 H new ATOM 0 HD2 LYS A 58 1.143 15.444 9.408 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.110 14.329 8.535 1.00 1.34 H new ATOM 0 HE2 LYS A 58 2.125 13.356 10.584 1.00 1.93 H new ATOM 0 HE3 LYS A 58 0.525 13.891 11.056 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 -0.163 11.849 10.617 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 0.113 12.136 8.966 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 1.321 11.415 9.916 1.00 2.52 H new ATOM 454 N GLU A 59 4.630 11.299 7.576 1.00 0.26 N ATOM 455 CA GLU A 59 5.852 11.087 8.337 1.00 0.25 C ATOM 456 C GLU A 59 6.969 10.614 7.411 1.00 0.21 C ATOM 457 O GLU A 59 8.145 10.746 7.723 1.00 0.24 O ATOM 458 CB GLU A 59 5.616 10.116 9.503 1.00 0.31 C ATOM 459 CG GLU A 59 6.559 8.936 9.539 1.00 0.43 C ATOM 460 CD GLU A 59 6.654 8.328 10.923 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.464 8.811 11.735 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.922 7.354 11.202 1.00 0.97 O ATOM 0 H GLU A 59 3.985 10.509 7.578 1.00 0.26 H new ATOM 0 HA GLU A 59 6.163 12.034 8.778 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.706 10.665 10.440 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.593 9.745 9.448 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.219 8.179 8.833 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.550 9.253 9.214 1.00 0.43 H new ATOM 469 N GLN A 60 6.573 10.072 6.270 1.00 0.19 N ATOM 470 CA GLN A 60 7.487 9.719 5.194 1.00 0.19 C ATOM 471 C GLN A 60 8.373 10.907 4.881 1.00 0.22 C ATOM 472 O GLN A 60 9.593 10.822 4.925 1.00 0.23 O ATOM 473 CB GLN A 60 6.673 9.337 3.956 1.00 0.21 C ATOM 474 CG GLN A 60 7.491 9.029 2.725 1.00 0.28 C ATOM 475 CD GLN A 60 6.610 8.849 1.509 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.519 9.410 1.431 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.089 8.102 0.543 1.00 0.26 N ATOM 0 H GLN A 60 5.597 9.862 6.062 1.00 0.19 H new ATOM 0 HA GLN A 60 8.110 8.877 5.494 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.063 8.466 4.195 1.00 0.21 H new ATOM 0 HB3 GLN A 60 5.988 10.153 3.724 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.200 9.837 2.546 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.074 8.123 2.891 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.999 7.654 0.648 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.551 7.969 -0.313 1.00 0.26 H new ATOM 486 N GLN A 61 7.725 12.028 4.628 1.00 0.28 N ATOM 487 CA GLN A 61 8.414 13.276 4.334 1.00 0.34 C ATOM 488 C GLN A 61 9.308 13.683 5.504 1.00 0.34 C ATOM 489 O GLN A 61 10.389 14.240 5.320 1.00 0.37 O ATOM 490 CB GLN A 61 7.382 14.367 4.081 1.00 0.45 C ATOM 491 CG GLN A 61 6.473 14.087 2.893 1.00 0.58 C ATOM 492 CD GLN A 61 7.245 13.905 1.601 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.629 12.674 1.307 1.00 1.23 O flip ATOM 494 NE2 GLN A 61 7.499 14.864 0.875 1.00 1.12 N flip ATOM 0 H GLN A 61 6.708 12.102 4.620 1.00 0.28 H new ATOM 0 HA GLN A 61 9.037 13.138 3.451 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.770 14.490 4.974 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.899 15.312 3.917 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.887 13.190 3.092 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.767 14.910 2.778 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.185 15.799 1.136 1.00 1.12 H new ATOM 0 HE22 GLN A 61 8.023 14.725 0.011 1.00 1.12 H new ATOM 503 N ARG A 62 8.841 13.370 6.706 1.00 0.34 N ATOM 504 CA ARG A 62 9.517 13.746 7.940 1.00 0.39 C ATOM 505 C ARG A 62 10.761 12.887 8.167 1.00 0.36 C ATOM 506 O ARG A 62 11.830 13.394 8.505 1.00 0.41 O ATOM 507 CB ARG A 62 8.544 13.583 9.110 1.00 0.44 C ATOM 508 CG ARG A 62 9.072 14.100 10.435 1.00 0.58 C ATOM 509 CD ARG A 62 9.193 15.618 10.427 1.00 1.13 C ATOM 510 NE ARG A 62 10.070 16.110 11.489 1.00 1.93 N ATOM 511 CZ ARG A 62 10.031 17.352 11.972 1.00 2.74 C ATOM 512 NH1 ARG A 62 9.112 18.205 11.543 1.00 2.99 N ATOM 513 NH2 ARG A 62 10.902 17.737 12.893 1.00 3.73 N ATOM 0 H ARG A 62 7.978 12.846 6.852 1.00 0.34 H new ATOM 0 HA ARG A 62 9.838 14.785 7.866 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.617 14.105 8.872 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.296 12.527 9.218 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.406 13.790 11.240 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.046 13.656 10.639 1.00 0.58 H new ATOM 0 HD2 ARG A 62 9.577 15.945 9.461 1.00 1.13 H new ATOM 0 HD3 ARG A 62 8.203 16.060 10.542 1.00 1.13 H new ATOM 0 HE ARG A 62 10.753 15.464 11.884 1.00 1.93 H new ATOM 0 HH11 ARG A 62 8.432 17.912 10.841 1.00 2.99 H new ATOM 0 HH12 ARG A 62 9.085 19.155 11.914 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.606 17.082 13.235 1.00 3.73 H new ATOM 0 HH22 ARG A 62 10.869 18.688 13.260 1.00 3.73 H new ATOM 527 N LEU A 63 10.609 11.584 7.957 1.00 0.30 N ATOM 528 CA LEU A 63 11.702 10.622 8.112 1.00 0.32 C ATOM 529 C LEU A 63 12.703 10.731 6.986 1.00 0.31 C ATOM 530 O LEU A 63 13.612 9.910 6.868 1.00 0.37 O ATOM 531 CB LEU A 63 11.145 9.201 8.187 1.00 0.33 C ATOM 532 CG LEU A 63 10.214 8.934 9.371 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.655 7.524 9.304 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.946 9.156 10.686 1.00 0.65 C ATOM 0 H LEU A 63 9.725 11.161 7.674 1.00 0.30 H new ATOM 0 HA LEU A 63 12.221 10.855 9.042 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.605 8.989 7.264 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.980 8.502 8.235 1.00 0.33 H new ATOM 0 HG LEU A 63 9.382 9.636 9.318 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.995 7.353 10.155 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.093 7.399 8.378 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.475 6.806 9.331 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.268 8.961 11.517 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.798 8.479 10.747 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.297 10.187 10.738 1.00 0.65 H new ATOM 546 N GLY A 64 12.542 11.753 6.168 1.00 0.28 N ATOM 547 CA GLY A 64 13.406 11.920 5.034 1.00 0.30 C ATOM 548 C GLY A 64 13.185 10.823 4.033 1.00 0.27 C ATOM 549 O GLY A 64 14.019 10.591 3.158 1.00 0.33 O ATOM 0 H GLY A 64 11.825 12.471 6.273 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.220 12.888 4.568 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.446 11.918 5.360 1.00 0.30 H new ATOM 553 N ILE A 65 12.055 10.134 4.160 1.00 0.22 N ATOM 554 CA ILE A 65 11.729 9.103 3.223 1.00 0.20 C ATOM 555 C ILE A 65 11.150 9.762 1.990 1.00 0.21 C ATOM 556 O ILE A 65 10.167 10.498 2.075 1.00 0.23 O ATOM 557 CB ILE A 65 10.727 8.044 3.746 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.253 7.373 5.016 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.459 6.991 2.665 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.420 6.185 5.461 1.00 0.20 C ATOM 0 H ILE A 65 11.367 10.280 4.899 1.00 0.22 H new ATOM 0 HA ILE A 65 12.651 8.560 3.019 1.00 0.20 H new ATOM 0 HB ILE A 65 9.793 8.550 3.990 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.278 7.045 4.846 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.283 8.108 5.820 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.753 6.252 3.044 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.039 7.474 1.783 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.393 6.497 2.399 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.850 5.758 6.367 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.400 6.511 5.663 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.411 5.431 4.673 1.00 0.20 H new ATOM 572 N PRO A 66 11.772 9.537 0.843 1.00 0.24 N ATOM 573 CA PRO A 66 11.320 10.123 -0.409 1.00 0.27 C ATOM 574 C PRO A 66 9.888 9.713 -0.728 1.00 0.22 C ATOM 575 O PRO A 66 9.517 8.558 -0.565 1.00 0.23 O ATOM 576 CB PRO A 66 12.277 9.557 -1.447 1.00 0.35 C ATOM 577 CG PRO A 66 13.440 8.997 -0.691 1.00 0.26 C ATOM 578 CD PRO A 66 12.957 8.687 0.685 1.00 0.31 C ATOM 0 HA PRO A 66 11.320 11.213 -0.377 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.791 8.783 -2.041 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.602 10.334 -2.139 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.820 8.099 -1.178 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.261 9.714 -0.659 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.709 7.631 0.793 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.715 8.914 1.435 1.00 0.31 H new ATOM 586 N LYS A 67 9.096 10.682 -1.152 1.00 0.25 N ATOM 587 CA LYS A 67 7.677 10.487 -1.468 1.00 0.27 C ATOM 588 C LYS A 67 7.451 9.423 -2.551 1.00 0.25 C ATOM 589 O LYS A 67 6.385 8.809 -2.612 1.00 0.36 O ATOM 590 CB LYS A 67 7.097 11.818 -1.947 1.00 0.43 C ATOM 591 CG LYS A 67 7.865 12.382 -3.133 1.00 1.04 C ATOM 592 CD LYS A 67 7.498 13.821 -3.440 1.00 1.15 C ATOM 593 CE LYS A 67 8.460 14.412 -4.460 1.00 1.67 C ATOM 594 NZ LYS A 67 8.162 15.837 -4.755 1.00 2.42 N ATOM 0 H LYS A 67 9.416 11.640 -1.291 1.00 0.25 H new ATOM 0 HA LYS A 67 7.180 10.137 -0.563 1.00 0.27 H new ATOM 0 HB2 LYS A 67 6.052 11.679 -2.225 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.116 12.537 -1.128 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.934 12.320 -2.930 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.671 11.767 -4.012 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.479 13.868 -3.823 1.00 1.15 H new ATOM 0 HD3 LYS A 67 7.522 14.412 -2.524 1.00 1.15 H new ATOM 0 HE2 LYS A 67 9.480 14.326 -4.086 1.00 1.67 H new ATOM 0 HE3 LYS A 67 8.409 13.834 -5.382 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 8.843 16.196 -5.454 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 7.198 15.918 -5.137 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 8.236 16.395 -3.881 1.00 2.42 H new ATOM 608 N ASP A 68 8.450 9.222 -3.397 1.00 0.28 N ATOM 609 CA ASP A 68 8.343 8.319 -4.532 1.00 0.28 C ATOM 610 C ASP A 68 8.634 6.894 -4.076 1.00 0.21 C ATOM 611 O ASP A 68 9.270 6.707 -3.046 1.00 0.23 O ATOM 612 CB ASP A 68 9.344 8.799 -5.591 1.00 0.39 C ATOM 613 CG ASP A 68 9.382 7.957 -6.841 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.551 8.198 -7.734 1.00 1.65 O ATOM 615 OD2 ASP A 68 10.215 7.031 -6.920 1.00 1.88 O ATOM 0 H ASP A 68 9.358 9.680 -3.316 1.00 0.28 H new ATOM 0 HA ASP A 68 7.340 8.320 -4.958 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.099 9.825 -5.866 1.00 0.39 H new ATOM 0 HB3 ASP A 68 10.340 8.817 -5.149 1.00 0.39 H new ATOM 620 N PRO A 69 8.132 5.861 -4.778 1.00 0.19 N ATOM 621 CA PRO A 69 8.465 4.476 -4.468 1.00 0.20 C ATOM 622 C PRO A 69 9.456 3.807 -5.442 1.00 0.26 C ATOM 623 O PRO A 69 9.675 2.611 -5.348 1.00 0.65 O ATOM 624 CB PRO A 69 7.097 3.835 -4.603 1.00 0.40 C ATOM 625 CG PRO A 69 6.476 4.535 -5.772 1.00 0.37 C ATOM 626 CD PRO A 69 7.096 5.921 -5.826 1.00 0.22 C ATOM 0 HA PRO A 69 8.968 4.379 -3.506 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.176 2.762 -4.777 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.504 3.968 -3.698 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.666 3.989 -6.696 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.394 4.599 -5.656 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.524 6.134 -6.805 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.361 6.700 -5.623 1.00 0.22 H new ATOM 634 N ARG A 70 10.030 4.565 -6.375 1.00 0.20 N ATOM 635 CA ARG A 70 10.945 4.008 -7.396 1.00 0.26 C ATOM 636 C ARG A 70 12.422 4.166 -7.023 1.00 0.19 C ATOM 637 O ARG A 70 13.300 3.818 -7.808 1.00 0.27 O ATOM 638 CB ARG A 70 10.738 4.694 -8.750 1.00 0.46 C ATOM 639 CG ARG A 70 9.577 4.171 -9.577 1.00 0.96 C ATOM 640 CD ARG A 70 8.227 4.453 -8.945 1.00 0.87 C ATOM 641 NE ARG A 70 7.249 4.856 -9.952 1.00 1.06 N ATOM 642 CZ ARG A 70 6.255 4.090 -10.391 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.074 2.869 -9.898 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.438 4.553 -11.327 1.00 1.79 N ATOM 0 H ARG A 70 9.883 5.571 -6.453 1.00 0.20 H new ATOM 0 HA ARG A 70 10.704 2.947 -7.453 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.588 5.760 -8.578 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.653 4.591 -9.334 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.610 4.624 -10.568 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.691 3.096 -9.714 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.872 3.563 -8.425 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.329 5.240 -8.197 1.00 0.87 H new ATOM 0 HE ARG A 70 7.335 5.793 -10.347 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.701 2.512 -9.176 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.309 2.289 -10.241 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.575 5.491 -11.705 1.00 1.79 H new ATOM 0 HH22 ARG A 70 4.673 3.972 -11.669 1.00 1.79 H new ATOM 658 N GLN A 71 12.691 4.675 -5.838 1.00 0.16 N ATOM 659 CA GLN A 71 14.056 5.039 -5.447 1.00 0.16 C ATOM 660 C GLN A 71 14.296 4.808 -3.956 1.00 0.15 C ATOM 661 O GLN A 71 15.251 5.322 -3.376 1.00 0.18 O ATOM 662 CB GLN A 71 14.368 6.507 -5.822 1.00 0.20 C ATOM 663 CG GLN A 71 13.310 7.534 -5.427 1.00 0.38 C ATOM 664 CD GLN A 71 12.541 7.136 -4.197 1.00 0.26 C ATOM 665 OE1 GLN A 71 12.969 7.375 -3.083 1.00 0.89 O ATOM 666 NE2 GLN A 71 11.396 6.525 -4.395 1.00 0.29 N ATOM 0 H GLN A 71 11.987 4.850 -5.121 1.00 0.16 H new ATOM 0 HA GLN A 71 14.734 4.388 -6.000 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.312 6.788 -5.355 1.00 0.20 H new ATOM 0 HB3 GLN A 71 14.516 6.563 -6.900 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.792 8.496 -5.253 1.00 0.38 H new ATOM 0 HG3 GLN A 71 12.615 7.670 -6.256 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.073 6.343 -5.345 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.830 6.232 -3.599 1.00 0.29 H new ATOM 675 N TRP A 72 13.428 4.020 -3.351 1.00 0.12 N ATOM 676 CA TRP A 72 13.491 3.738 -1.932 1.00 0.11 C ATOM 677 C TRP A 72 14.567 2.712 -1.622 1.00 0.12 C ATOM 678 O TRP A 72 15.021 1.984 -2.495 1.00 0.14 O ATOM 679 CB TRP A 72 12.140 3.155 -1.503 1.00 0.11 C ATOM 680 CG TRP A 72 11.127 4.160 -1.085 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.322 5.481 -0.830 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.744 3.901 -0.855 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.136 6.060 -0.461 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.150 5.110 -0.474 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.950 2.762 -0.942 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.791 5.209 -0.179 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.610 2.860 -0.653 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.042 4.075 -0.276 1.00 0.10 C ATOM 0 H TRP A 72 12.657 3.557 -3.832 1.00 0.12 H new ATOM 0 HA TRP A 72 13.723 4.661 -1.401 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.733 2.573 -2.330 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.305 2.463 -0.677 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.268 5.996 -0.907 1.00 0.10 H new ATOM 0 HE1 TRP A 72 10.008 7.042 -0.216 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.380 1.815 -1.232 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.349 6.149 0.115 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.987 1.980 -0.719 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.986 4.119 -0.056 1.00 0.10 H new ATOM 699 N THR A 73 15.015 2.695 -0.386 1.00 0.14 N ATOM 700 CA THR A 73 15.848 1.619 0.092 1.00 0.15 C ATOM 701 C THR A 73 14.964 0.452 0.495 1.00 0.15 C ATOM 702 O THR A 73 13.739 0.611 0.573 1.00 0.16 O ATOM 703 CB THR A 73 16.672 2.073 1.308 1.00 0.18 C ATOM 704 OG1 THR A 73 15.783 2.535 2.337 1.00 0.19 O ATOM 705 CG2 THR A 73 17.627 3.193 0.926 1.00 0.21 C ATOM 0 H THR A 73 14.815 3.417 0.306 1.00 0.14 H new ATOM 0 HA THR A 73 16.532 1.320 -0.703 1.00 0.15 H new ATOM 0 HB THR A 73 17.256 1.227 1.669 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.305 2.824 3.115 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.199 3.498 1.802 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.309 2.842 0.152 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.058 4.044 0.550 1.00 0.21 H new ATOM 713 N GLU A 74 15.555 -0.701 0.762 1.00 0.17 N ATOM 714 CA GLU A 74 14.787 -1.837 1.256 1.00 0.20 C ATOM 715 C GLU A 74 14.077 -1.468 2.559 1.00 0.19 C ATOM 716 O GLU A 74 13.015 -2.003 2.878 1.00 0.28 O ATOM 717 CB GLU A 74 15.695 -3.048 1.469 1.00 0.29 C ATOM 718 CG GLU A 74 16.930 -2.744 2.298 1.00 1.25 C ATOM 719 CD GLU A 74 17.692 -3.992 2.674 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.204 -4.668 1.761 1.00 2.67 O ATOM 721 OE2 GLU A 74 17.787 -4.295 3.880 1.00 1.99 O ATOM 0 H GLU A 74 16.553 -0.877 0.647 1.00 0.17 H new ATOM 0 HA GLU A 74 14.036 -2.098 0.510 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.125 -3.838 1.958 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.005 -3.434 0.498 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.585 -2.077 1.738 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.635 -2.215 3.204 1.00 1.25 H new ATOM 728 N THR A 75 14.665 -0.527 3.292 1.00 0.18 N ATOM 729 CA THR A 75 14.118 -0.076 4.557 1.00 0.21 C ATOM 730 C THR A 75 12.931 0.862 4.340 1.00 0.17 C ATOM 731 O THR A 75 11.949 0.808 5.074 1.00 0.20 O ATOM 732 CB THR A 75 15.194 0.652 5.381 1.00 0.29 C ATOM 733 OG1 THR A 75 16.426 -0.079 5.310 1.00 0.47 O ATOM 734 CG2 THR A 75 14.771 0.790 6.835 1.00 0.47 C ATOM 0 H THR A 75 15.531 -0.060 3.023 1.00 0.18 H new ATOM 0 HA THR A 75 13.777 -0.957 5.101 1.00 0.21 H new ATOM 0 HB THR A 75 15.327 1.651 4.965 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.112 0.385 5.833 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.551 1.308 7.393 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.844 1.361 6.892 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.615 -0.200 7.264 1.00 0.47 H new ATOM 742 N HIS A 76 13.015 1.705 3.309 1.00 0.14 N ATOM 743 CA HIS A 76 11.962 2.688 3.050 1.00 0.12 C ATOM 744 C HIS A 76 10.720 1.989 2.502 1.00 0.10 C ATOM 745 O HIS A 76 9.587 2.325 2.864 1.00 0.10 O ATOM 746 CB HIS A 76 12.448 3.791 2.086 1.00 0.14 C ATOM 747 CG HIS A 76 13.426 4.748 2.703 1.00 0.15 C ATOM 748 ND1 HIS A 76 13.547 5.186 3.978 1.00 0.20 N flip ATOM 749 CD2 HIS A 76 14.411 5.397 1.984 1.00 0.16 C flip ATOM 750 CE1 HIS A 76 14.589 6.077 4.008 1.00 0.22 C flip ATOM 751 NE2 HIS A 76 15.094 6.186 2.794 1.00 0.19 N flip ATOM 0 H HIS A 76 13.791 1.727 2.647 1.00 0.14 H new ATOM 0 HA HIS A 76 11.704 3.172 3.992 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.911 3.323 1.217 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.585 4.351 1.725 1.00 0.14 H new ATOM 0 HD2 HIS A 76 14.594 5.278 0.926 1.00 0.16 H new ATOM 0 HE1 HIS A 76 14.939 6.604 4.883 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.879 6.779 2.526 1.00 0.19 H new ATOM 760 N VAL A 77 10.949 0.989 1.655 1.00 0.09 N ATOM 761 CA VAL A 77 9.875 0.210 1.080 1.00 0.07 C ATOM 762 C VAL A 77 9.169 -0.571 2.178 1.00 0.08 C ATOM 763 O VAL A 77 7.959 -0.474 2.327 1.00 0.08 O ATOM 764 CB VAL A 77 10.400 -0.759 -0.004 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.317 -1.740 -0.423 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.913 0.015 -1.214 1.00 0.08 C ATOM 0 H VAL A 77 11.881 0.703 1.354 1.00 0.09 H new ATOM 0 HA VAL A 77 9.172 0.894 0.604 1.00 0.07 H new ATOM 0 HB VAL A 77 11.229 -1.325 0.422 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.710 -2.411 -1.186 1.00 0.09 H new ATOM 0 HG12 VAL A 77 8.998 -2.321 0.442 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.465 -1.192 -0.826 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.278 -0.685 -1.966 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.103 0.610 -1.635 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.725 0.674 -0.907 1.00 0.08 H new ATOM 776 N ARG A 78 9.945 -1.307 2.972 1.00 0.09 N ATOM 777 CA ARG A 78 9.385 -2.125 4.044 1.00 0.11 C ATOM 778 C ARG A 78 8.673 -1.281 5.094 1.00 0.10 C ATOM 779 O ARG A 78 7.708 -1.740 5.706 1.00 0.14 O ATOM 780 CB ARG A 78 10.466 -2.976 4.703 1.00 0.18 C ATOM 781 CG ARG A 78 10.735 -4.279 3.970 1.00 0.37 C ATOM 782 CD ARG A 78 11.759 -5.127 4.702 1.00 0.40 C ATOM 783 NE ARG A 78 13.110 -4.585 4.576 1.00 1.11 N ATOM 784 CZ ARG A 78 14.033 -4.660 5.535 1.00 1.43 C ATOM 785 NH1 ARG A 78 13.708 -5.084 6.749 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.278 -4.270 5.299 1.00 2.21 N ATOM 0 H ARG A 78 10.961 -1.353 2.893 1.00 0.09 H new ATOM 0 HA ARG A 78 8.646 -2.783 3.586 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.390 -2.400 4.757 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.169 -3.198 5.728 1.00 0.18 H new ATOM 0 HG2 ARG A 78 9.805 -4.838 3.866 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.092 -4.064 2.963 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.491 -5.190 5.757 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.738 -6.143 4.307 1.00 0.40 H new ATOM 0 HE ARG A 78 13.362 -4.122 3.703 1.00 1.11 H new ATOM 0 HH11 ARG A 78 12.746 -5.355 6.954 1.00 1.57 H new ATOM 0 HH12 ARG A 78 14.420 -5.139 7.478 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.534 -3.910 4.380 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.980 -4.330 6.037 1.00 2.21 H new ATOM 800 N ASP A 79 9.137 -0.051 5.290 1.00 0.11 N ATOM 801 CA ASP A 79 8.498 0.871 6.225 1.00 0.12 C ATOM 802 C ASP A 79 7.068 1.115 5.789 1.00 0.11 C ATOM 803 O ASP A 79 6.108 0.957 6.559 1.00 0.12 O ATOM 804 CB ASP A 79 9.235 2.208 6.256 1.00 0.16 C ATOM 805 CG ASP A 79 9.260 2.815 7.645 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.221 3.340 8.093 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.318 2.747 8.307 1.00 0.95 O ATOM 0 H ASP A 79 9.954 0.332 4.814 1.00 0.11 H new ATOM 0 HA ASP A 79 8.524 0.427 7.220 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.257 2.066 5.905 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.755 2.902 5.566 1.00 0.16 H new ATOM 812 N TRP A 80 6.934 1.440 4.517 1.00 0.10 N ATOM 813 CA TRP A 80 5.649 1.736 3.929 1.00 0.09 C ATOM 814 C TRP A 80 4.855 0.446 3.758 1.00 0.09 C ATOM 815 O TRP A 80 3.622 0.432 3.854 1.00 0.09 O ATOM 816 CB TRP A 80 5.903 2.423 2.590 1.00 0.09 C ATOM 817 CG TRP A 80 4.836 2.236 1.576 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.744 3.016 1.378 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.783 1.200 0.597 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.011 2.529 0.327 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.633 1.414 -0.169 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.600 0.117 0.295 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.279 0.584 -1.220 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.249 -0.711 -0.746 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.097 -0.472 -1.498 1.00 0.10 C ATOM 0 H TRP A 80 7.716 1.505 3.865 1.00 0.10 H new ATOM 0 HA TRP A 80 5.061 2.395 4.568 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.033 3.491 2.766 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.842 2.051 2.180 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.490 3.889 1.961 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.144 2.931 -0.028 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.496 -0.071 0.868 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.386 0.767 -1.800 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.874 -1.559 -0.985 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.849 -1.135 -2.314 1.00 0.10 H new ATOM 836 N VAL A 81 5.596 -0.633 3.546 1.00 0.10 N ATOM 837 CA VAL A 81 5.041 -1.958 3.368 1.00 0.11 C ATOM 838 C VAL A 81 4.276 -2.375 4.617 1.00 0.11 C ATOM 839 O VAL A 81 3.082 -2.664 4.571 1.00 0.11 O ATOM 840 CB VAL A 81 6.180 -2.967 3.051 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.896 -4.363 3.573 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.441 -3.023 1.554 1.00 0.14 C ATOM 0 H VAL A 81 6.614 -0.607 3.493 1.00 0.10 H new ATOM 0 HA VAL A 81 4.345 -1.949 2.529 1.00 0.11 H new ATOM 0 HB VAL A 81 7.067 -2.602 3.568 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.727 -5.022 3.321 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.775 -4.329 4.656 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.981 -4.743 3.118 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.241 -3.734 1.351 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.534 -3.340 1.038 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.735 -2.035 1.199 1.00 0.14 H new ATOM 852 N MET A 82 4.964 -2.378 5.737 1.00 0.11 N ATOM 853 CA MET A 82 4.343 -2.748 6.990 1.00 0.12 C ATOM 854 C MET A 82 3.373 -1.680 7.481 1.00 0.11 C ATOM 855 O MET A 82 2.584 -1.951 8.372 1.00 0.12 O ATOM 856 CB MET A 82 5.384 -3.072 8.058 1.00 0.15 C ATOM 857 CG MET A 82 6.213 -1.880 8.506 1.00 0.13 C ATOM 858 SD MET A 82 7.523 -2.339 9.658 1.00 0.49 S ATOM 859 CE MET A 82 6.584 -3.200 10.915 1.00 0.42 C ATOM 0 H MET A 82 5.951 -2.129 5.806 1.00 0.11 H new ATOM 0 HA MET A 82 3.766 -3.653 6.801 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.878 -3.494 8.926 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.054 -3.842 7.674 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.654 -1.400 7.632 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.561 -1.145 8.978 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.166 -3.248 11.835 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.652 -2.666 11.103 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.360 -4.211 10.574 1.00 0.42 H new ATOM 869 N TRP A 83 3.431 -0.464 6.932 1.00 0.09 N ATOM 870 CA TRP A 83 2.532 0.588 7.396 1.00 0.09 C ATOM 871 C TRP A 83 1.078 0.310 7.005 1.00 0.09 C ATOM 872 O TRP A 83 0.229 0.164 7.874 1.00 0.11 O ATOM 873 CB TRP A 83 2.963 1.963 6.874 1.00 0.09 C ATOM 874 CG TRP A 83 2.034 3.052 7.289 1.00 0.10 C ATOM 875 CD1 TRP A 83 2.073 3.770 8.445 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.918 3.542 6.546 1.00 0.11 C ATOM 877 NE1 TRP A 83 1.047 4.679 8.464 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.324 4.558 7.308 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.368 3.219 5.305 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.794 5.252 6.870 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.740 3.907 4.872 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.308 4.913 5.650 1.00 0.15 C ATOM 0 H TRP A 83 4.072 -0.191 6.187 1.00 0.09 H new ATOM 0 HA TRP A 83 2.594 0.594 8.484 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.966 2.188 7.238 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.018 1.933 5.786 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.803 3.642 9.230 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.854 5.339 9.218 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.805 2.442 4.696 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.241 6.031 7.470 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.177 3.664 3.915 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.176 5.438 5.280 1.00 0.15 H new ATOM 893 N ALA A 84 0.775 0.216 5.716 1.00 0.09 N ATOM 894 CA ALA A 84 -0.612 -0.026 5.311 1.00 0.10 C ATOM 895 C ALA A 84 -1.071 -1.344 5.910 1.00 0.10 C ATOM 896 O ALA A 84 -2.213 -1.504 6.352 1.00 0.12 O ATOM 897 CB ALA A 84 -0.762 -0.029 3.798 1.00 0.12 C ATOM 0 H ALA A 84 1.444 0.300 4.951 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.239 0.784 5.684 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.804 -0.212 3.536 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.452 0.937 3.400 1.00 0.12 H new ATOM 0 HB3 ALA A 84 -0.138 -0.815 3.372 1.00 0.12 H new ATOM 903 N VAL A 85 -0.123 -2.261 5.958 1.00 0.10 N ATOM 904 CA VAL A 85 -0.285 -3.532 6.623 1.00 0.11 C ATOM 905 C VAL A 85 -0.651 -3.362 8.105 1.00 0.13 C ATOM 906 O VAL A 85 -1.626 -3.945 8.566 1.00 0.14 O ATOM 907 CB VAL A 85 1.023 -4.348 6.459 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.206 -5.392 7.549 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.047 -5.012 5.094 1.00 0.14 C ATOM 0 H VAL A 85 0.794 -2.138 5.528 1.00 0.10 H new ATOM 0 HA VAL A 85 -1.114 -4.069 6.163 1.00 0.11 H new ATOM 0 HB VAL A 85 1.853 -3.647 6.549 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.138 -5.932 7.383 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.240 -4.901 8.521 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.371 -6.093 7.525 1.00 0.15 H new ATOM 0 HG21 VAL A 85 1.968 -5.584 4.984 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.191 -5.680 4.999 1.00 0.14 H new ATOM 0 HG23 VAL A 85 0.999 -4.249 4.317 1.00 0.14 H new ATOM 919 N ASN A 86 0.109 -2.570 8.853 1.00 0.15 N ATOM 920 CA ASN A 86 -0.111 -2.471 10.293 1.00 0.19 C ATOM 921 C ASN A 86 -1.363 -1.666 10.638 1.00 0.23 C ATOM 922 O ASN A 86 -1.935 -1.846 11.710 1.00 0.27 O ATOM 923 CB ASN A 86 1.132 -1.948 11.035 1.00 0.23 C ATOM 924 CG ASN A 86 1.150 -0.451 11.299 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.664 -0.005 12.321 1.00 0.61 O ATOM 926 ND2 ASN A 86 0.624 0.329 10.383 1.00 0.32 N ATOM 0 H ASN A 86 0.872 -1.995 8.495 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.288 -3.487 10.647 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.211 -2.469 11.989 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.017 -2.208 10.455 1.00 0.23 H new ATOM 0 HD21 ASN A 86 0.634 1.341 10.508 1.00 0.32 H new ATOM 0 HD22 ASN A 86 0.205 -0.077 9.546 1.00 0.32 H new ATOM 933 N GLU A 87 -1.815 -0.811 9.720 1.00 0.24 N ATOM 934 CA GLU A 87 -3.008 -0.012 9.969 1.00 0.31 C ATOM 935 C GLU A 87 -4.204 -0.934 9.862 1.00 0.28 C ATOM 936 O GLU A 87 -5.180 -0.824 10.604 1.00 0.35 O ATOM 937 CB GLU A 87 -3.147 1.127 8.952 1.00 0.38 C ATOM 938 CG GLU A 87 -1.960 2.076 8.908 1.00 1.23 C ATOM 939 CD GLU A 87 -1.771 2.849 10.199 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.668 3.640 10.561 1.00 1.08 O ATOM 941 OE2 GLU A 87 -0.723 2.674 10.852 1.00 2.15 O ATOM 0 H GLU A 87 -1.378 -0.657 8.811 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.940 0.441 10.958 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -3.290 0.697 7.961 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -4.045 1.698 9.185 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -1.055 1.507 8.696 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -2.094 2.779 8.086 1.00 1.23 H new ATOM 948 N PHE A 88 -4.083 -1.865 8.928 1.00 0.23 N ATOM 949 CA PHE A 88 -5.062 -2.920 8.737 1.00 0.23 C ATOM 950 C PHE A 88 -4.839 -4.060 9.720 1.00 0.25 C ATOM 951 O PHE A 88 -5.558 -5.060 9.710 1.00 0.30 O ATOM 952 CB PHE A 88 -4.967 -3.443 7.315 1.00 0.24 C ATOM 953 CG PHE A 88 -5.827 -2.667 6.374 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.180 -2.948 6.272 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.296 -1.651 5.608 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.990 -2.221 5.425 1.00 0.47 C ATOM 957 CE2 PHE A 88 -6.097 -0.925 4.759 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.446 -1.209 4.664 1.00 0.45 C ATOM 0 H PHE A 88 -3.298 -1.909 8.278 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.055 -2.507 8.916 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.931 -3.397 6.980 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.262 -4.492 7.294 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.605 -3.746 6.863 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.242 -1.424 5.676 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -9.045 -2.444 5.358 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.671 -0.130 4.165 1.00 0.50 H new ATOM 0 HZ PHE A 88 -8.073 -0.639 3.994 1.00 0.45 H new ATOM 968 N SER A 89 -3.841 -3.876 10.582 1.00 0.27 N ATOM 969 CA SER A 89 -3.416 -4.893 11.532 1.00 0.34 C ATOM 970 C SER A 89 -3.156 -6.234 10.844 1.00 0.36 C ATOM 971 O SER A 89 -3.485 -7.290 11.385 1.00 0.48 O ATOM 972 CB SER A 89 -4.463 -5.047 12.641 1.00 0.45 C ATOM 973 OG SER A 89 -4.701 -3.806 13.285 1.00 1.07 O ATOM 0 H SER A 89 -3.304 -3.011 10.639 1.00 0.27 H new ATOM 0 HA SER A 89 -2.475 -4.568 11.975 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.393 -5.427 12.219 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.121 -5.781 13.371 1.00 0.45 H new ATOM 0 HG SER A 89 -5.373 -3.926 13.988 1.00 1.07 H new ATOM 979 N LEU A 90 -2.544 -6.196 9.664 1.00 0.31 N ATOM 980 CA LEU A 90 -2.291 -7.410 8.916 1.00 0.40 C ATOM 981 C LEU A 90 -1.131 -8.148 9.547 1.00 0.59 C ATOM 982 O LEU A 90 -1.213 -9.351 9.794 1.00 1.23 O ATOM 983 CB LEU A 90 -1.952 -7.062 7.464 1.00 0.33 C ATOM 984 CG LEU A 90 -2.909 -6.070 6.803 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.478 -5.779 5.380 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.328 -6.620 6.825 1.00 0.27 C ATOM 0 H LEU A 90 -2.218 -5.341 9.213 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.180 -8.041 8.932 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.943 -6.650 7.430 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.941 -7.981 6.878 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.884 -5.136 7.365 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.172 -5.071 4.927 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.475 -5.352 5.384 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.476 -6.704 4.804 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -5.002 -5.906 6.352 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.361 -7.565 6.282 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.639 -6.784 7.857 1.00 0.27 H new ATOM 998 N LYS A 91 -0.085 -7.370 9.848 1.00 0.24 N ATOM 999 CA LYS A 91 1.102 -7.816 10.576 1.00 0.39 C ATOM 1000 C LYS A 91 1.486 -9.269 10.299 1.00 0.26 C ATOM 1001 O LYS A 91 1.889 -9.995 11.208 1.00 0.39 O ATOM 1002 CB LYS A 91 0.915 -7.569 12.072 1.00 0.78 C ATOM 1003 CG LYS A 91 0.814 -6.086 12.408 1.00 1.31 C ATOM 1004 CD LYS A 91 0.513 -5.839 13.880 1.00 1.49 C ATOM 1005 CE LYS A 91 -0.881 -6.310 14.261 1.00 1.91 C ATOM 1006 NZ LYS A 91 -1.281 -5.817 15.606 1.00 2.48 N ATOM 0 H LYS A 91 -0.043 -6.386 9.583 1.00 0.24 H new ATOM 0 HA LYS A 91 1.939 -7.223 10.208 1.00 0.39 H new ATOM 0 HB2 LYS A 91 0.013 -8.078 12.411 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.752 -8.006 12.617 1.00 0.78 H new ATOM 0 HG2 LYS A 91 1.750 -5.593 12.144 1.00 1.31 H new ATOM 0 HG3 LYS A 91 0.032 -5.632 11.800 1.00 1.31 H new ATOM 0 HD2 LYS A 91 1.251 -6.356 14.493 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.608 -4.775 14.096 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -1.598 -5.962 13.518 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -0.913 -7.399 14.249 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -2.237 -6.159 15.831 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -0.611 -6.170 16.319 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -1.275 -4.777 15.610 1.00 2.48 H new ATOM 1020 N GLY A 92 1.380 -9.682 9.047 1.00 0.26 N ATOM 1021 CA GLY A 92 1.788 -11.009 8.653 1.00 0.31 C ATOM 1022 C GLY A 92 2.436 -10.959 7.292 1.00 0.31 C ATOM 1023 O GLY A 92 2.189 -11.801 6.432 1.00 0.47 O ATOM 0 H GLY A 92 1.012 -9.110 8.287 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.486 -11.417 9.384 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.924 -11.674 8.631 1.00 0.31 H new ATOM 1027 N VAL A 93 3.245 -9.929 7.104 1.00 0.21 N ATOM 1028 CA VAL A 93 3.929 -9.688 5.852 1.00 0.21 C ATOM 1029 C VAL A 93 5.307 -10.316 5.898 1.00 0.20 C ATOM 1030 O VAL A 93 6.028 -10.181 6.889 1.00 0.22 O ATOM 1031 CB VAL A 93 4.005 -8.166 5.559 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.406 -7.711 5.186 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.047 -7.820 4.440 1.00 0.23 C ATOM 0 H VAL A 93 3.444 -9.234 7.823 1.00 0.21 H new ATOM 0 HA VAL A 93 3.369 -10.148 5.038 1.00 0.21 H new ATOM 0 HB VAL A 93 3.729 -7.645 6.476 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.401 -6.638 4.992 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.090 -7.928 6.007 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.734 -8.240 4.291 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.100 -6.751 4.233 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.319 -8.377 3.543 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.031 -8.083 4.736 1.00 0.23 H new ATOM 1043 N ASP A 94 5.662 -11.028 4.844 1.00 0.21 N ATOM 1044 CA ASP A 94 6.966 -11.643 4.786 1.00 0.24 C ATOM 1045 C ASP A 94 7.950 -10.596 4.323 1.00 0.21 C ATOM 1046 O ASP A 94 8.046 -10.306 3.132 1.00 0.20 O ATOM 1047 CB ASP A 94 6.975 -12.852 3.844 1.00 0.32 C ATOM 1048 CG ASP A 94 8.263 -13.648 3.942 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.238 -13.298 3.254 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.302 -14.630 4.717 1.00 1.10 O ATOM 0 H ASP A 94 5.071 -11.191 4.029 1.00 0.21 H new ATOM 0 HA ASP A 94 7.242 -12.014 5.773 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.131 -13.500 4.080 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.838 -12.511 2.818 1.00 0.32 H new ATOM 1055 N PHE A 95 8.654 -10.005 5.275 1.00 0.23 N ATOM 1056 CA PHE A 95 9.528 -8.880 4.992 1.00 0.24 C ATOM 1057 C PHE A 95 10.620 -9.282 4.013 1.00 0.23 C ATOM 1058 O PHE A 95 11.216 -8.438 3.349 1.00 0.28 O ATOM 1059 CB PHE A 95 10.155 -8.344 6.280 1.00 0.29 C ATOM 1060 CG PHE A 95 9.150 -7.860 7.288 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.569 -6.607 7.163 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.791 -8.656 8.362 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.646 -6.163 8.089 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.868 -8.215 9.290 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.289 -6.963 9.146 1.00 0.61 C ATOM 0 H PHE A 95 8.636 -10.288 6.255 1.00 0.23 H new ATOM 0 HA PHE A 95 8.925 -8.091 4.542 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.760 -9.129 6.733 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.830 -7.525 6.031 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.841 -5.972 6.333 1.00 0.55 H new ATOM 0 HD2 PHE A 95 9.238 -9.633 8.476 1.00 0.41 H new ATOM 0 HE1 PHE A 95 7.204 -5.184 7.981 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.598 -8.844 10.126 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.559 -6.618 9.864 1.00 0.61 H new ATOM 1075 N GLN A 96 10.863 -10.581 3.926 1.00 0.21 N ATOM 1076 CA GLN A 96 11.876 -11.117 3.026 1.00 0.24 C ATOM 1077 C GLN A 96 11.359 -11.136 1.596 1.00 0.21 C ATOM 1078 O GLN A 96 12.111 -10.913 0.645 1.00 0.25 O ATOM 1079 CB GLN A 96 12.290 -12.529 3.446 1.00 0.33 C ATOM 1080 CG GLN A 96 13.015 -12.591 4.784 1.00 1.06 C ATOM 1081 CD GLN A 96 14.238 -11.685 4.853 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.903 -11.475 3.723 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 14.589 -11.186 5.924 1.00 1.93 N flip ATOM 0 H GLN A 96 10.370 -11.288 4.471 1.00 0.21 H new ATOM 0 HA GLN A 96 12.750 -10.468 3.081 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.401 -13.157 3.497 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.935 -12.952 2.675 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.321 -12.313 5.578 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.323 -13.619 4.975 1.00 1.06 H new ATOM 0 HE21 GLN A 96 14.053 -11.370 6.772 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.415 -10.589 5.962 1.00 1.93 H new ATOM 1092 N LYS A 97 10.072 -11.396 1.445 1.00 0.18 N ATOM 1093 CA LYS A 97 9.454 -11.355 0.139 1.00 0.19 C ATOM 1094 C LYS A 97 9.304 -9.896 -0.250 1.00 0.17 C ATOM 1095 O LYS A 97 9.376 -9.534 -1.421 1.00 0.20 O ATOM 1096 CB LYS A 97 8.090 -12.055 0.159 1.00 0.23 C ATOM 1097 CG LYS A 97 7.809 -12.910 -1.071 1.00 0.26 C ATOM 1098 CD LYS A 97 7.801 -12.089 -2.352 1.00 0.25 C ATOM 1099 CE LYS A 97 7.625 -12.971 -3.582 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.679 -14.019 -3.673 1.00 1.43 N ATOM 0 H LYS A 97 9.440 -11.636 2.209 1.00 0.18 H new ATOM 0 HA LYS A 97 10.072 -11.880 -0.589 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.030 -12.685 1.047 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.308 -11.301 0.250 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.564 -13.692 -1.148 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.846 -13.407 -0.954 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.995 -11.356 -2.310 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.734 -11.532 -2.434 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.644 -13.445 -3.551 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.651 -12.352 -4.479 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.716 -14.391 -4.643 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.601 -13.607 -3.425 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.457 -14.792 -3.014 1.00 1.43 H new ATOM 1114 N PHE A 98 9.179 -9.063 0.775 1.00 0.16 N ATOM 1115 CA PHE A 98 9.009 -7.633 0.608 1.00 0.16 C ATOM 1116 C PHE A 98 10.348 -6.913 0.563 1.00 0.20 C ATOM 1117 O PHE A 98 10.422 -5.700 0.775 1.00 0.22 O ATOM 1118 CB PHE A 98 8.170 -7.078 1.743 1.00 0.15 C ATOM 1119 CG PHE A 98 6.703 -7.180 1.480 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.026 -6.183 0.801 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.999 -8.279 1.929 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.673 -6.291 0.574 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.650 -8.395 1.702 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.991 -7.337 0.962 1.00 0.12 C ATOM 0 H PHE A 98 9.193 -9.366 1.749 1.00 0.16 H new ATOM 0 HA PHE A 98 8.502 -7.465 -0.342 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.408 -7.615 2.661 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.434 -6.033 1.907 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.562 -5.315 0.447 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.517 -9.059 2.467 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.161 -5.490 0.062 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.096 -9.249 2.064 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.939 -7.413 0.732 1.00 0.12 H new ATOM 1134 N CYS A 99 11.405 -7.663 0.304 1.00 0.26 N ATOM 1135 CA CYS A 99 12.721 -7.084 0.144 1.00 0.31 C ATOM 1136 C CYS A 99 12.833 -6.380 -1.195 1.00 0.23 C ATOM 1137 O CYS A 99 13.372 -6.928 -2.161 1.00 0.27 O ATOM 1138 CB CYS A 99 13.785 -8.164 0.241 1.00 0.45 C ATOM 1139 SG CYS A 99 14.207 -8.643 1.933 1.00 1.20 S ATOM 0 H CYS A 99 11.374 -8.677 0.200 1.00 0.26 H new ATOM 0 HA CYS A 99 12.873 -6.356 0.941 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.441 -9.046 -0.299 1.00 0.45 H new ATOM 0 HB3 CYS A 99 14.687 -7.815 -0.261 1.00 0.45 H new ATOM 0 HG CYS A 99 13.178 -8.460 2.705 1.00 1.20 H new ATOM 1145 N MET A 100 12.317 -5.169 -1.247 1.00 0.19 N ATOM 1146 CA MET A 100 12.442 -4.349 -2.425 1.00 0.16 C ATOM 1147 C MET A 100 13.177 -3.073 -2.109 1.00 0.17 C ATOM 1148 O MET A 100 12.933 -2.430 -1.090 1.00 0.20 O ATOM 1149 CB MET A 100 11.081 -3.969 -3.020 1.00 0.22 C ATOM 1150 CG MET A 100 10.422 -5.056 -3.839 1.00 0.22 C ATOM 1151 SD MET A 100 9.489 -6.215 -2.821 1.00 0.13 S ATOM 1152 CE MET A 100 8.291 -5.116 -2.070 1.00 0.18 C ATOM 0 H MET A 100 11.805 -4.733 -0.480 1.00 0.19 H new ATOM 0 HA MET A 100 12.994 -4.946 -3.151 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.411 -3.688 -2.208 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.208 -3.087 -3.648 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.755 -4.601 -4.571 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.185 -5.599 -4.397 1.00 0.22 H new ATOM 0 HE1 MET A 100 7.291 -5.532 -2.190 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.513 -5.006 -1.009 1.00 0.18 H new ATOM 0 HE3 MET A 100 8.339 -4.140 -2.554 1.00 0.18 H new ATOM 1162 N SER A 101 14.090 -2.728 -2.981 1.00 0.16 N ATOM 1163 CA SER A 101 14.529 -1.365 -3.086 1.00 0.18 C ATOM 1164 C SER A 101 13.437 -0.674 -3.883 1.00 0.14 C ATOM 1165 O SER A 101 12.690 -1.358 -4.567 1.00 0.15 O ATOM 1166 CB SER A 101 15.891 -1.279 -3.790 1.00 0.24 C ATOM 1167 OG SER A 101 16.373 0.057 -3.845 1.00 1.26 O ATOM 0 H SER A 101 14.542 -3.374 -3.628 1.00 0.16 H new ATOM 0 HA SER A 101 14.677 -0.897 -2.113 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.612 -1.904 -3.264 1.00 0.24 H new ATOM 0 HB3 SER A 101 15.803 -1.676 -4.801 1.00 0.24 H new ATOM 0 HG SER A 101 15.770 0.643 -3.342 1.00 1.26 H new ATOM 1173 N GLY A 102 13.287 0.626 -3.769 1.00 0.13 N ATOM 1174 CA GLY A 102 12.217 1.306 -4.469 1.00 0.14 C ATOM 1175 C GLY A 102 12.135 0.933 -5.939 1.00 0.14 C ATOM 1176 O GLY A 102 11.049 0.685 -6.459 1.00 0.16 O ATOM 0 H GLY A 102 13.885 1.230 -3.205 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.268 1.070 -3.987 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.360 2.383 -4.381 1.00 0.14 H new ATOM 1180 N ALA A 103 13.273 0.871 -6.616 1.00 0.17 N ATOM 1181 CA ALA A 103 13.287 0.479 -8.016 1.00 0.21 C ATOM 1182 C ALA A 103 12.701 -0.919 -8.187 1.00 0.21 C ATOM 1183 O ALA A 103 12.007 -1.200 -9.161 1.00 0.25 O ATOM 1184 CB ALA A 103 14.702 0.544 -8.570 1.00 0.26 C ATOM 0 H ALA A 103 14.189 1.085 -6.223 1.00 0.17 H new ATOM 0 HA ALA A 103 12.667 1.177 -8.578 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.696 0.248 -9.619 1.00 0.26 H new ATOM 0 HB2 ALA A 103 15.080 1.562 -8.483 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.345 -0.132 -8.006 1.00 0.26 H new ATOM 1190 N ALA A 104 12.981 -1.784 -7.224 1.00 0.19 N ATOM 1191 CA ALA A 104 12.415 -3.121 -7.200 1.00 0.20 C ATOM 1192 C ALA A 104 10.935 -3.060 -6.858 1.00 0.16 C ATOM 1193 O ALA A 104 10.122 -3.734 -7.491 1.00 0.17 O ATOM 1194 CB ALA A 104 13.155 -3.992 -6.198 1.00 0.22 C ATOM 0 H ALA A 104 13.603 -1.579 -6.442 1.00 0.19 H new ATOM 0 HA ALA A 104 12.526 -3.564 -8.190 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.719 -4.991 -6.192 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.206 -4.057 -6.479 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.072 -3.554 -5.203 1.00 0.22 H new ATOM 1200 N LEU A 105 10.594 -2.259 -5.841 1.00 0.12 N ATOM 1201 CA LEU A 105 9.207 -1.990 -5.477 1.00 0.09 C ATOM 1202 C LEU A 105 8.374 -1.625 -6.688 1.00 0.12 C ATOM 1203 O LEU A 105 7.237 -2.028 -6.835 1.00 0.13 O ATOM 1204 CB LEU A 105 9.135 -0.824 -4.490 1.00 0.09 C ATOM 1205 CG LEU A 105 7.725 -0.542 -4.003 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.237 -1.693 -3.152 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.657 0.756 -3.235 1.00 0.14 C ATOM 0 H LEU A 105 11.275 -1.782 -5.251 1.00 0.12 H new ATOM 0 HA LEU A 105 8.813 -2.902 -5.028 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.772 -1.041 -3.633 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.535 0.072 -4.965 1.00 0.09 H new ATOM 0 HG LEU A 105 7.075 -0.441 -4.872 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.225 -1.485 -2.805 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.237 -2.609 -3.744 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.897 -1.816 -2.293 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.634 0.928 -2.901 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.317 0.702 -2.369 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.971 1.577 -3.880 1.00 0.14 H new ATOM 1219 N CYS A 106 8.933 -0.773 -7.483 1.00 0.21 N ATOM 1220 CA CYS A 106 8.330 -0.378 -8.730 1.00 0.31 C ATOM 1221 C CYS A 106 8.327 -1.506 -9.761 1.00 0.34 C ATOM 1222 O CYS A 106 7.276 -1.845 -10.310 1.00 0.40 O ATOM 1223 CB CYS A 106 9.066 0.838 -9.264 1.00 0.39 C ATOM 1224 SG CYS A 106 8.765 1.198 -11.010 1.00 0.74 S ATOM 0 H CYS A 106 9.828 -0.323 -7.291 1.00 0.21 H new ATOM 0 HA CYS A 106 7.284 -0.133 -8.544 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.779 1.708 -8.673 1.00 0.39 H new ATOM 0 HB3 CYS A 106 10.136 0.692 -9.117 1.00 0.39 H new ATOM 0 HG CYS A 106 9.719 1.953 -11.468 1.00 0.74 H new ATOM 1230 N ALA A 107 9.503 -2.070 -10.026 1.00 0.33 N ATOM 1231 CA ALA A 107 9.680 -3.077 -11.071 1.00 0.41 C ATOM 1232 C ALA A 107 8.705 -4.250 -10.982 1.00 0.38 C ATOM 1233 O ALA A 107 8.342 -4.817 -12.016 1.00 0.46 O ATOM 1234 CB ALA A 107 11.104 -3.604 -11.042 1.00 0.47 C ATOM 0 H ALA A 107 10.360 -1.842 -9.523 1.00 0.33 H new ATOM 0 HA ALA A 107 9.468 -2.571 -12.013 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.230 -4.354 -11.823 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.800 -2.782 -11.212 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.306 -4.054 -10.070 1.00 0.47 H new ATOM 1240 N LEU A 108 8.295 -4.634 -9.775 1.00 0.29 N ATOM 1241 CA LEU A 108 7.412 -5.787 -9.616 1.00 0.26 C ATOM 1242 C LEU A 108 6.085 -5.607 -10.363 1.00 0.26 C ATOM 1243 O LEU A 108 5.604 -6.536 -11.015 1.00 0.28 O ATOM 1244 CB LEU A 108 7.181 -6.128 -8.123 1.00 0.21 C ATOM 1245 CG LEU A 108 6.984 -4.955 -7.148 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.641 -4.256 -7.350 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.116 -5.453 -5.720 1.00 0.19 C ATOM 0 H LEU A 108 8.555 -4.171 -8.904 1.00 0.29 H new ATOM 0 HA LEU A 108 7.920 -6.637 -10.072 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.303 -6.771 -8.057 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.032 -6.714 -7.776 1.00 0.21 H new ATOM 0 HG LEU A 108 7.759 -4.216 -7.352 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.548 -3.435 -6.639 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.584 -3.865 -8.366 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.832 -4.969 -7.189 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.976 -4.621 -5.030 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.359 -6.214 -5.529 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.107 -5.882 -5.575 1.00 0.19 H new ATOM 1259 N GLY A 109 5.511 -4.413 -10.304 1.00 0.27 N ATOM 1260 CA GLY A 109 4.199 -4.199 -10.883 1.00 0.32 C ATOM 1261 C GLY A 109 3.115 -4.868 -10.056 1.00 0.27 C ATOM 1262 O GLY A 109 3.417 -5.687 -9.184 1.00 0.23 O ATOM 0 H GLY A 109 5.928 -3.591 -9.867 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.999 -3.130 -10.951 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.179 -4.593 -11.899 1.00 0.32 H new ATOM 1266 N LYS A 110 1.860 -4.504 -10.307 1.00 0.33 N ATOM 1267 CA LYS A 110 0.734 -5.086 -9.580 1.00 0.36 C ATOM 1268 C LYS A 110 0.840 -6.600 -9.516 1.00 0.26 C ATOM 1269 O LYS A 110 0.785 -7.184 -8.435 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.595 -4.706 -10.221 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.774 -4.963 -9.301 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.733 -6.008 -9.848 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.179 -7.437 -9.785 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.144 -8.429 -10.331 1.00 0.67 N ATOM 0 H LYS A 110 1.597 -3.810 -11.007 1.00 0.33 H new ATOM 0 HA LYS A 110 0.771 -4.683 -8.568 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -0.575 -3.651 -10.496 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.726 -5.273 -11.143 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -1.405 -5.289 -8.328 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -2.314 -4.030 -9.141 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -3.666 -5.963 -9.286 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -2.972 -5.764 -10.883 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.246 -7.490 -10.347 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -1.943 -7.690 -8.751 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -2.733 -9.382 -10.271 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.025 -8.396 -9.779 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.349 -8.203 -11.325 1.00 0.67 H new ATOM 1288 N GLU A 111 0.983 -7.221 -10.681 1.00 0.25 N ATOM 1289 CA GLU A 111 1.034 -8.673 -10.796 1.00 0.31 C ATOM 1290 C GLU A 111 1.974 -9.277 -9.764 1.00 0.27 C ATOM 1291 O GLU A 111 1.557 -10.067 -8.923 1.00 0.39 O ATOM 1292 CB GLU A 111 1.494 -9.063 -12.197 1.00 0.48 C ATOM 1293 CG GLU A 111 1.505 -10.559 -12.448 1.00 1.39 C ATOM 1294 CD GLU A 111 2.332 -10.922 -13.659 1.00 1.95 C ATOM 1295 OE1 GLU A 111 1.798 -10.863 -14.783 1.00 2.54 O ATOM 1296 OE2 GLU A 111 3.512 -11.287 -13.499 1.00 2.46 O ATOM 0 H GLU A 111 1.067 -6.732 -11.572 1.00 0.25 H new ATOM 0 HA GLU A 111 0.032 -9.062 -10.614 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.841 -8.587 -12.928 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.497 -8.670 -12.362 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.901 -11.071 -11.571 1.00 1.39 H new ATOM 0 HG3 GLU A 111 0.483 -10.911 -12.588 1.00 1.39 H new ATOM 1303 N CYS A 112 3.227 -8.864 -9.811 1.00 0.21 N ATOM 1304 CA CYS A 112 4.235 -9.433 -8.944 1.00 0.18 C ATOM 1305 C CYS A 112 3.967 -9.057 -7.495 1.00 0.15 C ATOM 1306 O CYS A 112 4.022 -9.914 -6.630 1.00 0.17 O ATOM 1307 CB CYS A 112 5.635 -8.996 -9.369 1.00 0.21 C ATOM 1308 SG CYS A 112 6.977 -9.907 -8.572 1.00 1.36 S ATOM 0 H CYS A 112 3.568 -8.137 -10.440 1.00 0.21 H new ATOM 0 HA CYS A 112 4.184 -10.518 -9.032 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.726 -9.111 -10.449 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.753 -7.935 -9.150 1.00 0.21 H new ATOM 0 HG CYS A 112 8.120 -9.461 -9.002 1.00 1.36 H new ATOM 1314 N PHE A 113 3.668 -7.781 -7.232 1.00 0.13 N ATOM 1315 CA PHE A 113 3.388 -7.327 -5.871 1.00 0.12 C ATOM 1316 C PHE A 113 2.279 -8.149 -5.205 1.00 0.13 C ATOM 1317 O PHE A 113 2.400 -8.557 -4.055 1.00 0.14 O ATOM 1318 CB PHE A 113 3.006 -5.838 -5.852 1.00 0.12 C ATOM 1319 CG PHE A 113 3.276 -5.190 -4.522 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.473 -5.453 -3.415 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.311 -4.284 -4.389 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.712 -4.821 -2.215 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.544 -3.647 -3.193 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.801 -4.078 -2.037 1.00 0.10 C ATOM 0 H PHE A 113 3.614 -7.050 -7.941 1.00 0.13 H new ATOM 0 HA PHE A 113 4.306 -7.470 -5.301 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.564 -5.313 -6.628 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.948 -5.735 -6.095 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.658 -6.157 -3.498 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.946 -4.073 -5.237 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.005 -4.930 -1.406 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.264 -2.845 -3.122 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.122 -3.803 -1.043 1.00 0.10 H new ATOM 1334 N LEU A 114 1.185 -8.380 -5.900 1.00 0.14 N ATOM 1335 CA LEU A 114 0.067 -9.080 -5.274 1.00 0.17 C ATOM 1336 C LEU A 114 0.334 -10.571 -5.239 1.00 0.22 C ATOM 1337 O LEU A 114 -0.279 -11.303 -4.468 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.257 -8.781 -5.963 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.435 -7.340 -6.441 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -2.903 -7.005 -6.572 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.760 -6.343 -5.521 1.00 0.50 C ATOM 0 H LEU A 114 1.040 -8.105 -6.872 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.019 -8.713 -4.251 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.359 -9.446 -6.821 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.068 -9.021 -5.275 1.00 0.19 H new ATOM 0 HG LEU A 114 -0.955 -7.266 -7.417 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.012 -5.976 -6.913 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.367 -7.678 -7.294 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.390 -7.120 -5.604 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -0.914 -5.334 -5.902 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.188 -6.423 -4.522 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.308 -6.555 -5.476 1.00 0.50 H new ATOM 1353 N GLU A 115 1.244 -11.017 -6.094 1.00 0.22 N ATOM 1354 CA GLU A 115 1.770 -12.367 -5.997 1.00 0.28 C ATOM 1355 C GLU A 115 2.807 -12.428 -4.874 1.00 0.27 C ATOM 1356 O GLU A 115 3.170 -13.498 -4.381 1.00 0.37 O ATOM 1357 CB GLU A 115 2.433 -12.791 -7.307 1.00 0.37 C ATOM 1358 CG GLU A 115 1.466 -13.007 -8.457 1.00 0.48 C ATOM 1359 CD GLU A 115 0.628 -14.256 -8.296 1.00 1.33 C ATOM 1360 OE1 GLU A 115 1.121 -15.355 -8.622 1.00 2.21 O ATOM 1361 OE2 GLU A 115 -0.521 -14.143 -7.820 1.00 1.81 O ATOM 0 H GLU A 115 1.631 -10.464 -6.859 1.00 0.22 H new ATOM 0 HA GLU A 115 0.942 -13.044 -5.787 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.158 -12.030 -7.596 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.989 -13.713 -7.137 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.808 -12.142 -8.539 1.00 0.48 H new ATOM 0 HG3 GLU A 115 2.027 -13.070 -9.390 1.00 0.48 H new ATOM 1368 N LEU A 116 3.256 -11.250 -4.474 1.00 0.20 N ATOM 1369 CA LEU A 116 4.348 -11.083 -3.531 1.00 0.19 C ATOM 1370 C LEU A 116 3.833 -11.109 -2.092 1.00 0.22 C ATOM 1371 O LEU A 116 4.523 -11.558 -1.176 1.00 0.26 O ATOM 1372 CB LEU A 116 5.070 -9.770 -3.871 1.00 0.15 C ATOM 1373 CG LEU A 116 5.619 -8.956 -2.706 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.006 -8.444 -3.033 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.708 -7.786 -2.392 1.00 0.16 C ATOM 0 H LEU A 116 2.864 -10.367 -4.802 1.00 0.20 H new ATOM 0 HA LEU A 116 5.055 -11.909 -3.612 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.898 -10.003 -4.540 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.378 -9.138 -4.428 1.00 0.15 H new ATOM 0 HG LEU A 116 5.670 -9.606 -1.833 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.387 -7.864 -2.193 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.670 -9.287 -3.223 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.961 -7.812 -3.920 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.119 -7.219 -1.557 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.631 -7.140 -3.267 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.718 -8.157 -2.126 1.00 0.16 H new ATOM 1387 N ALA A 117 2.607 -10.657 -1.913 1.00 0.21 N ATOM 1388 CA ALA A 117 1.946 -10.695 -0.618 1.00 0.22 C ATOM 1389 C ALA A 117 0.611 -11.403 -0.766 1.00 0.23 C ATOM 1390 O ALA A 117 0.284 -11.841 -1.864 1.00 0.26 O ATOM 1391 CB ALA A 117 1.742 -9.284 -0.083 1.00 0.22 C ATOM 0 H ALA A 117 2.040 -10.253 -2.658 1.00 0.21 H new ATOM 0 HA ALA A 117 2.570 -11.238 0.092 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.246 -9.331 0.887 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.709 -8.793 0.027 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.125 -8.717 -0.779 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.168 -11.569 0.317 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.568 -11.956 0.191 1.00 0.25 C ATOM 1399 C PRO A 118 -2.275 -11.061 -0.817 1.00 0.22 C ATOM 1400 O PRO A 118 -2.047 -9.852 -0.844 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.131 -11.716 1.586 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.968 -11.884 2.502 1.00 0.32 C ATOM 1403 CD PRO A 118 0.250 -11.448 1.731 1.00 0.29 C ATOM 0 HA PRO A 118 -1.696 -12.982 -0.154 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.561 -10.718 1.672 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.924 -12.426 1.820 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.093 -11.282 3.402 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.873 -12.921 2.823 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.535 -10.425 1.978 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.110 -12.081 1.950 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.118 -11.658 -1.644 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.767 -10.950 -2.753 1.00 0.32 C ATOM 1413 C ASP A 119 -4.530 -9.704 -2.306 1.00 0.31 C ATOM 1414 O ASP A 119 -4.819 -8.838 -3.131 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.705 -11.879 -3.534 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.855 -12.416 -2.704 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.893 -11.730 -2.609 1.00 1.26 O ATOM 1418 OD2 ASP A 119 -5.730 -13.527 -2.143 1.00 0.95 O ATOM 0 H ASP A 119 -3.376 -12.642 -1.572 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.958 -10.620 -3.405 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.107 -11.339 -4.391 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.129 -12.717 -3.927 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.858 -9.599 -1.020 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.528 -8.413 -0.515 1.00 0.32 C ATOM 1425 C PHE A 120 -4.488 -7.406 -0.067 1.00 0.22 C ATOM 1426 O PHE A 120 -4.572 -6.217 -0.351 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.446 -8.752 0.656 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.587 -7.793 0.813 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.358 -6.431 0.899 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -8.887 -8.257 0.871 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.404 -5.547 1.038 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -9.938 -7.376 1.012 1.00 1.97 C ATOM 1433 CZ PHE A 120 -9.694 -6.021 1.095 1.00 1.86 C ATOM 0 H PHE A 120 -4.671 -10.315 -0.318 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.139 -7.995 -1.315 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -6.843 -9.758 0.518 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -5.861 -8.763 1.576 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -6.346 -6.057 0.857 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -9.081 -9.317 0.805 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.213 -4.486 1.102 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -10.951 -7.746 1.057 1.00 1.97 H new ATOM 0 HZ PHE A 120 -10.517 -5.331 1.205 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.497 -7.922 0.628 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.472 -7.121 1.256 1.00 0.17 C ATOM 1445 C VAL A 121 -1.541 -6.536 0.228 1.00 0.15 C ATOM 1446 O VAL A 121 -1.133 -5.380 0.332 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.689 -7.986 2.236 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.585 -7.193 2.910 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.665 -8.558 3.238 1.00 0.22 C ATOM 0 H VAL A 121 -3.380 -8.925 0.774 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.947 -6.297 1.789 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.195 -8.800 1.705 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.045 -7.838 3.603 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.104 -6.814 2.155 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.020 -6.356 3.457 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.129 -9.183 3.952 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.161 -7.745 3.768 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.410 -9.160 2.718 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.203 -7.341 -0.765 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.448 -6.844 -1.876 1.00 0.19 C ATOM 1461 C GLY A 122 -1.166 -5.701 -2.537 1.00 0.16 C ATOM 1462 O GLY A 122 -0.548 -4.713 -2.870 1.00 0.14 O ATOM 0 H GLY A 122 -1.442 -8.331 -0.815 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.534 -6.515 -1.537 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.285 -7.644 -2.598 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.483 -5.831 -2.700 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.292 -4.817 -3.367 1.00 0.19 C ATOM 1468 C ASP A 123 -3.470 -3.602 -2.465 1.00 0.13 C ATOM 1469 O ASP A 123 -3.462 -2.472 -2.930 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.653 -5.405 -3.747 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.468 -4.493 -4.642 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.167 -4.413 -5.848 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.380 -3.811 -4.127 1.00 1.07 O ATOM 0 H ASP A 123 -3.014 -6.639 -2.374 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.780 -4.497 -4.275 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.501 -6.359 -4.253 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.219 -5.612 -2.839 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.647 -3.849 -1.173 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.654 -2.785 -0.176 1.00 0.10 C ATOM 1480 C ILE A 124 -2.359 -1.982 -0.232 1.00 0.09 C ATOM 1481 O ILE A 124 -2.373 -0.753 -0.350 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.896 -3.364 1.245 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.369 -3.219 1.618 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.032 -2.675 2.300 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.764 -4.011 2.849 1.00 0.22 C ATOM 0 H ILE A 124 -3.789 -4.783 -0.789 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.476 -2.107 -0.405 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.617 -4.417 1.222 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.590 -2.165 1.788 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.982 -3.542 0.776 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.234 -3.112 3.278 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -1.979 -2.810 2.053 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.265 -1.611 2.323 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.824 -3.860 3.054 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.575 -5.070 2.676 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.177 -3.673 3.703 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.244 -2.677 -0.154 1.00 0.08 N ATOM 1498 CA LEU A 125 0.041 -2.047 -0.300 1.00 0.08 C ATOM 1499 C LEU A 125 0.200 -1.467 -1.691 1.00 0.09 C ATOM 1500 O LEU A 125 0.687 -0.358 -1.845 1.00 0.10 O ATOM 1501 CB LEU A 125 1.133 -3.050 0.026 1.00 0.08 C ATOM 1502 CG LEU A 125 1.540 -3.034 1.485 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.465 -4.191 1.804 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.197 -1.703 1.802 1.00 0.09 C ATOM 0 H LEU A 125 -1.207 -3.683 0.011 1.00 0.08 H new ATOM 0 HA LEU A 125 0.121 -1.215 0.399 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.790 -4.050 -0.238 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.007 -2.840 -0.591 1.00 0.08 H new ATOM 0 HG LEU A 125 0.653 -3.152 2.108 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.742 -4.156 2.858 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.957 -5.132 1.594 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.363 -4.119 1.190 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.493 -1.684 2.851 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.078 -1.574 1.174 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.492 -0.894 1.609 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.262 -2.197 -2.688 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.206 -1.733 -4.065 1.00 0.10 C ATOM 1518 C TRP A 126 -0.996 -0.440 -4.235 1.00 0.11 C ATOM 1519 O TRP A 126 -0.571 0.447 -4.968 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.717 -2.799 -5.040 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.837 -2.278 -6.429 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.988 -2.055 -7.116 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.237 -1.884 -7.289 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.700 -1.513 -8.349 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.336 -1.406 -8.478 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.628 -1.881 -7.162 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.439 -0.928 -9.534 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.393 -1.412 -8.210 1.00 0.22 C ATOM 1529 CH2 TRP A 126 1.797 -0.938 -9.382 1.00 0.25 C ATOM 0 H TRP A 126 -0.683 -3.119 -2.571 1.00 0.09 H new ATOM 0 HA TRP A 126 0.840 -1.537 -4.299 1.00 0.10 H new ATOM 0 HB2 TRP A 126 -0.039 -3.652 -5.031 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.689 -3.161 -4.704 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.981 -2.271 -6.750 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.386 -1.236 -9.051 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.097 -2.240 -6.258 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 -0.019 -0.562 -10.441 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.470 -1.411 -8.123 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.422 -0.572 -10.183 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.141 -0.333 -3.567 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.889 0.913 -3.563 1.00 0.12 C ATOM 1542 C GLU A 127 -2.018 2.033 -3.066 1.00 0.12 C ATOM 1543 O GLU A 127 -1.768 2.973 -3.790 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.152 0.831 -2.712 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.391 0.519 -3.524 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.713 1.571 -4.563 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -6.428 2.539 -4.234 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -5.283 1.416 -5.723 1.00 0.84 O ATOM 0 H GLU A 127 -2.565 -1.088 -3.028 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.198 1.106 -4.591 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.021 0.063 -1.949 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.295 1.777 -2.190 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.258 -0.442 -4.021 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.241 0.414 -2.850 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.531 1.935 -1.841 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.676 2.991 -1.324 1.00 0.11 C ATOM 1557 C HIS A 128 0.552 3.151 -2.196 1.00 0.10 C ATOM 1558 O HIS A 128 1.041 4.256 -2.342 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.267 2.758 0.133 1.00 0.11 C ATOM 1560 CG HIS A 128 0.250 4.008 0.797 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.767 4.031 2.075 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.303 5.289 0.353 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.108 5.271 2.388 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.839 6.050 1.361 1.00 0.15 N ATOM 0 H HIS A 128 -1.705 1.160 -1.201 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.259 3.911 -1.348 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.124 2.382 0.692 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.502 1.986 0.172 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.018 5.644 -0.615 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.535 5.590 3.327 1.00 0.15 H new ATOM 0 HE2 HIS A 128 1.003 7.056 1.321 1.00 0.15 H new ATOM 1573 N LEU A 129 1.048 2.064 -2.769 1.00 0.10 N ATOM 1574 CA LEU A 129 2.114 2.147 -3.752 1.00 0.12 C ATOM 1575 C LEU A 129 1.691 3.086 -4.863 1.00 0.15 C ATOM 1576 O LEU A 129 2.415 4.018 -5.217 1.00 0.18 O ATOM 1577 CB LEU A 129 2.439 0.748 -4.303 1.00 0.11 C ATOM 1578 CG LEU A 129 3.596 0.663 -5.301 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.653 1.694 -4.978 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.222 -0.717 -5.254 1.00 0.13 C ATOM 0 H LEU A 129 0.729 1.116 -2.569 1.00 0.10 H new ATOM 0 HA LEU A 129 3.018 2.538 -3.285 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.665 0.093 -3.461 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.544 0.353 -4.783 1.00 0.11 H new ATOM 0 HG LEU A 129 3.200 0.855 -6.298 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.467 1.618 -5.698 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.216 2.691 -5.028 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.039 1.517 -3.974 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.044 -0.768 -5.968 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.600 -0.911 -4.250 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.472 -1.466 -5.510 1.00 0.13 H new ATOM 1592 N GLU A 130 0.494 2.855 -5.369 1.00 0.17 N ATOM 1593 CA GLU A 130 -0.060 3.666 -6.423 1.00 0.23 C ATOM 1594 C GLU A 130 -0.296 5.083 -5.918 1.00 0.25 C ATOM 1595 O GLU A 130 -0.001 6.062 -6.593 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.363 3.027 -6.946 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.867 3.587 -8.272 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.685 4.860 -8.127 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.843 4.782 -7.665 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -2.192 5.942 -8.514 1.00 1.80 O ATOM 0 H GLU A 130 -0.116 2.100 -5.058 1.00 0.17 H new ATOM 0 HA GLU A 130 0.645 3.719 -7.253 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.205 1.954 -7.058 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -2.141 3.157 -6.194 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.013 3.786 -8.920 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -2.474 2.830 -8.768 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.809 5.161 -4.717 1.00 0.20 N ATOM 1608 CA ILE A 131 -1.071 6.413 -4.046 1.00 0.21 C ATOM 1609 C ILE A 131 0.214 7.250 -3.852 1.00 0.22 C ATOM 1610 O ILE A 131 0.212 8.451 -4.080 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.751 6.129 -2.695 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.284 6.011 -2.838 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.412 7.203 -1.671 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.774 4.997 -3.857 1.00 0.23 C ATOM 0 H ILE A 131 -1.062 4.341 -4.165 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.736 7.007 -4.673 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.365 5.172 -2.345 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.702 5.752 -1.865 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.682 6.990 -3.106 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.907 6.975 -0.727 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.333 7.232 -1.518 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.753 8.173 -2.034 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.864 4.997 -3.875 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.395 5.261 -4.844 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.416 4.004 -3.584 1.00 0.23 H new ATOM 1626 N LEU A 132 1.309 6.622 -3.432 1.00 0.18 N ATOM 1627 CA LEU A 132 2.583 7.342 -3.282 1.00 0.20 C ATOM 1628 C LEU A 132 2.935 8.002 -4.599 1.00 0.25 C ATOM 1629 O LEU A 132 3.480 9.105 -4.649 1.00 0.29 O ATOM 1630 CB LEU A 132 3.728 6.415 -2.891 1.00 0.21 C ATOM 1631 CG LEU A 132 3.485 5.523 -1.686 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.143 4.192 -1.952 1.00 0.23 C ATOM 1633 CD2 LEU A 132 4.035 6.138 -0.398 1.00 0.25 C ATOM 0 H LEU A 132 1.347 5.632 -3.191 1.00 0.18 H new ATOM 0 HA LEU A 132 2.452 8.077 -2.488 1.00 0.20 H new ATOM 0 HB2 LEU A 132 3.963 5.780 -3.746 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.610 7.024 -2.694 1.00 0.21 H new ATOM 0 HG LEU A 132 2.411 5.403 -1.543 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.984 3.531 -1.100 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.709 3.744 -2.846 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.213 4.338 -2.102 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.839 5.467 0.438 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.110 6.290 -0.497 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.548 7.096 -0.216 1.00 0.25 H new ATOM 1645 N GLN A 133 2.592 7.304 -5.666 1.00 0.28 N ATOM 1646 CA GLN A 133 2.738 7.837 -6.998 1.00 0.38 C ATOM 1647 C GLN A 133 1.751 8.976 -7.185 1.00 0.37 C ATOM 1648 O GLN A 133 2.133 10.087 -7.539 1.00 0.47 O ATOM 1649 CB GLN A 133 2.510 6.748 -8.047 1.00 0.58 C ATOM 1650 CG GLN A 133 3.695 5.818 -8.239 1.00 0.79 C ATOM 1651 CD GLN A 133 3.276 4.428 -8.676 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.093 4.155 -9.860 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.156 3.529 -7.718 1.00 0.31 N ATOM 0 H GLN A 133 2.208 6.360 -5.630 1.00 0.28 H new ATOM 0 HA GLN A 133 3.754 8.211 -7.127 1.00 0.38 H new ATOM 0 HB2 GLN A 133 1.640 6.157 -7.759 1.00 0.58 H new ATOM 0 HB3 GLN A 133 2.273 7.220 -9.001 1.00 0.58 H new ATOM 0 HG2 GLN A 133 4.369 6.242 -8.984 1.00 0.79 H new ATOM 0 HG3 GLN A 133 4.254 5.749 -7.306 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.316 3.795 -6.746 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.903 2.568 -7.949 1.00 0.31 H new