USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 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 -82:sc= 0.457 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -1.88! X(o=-1.4!,f=-1.5) USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0.159 USER MOD Set 2.2: A 128 HIS : no HD1:sc= -3.39! C(o=-3.2!,f=-4!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -153:sc= -10.3! (180deg=-12.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.15) USER MOD Single : A 52 THR OG1 : rot -37:sc= 0.292 USER MOD Single : A 54 SER OG : rot 180:sc= 0.076 USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -0.0916 (180deg=-0.469) USER MOD Single : A 60 GLN : amide:sc= -5.23! C(o=-5.2!,f=-6.9!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.358 F(o=-1.5!,f=-0.36) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.956) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.1! C(o=-10!,f=-9.1!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 82 MET CE :methyl -163:sc= -0.199 (180deg=-0.749) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.36 F(o=-2.1,f=-1.4) 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= -5.24! C(o=-13!,f=-5.2!) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= -0.0538 (180deg=-0.219) USER MOD Single : A 99 CYS SG : rot 63:sc= 1.34 USER MOD Single : A 100 MET CE :methyl -109:sc= -1.35 (180deg=-2.76!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -23:sc= -0.0561 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 109:sc= 0.0532 USER MOD Single : A 133 GLN :FLIP amide:sc= -1.09 F(o=-2.4!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.526 -1.524 1.824 1.00 0.41 N ATOM 224 CA MET A 44 -13.071 -1.224 3.166 1.00 0.41 C ATOM 225 C MET A 44 -11.711 -0.543 3.121 1.00 0.31 C ATOM 226 O MET A 44 -11.455 0.360 3.897 1.00 0.28 O ATOM 227 CB MET A 44 -13.016 -2.479 4.040 1.00 0.50 C ATOM 228 CG MET A 44 -14.334 -3.237 4.081 1.00 0.82 C ATOM 229 SD MET A 44 -15.768 -2.178 4.372 1.00 1.59 S ATOM 230 CE MET A 44 -17.106 -3.292 3.930 1.00 1.62 C ATOM 0 HA MET A 44 -13.793 -0.544 3.618 1.00 0.41 H new ATOM 0 HB2 MET A 44 -12.235 -3.141 3.666 1.00 0.50 H new ATOM 0 HB3 MET A 44 -12.735 -2.196 5.054 1.00 0.50 H new ATOM 0 HG2 MET A 44 -14.469 -3.766 3.138 1.00 0.82 H new ATOM 0 HG3 MET A 44 -14.285 -3.992 4.866 1.00 0.82 H new ATOM 0 HE1 MET A 44 -18.061 -2.782 4.057 1.00 1.62 H new ATOM 0 HE2 MET A 44 -16.995 -3.600 2.890 1.00 1.62 H new ATOM 0 HE3 MET A 44 -17.075 -4.171 4.574 1.00 1.62 H new ATOM 240 N MET A 45 -10.829 -0.974 2.221 1.00 0.28 N ATOM 241 CA MET A 45 -9.584 -0.234 1.998 1.00 0.22 C ATOM 242 C MET A 45 -9.885 1.082 1.290 1.00 0.20 C ATOM 243 O MET A 45 -9.165 2.058 1.449 1.00 0.20 O ATOM 244 CB MET A 45 -8.562 -1.032 1.182 1.00 0.24 C ATOM 245 CG MET A 45 -8.965 -1.216 -0.270 1.00 0.32 C ATOM 246 SD MET A 45 -8.029 -2.485 -1.137 1.00 0.98 S ATOM 247 CE MET A 45 -6.397 -1.774 -1.093 1.00 0.22 C ATOM 0 H MET A 45 -10.945 -1.809 1.647 1.00 0.28 H new ATOM 0 HA MET A 45 -9.144 -0.046 2.977 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.598 -0.524 1.223 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.426 -2.011 1.641 1.00 0.24 H new ATOM 0 HG2 MET A 45 -10.025 -1.468 -0.313 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.842 -0.268 -0.793 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.819 -2.138 -1.942 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.472 -0.688 -1.144 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.900 -2.061 -0.166 1.00 0.22 H new ATOM 257 N SER A 46 -10.936 1.098 0.490 1.00 0.24 N ATOM 258 CA SER A 46 -11.392 2.326 -0.134 1.00 0.30 C ATOM 259 C SER A 46 -11.639 3.388 0.937 1.00 0.27 C ATOM 260 O SER A 46 -11.176 4.521 0.824 1.00 0.30 O ATOM 261 CB SER A 46 -12.655 2.046 -0.953 1.00 0.39 C ATOM 262 OG SER A 46 -13.131 3.206 -1.613 1.00 0.53 O ATOM 0 H SER A 46 -11.490 0.274 0.257 1.00 0.24 H new ATOM 0 HA SER A 46 -10.628 2.706 -0.812 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.444 1.271 -1.690 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.434 1.658 -0.296 1.00 0.39 H new ATOM 0 HG SER A 46 -13.936 2.984 -2.125 1.00 0.53 H new ATOM 268 N GLN A 47 -12.360 3.021 1.983 1.00 0.25 N ATOM 269 CA GLN A 47 -12.542 3.921 3.110 1.00 0.27 C ATOM 270 C GLN A 47 -11.290 3.984 4.001 1.00 0.24 C ATOM 271 O GLN A 47 -10.787 5.066 4.287 1.00 0.29 O ATOM 272 CB GLN A 47 -13.792 3.551 3.921 1.00 0.30 C ATOM 273 CG GLN A 47 -13.849 2.096 4.354 1.00 0.33 C ATOM 274 CD GLN A 47 -15.119 1.753 5.108 1.00 0.43 C ATOM 275 OE1 GLN A 47 -16.174 2.345 4.882 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.027 0.791 6.011 1.00 1.11 N ATOM 0 H GLN A 47 -12.824 2.117 2.076 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.695 4.921 2.704 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.836 4.184 4.808 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.677 3.775 3.325 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.771 1.457 3.474 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.988 1.876 4.985 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.134 0.324 6.169 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.849 0.516 6.549 1.00 1.11 H new ATOM 285 N ALA A 48 -10.774 2.826 4.422 1.00 0.21 N ATOM 286 CA ALA A 48 -9.669 2.782 5.380 1.00 0.22 C ATOM 287 C ALA A 48 -8.356 3.256 4.783 1.00 0.20 C ATOM 288 O ALA A 48 -7.745 4.181 5.309 1.00 0.22 O ATOM 289 CB ALA A 48 -9.487 1.382 5.943 1.00 0.24 C ATOM 0 H ALA A 48 -11.103 1.911 4.115 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.941 3.468 6.183 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.659 1.380 6.652 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.400 1.073 6.451 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.271 0.688 5.130 1.00 0.24 H new ATOM 295 N LEU A 49 -7.935 2.657 3.673 1.00 0.18 N ATOM 296 CA LEU A 49 -6.614 2.923 3.116 1.00 0.18 C ATOM 297 C LEU A 49 -6.544 4.312 2.545 1.00 0.19 C ATOM 298 O LEU A 49 -5.670 5.102 2.890 1.00 0.21 O ATOM 299 CB LEU A 49 -6.281 1.951 1.978 1.00 0.23 C ATOM 300 CG LEU A 49 -5.126 0.999 2.238 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.778 0.281 0.956 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.911 1.727 2.800 1.00 0.58 C ATOM 0 H LEU A 49 -8.489 1.985 3.142 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.904 2.804 3.934 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.171 1.361 1.757 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -6.054 2.532 1.084 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.435 0.273 2.990 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.949 -0.404 1.136 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.644 -0.281 0.607 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.489 1.009 0.198 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.106 1.012 2.973 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.579 2.483 2.089 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.178 2.207 3.741 1.00 0.58 H new ATOM 314 N LYS A 50 -7.461 4.592 1.650 1.00 0.19 N ATOM 315 CA LYS A 50 -7.410 5.811 0.884 1.00 0.21 C ATOM 316 C LYS A 50 -7.482 7.038 1.803 1.00 0.23 C ATOM 317 O LYS A 50 -6.909 8.088 1.510 1.00 0.27 O ATOM 318 CB LYS A 50 -8.516 5.805 -0.170 1.00 0.22 C ATOM 319 CG LYS A 50 -8.596 4.485 -0.929 1.00 0.20 C ATOM 320 CD LYS A 50 -7.271 4.142 -1.606 1.00 0.21 C ATOM 321 CE LYS A 50 -7.014 5.027 -2.813 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.746 4.547 -4.010 1.00 0.55 N ATOM 0 H LYS A 50 -8.254 3.988 1.435 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.455 5.871 0.362 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.474 6.001 0.312 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.343 6.616 -0.877 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.871 3.686 -0.241 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.384 4.544 -1.680 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.456 4.256 -0.891 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.280 3.097 -1.916 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.318 6.049 -2.586 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -5.945 5.052 -3.025 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.846 5.326 -4.691 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.217 3.768 -4.451 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.689 4.210 -3.728 1.00 0.55 H new ATOM 336 N ALA A 51 -8.176 6.882 2.925 1.00 0.22 N ATOM 337 CA ALA A 51 -8.227 7.919 3.952 1.00 0.23 C ATOM 338 C ALA A 51 -6.964 7.925 4.819 1.00 0.23 C ATOM 339 O ALA A 51 -6.449 8.985 5.169 1.00 0.26 O ATOM 340 CB ALA A 51 -9.461 7.749 4.820 1.00 0.25 C ATOM 0 H ALA A 51 -8.713 6.044 3.148 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.282 8.880 3.441 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.482 8.531 5.580 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.355 7.821 4.200 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.433 6.773 5.304 1.00 0.25 H new ATOM 346 N THR A 52 -6.462 6.731 5.150 1.00 0.21 N ATOM 347 CA THR A 52 -5.390 6.577 6.136 1.00 0.22 C ATOM 348 C THR A 52 -4.039 7.064 5.628 1.00 0.21 C ATOM 349 O THR A 52 -3.088 7.155 6.405 1.00 0.23 O ATOM 350 CB THR A 52 -5.250 5.103 6.593 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.445 5.020 7.777 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.623 4.238 5.501 1.00 0.18 C ATOM 0 H THR A 52 -6.784 5.852 4.746 1.00 0.21 H new ATOM 0 HA THR A 52 -5.681 7.202 6.981 1.00 0.22 H new ATOM 0 HB THR A 52 -6.253 4.731 6.803 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.719 5.676 7.725 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.539 3.210 5.854 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.250 4.265 4.610 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.631 4.620 5.259 1.00 0.18 H new ATOM 360 N PHE A 53 -3.957 7.391 4.345 1.00 0.23 N ATOM 361 CA PHE A 53 -2.673 7.680 3.710 1.00 0.27 C ATOM 362 C PHE A 53 -1.907 8.798 4.407 1.00 0.32 C ATOM 363 O PHE A 53 -0.679 8.868 4.306 1.00 0.34 O ATOM 364 CB PHE A 53 -2.854 8.031 2.238 1.00 0.31 C ATOM 365 CG PHE A 53 -3.294 6.877 1.398 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.781 5.617 1.617 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.231 7.053 0.395 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.191 4.550 0.852 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.646 5.986 -0.374 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.098 4.740 -0.171 1.00 0.38 C ATOM 0 H PHE A 53 -4.762 7.463 3.722 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.084 6.767 3.798 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.587 8.833 2.152 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.913 8.417 1.847 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.050 5.466 2.397 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.641 8.035 0.213 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.803 3.562 1.052 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.400 6.128 -1.134 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.376 3.914 -0.809 1.00 0.38 H new ATOM 380 N SER A 54 -2.628 9.649 5.123 1.00 0.36 N ATOM 381 CA SER A 54 -2.024 10.745 5.857 1.00 0.44 C ATOM 382 C SER A 54 -1.011 10.229 6.879 1.00 0.39 C ATOM 383 O SER A 54 -0.043 10.910 7.200 1.00 0.46 O ATOM 384 CB SER A 54 -3.126 11.544 6.549 1.00 0.55 C ATOM 385 OG SER A 54 -4.158 10.680 7.001 1.00 1.37 O ATOM 0 H SER A 54 -3.643 9.597 5.210 1.00 0.36 H new ATOM 0 HA SER A 54 -1.487 11.389 5.161 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.709 12.095 7.392 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.537 12.281 5.859 1.00 0.55 H new ATOM 0 HG SER A 54 -4.856 11.207 7.443 1.00 1.37 H new ATOM 391 N GLY A 55 -1.241 9.019 7.375 1.00 0.31 N ATOM 392 CA GLY A 55 -0.360 8.429 8.363 1.00 0.28 C ATOM 393 C GLY A 55 1.091 8.336 7.919 1.00 0.22 C ATOM 394 O GLY A 55 1.955 9.023 8.471 1.00 0.25 O ATOM 0 H GLY A 55 -2.030 8.432 7.107 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.412 9.017 9.279 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.720 7.429 8.605 1.00 0.28 H new ATOM 398 N PHE A 56 1.364 7.512 6.912 1.00 0.15 N ATOM 399 CA PHE A 56 2.743 7.258 6.507 1.00 0.12 C ATOM 400 C PHE A 56 3.290 8.399 5.688 1.00 0.13 C ATOM 401 O PHE A 56 4.360 8.898 5.970 1.00 0.17 O ATOM 402 CB PHE A 56 2.882 5.969 5.697 1.00 0.13 C ATOM 403 CG PHE A 56 4.308 5.681 5.313 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.158 5.021 6.187 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.788 6.046 4.066 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.459 4.730 5.823 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.088 5.761 3.698 1.00 0.26 C ATOM 408 CZ PHE A 56 6.959 5.198 4.630 1.00 0.28 C ATOM 0 H PHE A 56 0.659 7.015 6.368 1.00 0.15 H new ATOM 0 HA PHE A 56 3.313 7.156 7.431 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.490 5.134 6.278 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.274 6.043 4.795 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.799 4.731 7.164 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.138 6.560 3.373 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.083 4.136 6.475 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.428 5.973 2.695 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.016 5.130 4.417 1.00 0.28 H new ATOM 418 N THR A 57 2.527 8.817 4.696 1.00 0.16 N ATOM 419 CA THR A 57 2.987 9.810 3.726 1.00 0.24 C ATOM 420 C THR A 57 3.415 11.110 4.415 1.00 0.26 C ATOM 421 O THR A 57 4.271 11.840 3.916 1.00 0.35 O ATOM 422 CB THR A 57 1.882 10.106 2.700 1.00 0.32 C ATOM 423 OG1 THR A 57 1.544 8.900 1.993 1.00 0.39 O ATOM 424 CG2 THR A 57 2.311 11.170 1.698 1.00 0.46 C ATOM 0 H THR A 57 1.576 8.485 4.535 1.00 0.16 H new ATOM 0 HA THR A 57 3.855 9.394 3.214 1.00 0.24 H new ATOM 0 HB THR A 57 1.016 10.482 3.245 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.838 9.090 1.340 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.502 11.350 0.990 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.544 12.095 2.226 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.195 10.828 1.160 1.00 0.46 H new ATOM 432 N LYS A 58 2.842 11.366 5.582 1.00 0.24 N ATOM 433 CA LYS A 58 3.165 12.574 6.330 1.00 0.31 C ATOM 434 C LYS A 58 4.476 12.395 7.090 1.00 0.29 C ATOM 435 O LYS A 58 5.326 13.285 7.100 1.00 0.31 O ATOM 436 CB LYS A 58 2.043 12.948 7.292 1.00 0.39 C ATOM 437 CG LYS A 58 2.205 14.325 7.912 1.00 0.50 C ATOM 438 CD LYS A 58 2.396 15.391 6.845 1.00 1.34 C ATOM 439 CE LYS A 58 2.279 16.789 7.422 1.00 1.93 C ATOM 440 NZ LYS A 58 0.916 17.050 7.946 1.00 2.52 N ATOM 0 H LYS A 58 2.156 10.759 6.030 1.00 0.24 H new ATOM 0 HA LYS A 58 3.279 13.388 5.615 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.092 12.908 6.761 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.995 12.204 8.087 1.00 0.39 H new ATOM 0 HG2 LYS A 58 1.327 14.562 8.513 1.00 0.50 H new ATOM 0 HG3 LYS A 58 3.061 14.324 8.586 1.00 0.50 H new ATOM 0 HD2 LYS A 58 3.375 15.270 6.380 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.652 15.258 6.060 1.00 1.34 H new ATOM 0 HE2 LYS A 58 3.008 16.915 8.223 1.00 1.93 H new ATOM 0 HE3 LYS A 58 2.521 17.522 6.653 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 0.762 18.076 8.016 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 0.212 16.637 7.302 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 0.818 16.620 8.888 1.00 2.52 H new ATOM 454 N GLU A 59 4.654 11.228 7.700 1.00 0.26 N ATOM 455 CA GLU A 59 5.855 10.961 8.480 1.00 0.25 C ATOM 456 C GLU A 59 6.979 10.524 7.549 1.00 0.21 C ATOM 457 O GLU A 59 8.156 10.618 7.878 1.00 0.24 O ATOM 458 CB GLU A 59 5.585 9.916 9.571 1.00 0.31 C ATOM 459 CG GLU A 59 6.451 8.676 9.492 1.00 0.43 C ATOM 460 CD GLU A 59 6.396 7.870 10.771 1.00 0.76 C ATOM 461 OE1 GLU A 59 6.976 8.311 11.783 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.802 6.771 10.758 1.00 0.97 O ATOM 0 H GLU A 59 3.987 10.457 7.670 1.00 0.26 H new ATOM 0 HA GLU A 59 6.161 11.876 8.988 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.731 10.383 10.545 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.539 9.615 9.515 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.123 8.056 8.657 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.482 8.965 9.289 1.00 0.43 H new ATOM 469 N GLN A 60 6.585 10.043 6.384 1.00 0.19 N ATOM 470 CA GLN A 60 7.493 9.753 5.290 1.00 0.19 C ATOM 471 C GLN A 60 8.336 10.984 5.004 1.00 0.22 C ATOM 472 O GLN A 60 9.561 10.916 4.928 1.00 0.23 O ATOM 473 CB GLN A 60 6.663 9.367 4.066 1.00 0.21 C ATOM 474 CG GLN A 60 7.451 9.085 2.812 1.00 0.28 C ATOM 475 CD GLN A 60 6.536 8.787 1.644 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.399 9.257 1.591 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.024 8.018 0.695 1.00 0.26 N ATOM 0 H GLN A 60 5.609 9.840 6.168 1.00 0.19 H new ATOM 0 HA GLN A 60 8.160 8.930 5.546 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.075 8.483 4.311 1.00 0.21 H new ATOM 0 HB3 GLN A 60 5.958 10.172 3.858 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.080 9.943 2.574 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.117 8.239 2.981 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.971 7.648 0.775 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.455 7.792 -0.121 1.00 0.26 H new ATOM 486 N GLN A 61 7.655 12.117 4.901 1.00 0.28 N ATOM 487 CA GLN A 61 8.314 13.411 4.722 1.00 0.34 C ATOM 488 C GLN A 61 9.276 13.681 5.881 1.00 0.34 C ATOM 489 O GLN A 61 10.365 14.226 5.700 1.00 0.37 O ATOM 490 CB GLN A 61 7.275 14.529 4.679 1.00 0.45 C ATOM 491 CG GLN A 61 6.129 14.273 3.715 1.00 0.58 C ATOM 492 CD GLN A 61 6.582 14.085 2.281 1.00 0.77 C ATOM 493 OE1 GLN A 61 5.857 13.260 1.544 1.00 1.23 O flip ATOM 494 NE2 GLN A 61 7.572 14.671 1.843 1.00 1.12 N flip ATOM 0 H GLN A 61 6.637 12.169 4.938 1.00 0.28 H new ATOM 0 HA GLN A 61 8.868 13.384 3.783 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.869 14.672 5.680 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.769 15.460 4.400 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.585 13.385 4.036 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.431 15.109 3.761 1.00 0.58 H new ATOM 0 HE21 GLN A 61 8.102 15.299 2.448 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.862 14.529 0.876 1.00 1.12 H new ATOM 503 N ARG A 62 8.853 13.273 7.071 1.00 0.34 N ATOM 504 CA ARG A 62 9.590 13.527 8.304 1.00 0.39 C ATOM 505 C ARG A 62 10.848 12.669 8.383 1.00 0.36 C ATOM 506 O ARG A 62 11.940 13.169 8.658 1.00 0.41 O ATOM 507 CB ARG A 62 8.683 13.231 9.499 1.00 0.44 C ATOM 508 CG ARG A 62 9.350 13.412 10.844 1.00 0.58 C ATOM 509 CD ARG A 62 9.876 14.826 11.021 1.00 1.13 C ATOM 510 NE ARG A 62 10.628 14.969 12.261 1.00 1.93 N ATOM 511 CZ ARG A 62 11.543 15.912 12.481 1.00 2.74 C ATOM 512 NH1 ARG A 62 11.793 16.828 11.552 1.00 2.99 N ATOM 513 NH2 ARG A 62 12.197 15.951 13.635 1.00 3.73 N ATOM 0 H ARG A 62 7.986 12.754 7.209 1.00 0.34 H new ATOM 0 HA ARG A 62 9.897 14.573 8.317 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.810 13.882 9.448 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.321 12.206 9.421 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.638 13.186 11.637 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.172 12.703 10.942 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.514 15.086 10.176 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.042 15.528 11.018 1.00 1.13 H new ATOM 0 HE ARG A 62 10.441 14.303 13.010 1.00 1.93 H new ATOM 0 HH11 ARG A 62 11.284 16.810 10.668 1.00 2.99 H new ATOM 0 HH12 ARG A 62 12.494 17.549 11.722 1.00 2.99 H new ATOM 0 HH21 ARG A 62 12.000 15.258 14.357 1.00 3.73 H new ATOM 0 HH22 ARG A 62 12.897 16.674 13.800 1.00 3.73 H new ATOM 527 N LEU A 63 10.678 11.380 8.122 1.00 0.30 N ATOM 528 CA LEU A 63 11.766 10.407 8.181 1.00 0.32 C ATOM 529 C LEU A 63 12.751 10.592 7.043 1.00 0.31 C ATOM 530 O LEU A 63 13.724 9.847 6.922 1.00 0.37 O ATOM 531 CB LEU A 63 11.193 8.991 8.164 1.00 0.33 C ATOM 532 CG LEU A 63 10.265 8.660 9.335 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.604 7.307 9.132 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.029 8.683 10.650 1.00 0.65 C ATOM 0 H LEU A 63 9.778 10.976 7.862 1.00 0.30 H new ATOM 0 HA LEU A 63 12.311 10.568 9.111 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.645 8.847 7.233 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.019 8.280 8.161 1.00 0.33 H new ATOM 0 HG LEU A 63 9.486 9.422 9.375 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.949 7.092 9.976 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.018 7.322 8.213 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.370 6.535 9.061 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.350 8.445 11.469 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.831 7.946 10.618 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.453 9.675 10.807 1.00 0.65 H new ATOM 546 N GLY A 64 12.509 11.602 6.226 1.00 0.28 N ATOM 547 CA GLY A 64 13.353 11.838 5.083 1.00 0.30 C ATOM 548 C GLY A 64 13.182 10.743 4.069 1.00 0.27 C ATOM 549 O GLY A 64 14.071 10.477 3.261 1.00 0.33 O ATOM 0 H GLY A 64 11.740 12.263 6.336 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.106 12.800 4.634 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.395 11.891 5.398 1.00 0.30 H new ATOM 553 N ILE A 65 12.031 10.091 4.130 1.00 0.22 N ATOM 554 CA ILE A 65 11.721 9.047 3.195 1.00 0.20 C ATOM 555 C ILE A 65 11.167 9.668 1.922 1.00 0.21 C ATOM 556 O ILE A 65 10.207 10.435 1.972 1.00 0.23 O ATOM 557 CB ILE A 65 10.711 8.013 3.746 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.280 7.316 4.981 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.356 6.986 2.672 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.458 6.129 5.439 1.00 0.20 C ATOM 0 H ILE A 65 11.303 10.274 4.821 1.00 0.22 H new ATOM 0 HA ILE A 65 12.647 8.507 2.998 1.00 0.20 H new ATOM 0 HB ILE A 65 9.802 8.540 4.034 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.295 6.983 4.765 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.348 8.037 5.796 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.645 6.267 3.077 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.911 7.494 1.816 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.259 6.464 2.355 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.921 5.684 6.320 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.449 6.459 5.687 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.411 5.389 4.640 1.00 0.20 H new ATOM 572 N PRO A 66 11.788 9.371 0.777 1.00 0.24 N ATOM 573 CA PRO A 66 11.323 9.856 -0.522 1.00 0.27 C ATOM 574 C PRO A 66 9.831 9.602 -0.709 1.00 0.22 C ATOM 575 O PRO A 66 9.369 8.486 -0.517 1.00 0.23 O ATOM 576 CB PRO A 66 12.132 9.021 -1.512 1.00 0.35 C ATOM 577 CG PRO A 66 13.377 8.648 -0.785 1.00 0.26 C ATOM 578 CD PRO A 66 12.999 8.539 0.664 1.00 0.31 C ATOM 0 HA PRO A 66 11.457 10.931 -0.643 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.578 8.135 -1.824 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.358 9.590 -2.414 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.776 7.704 -1.155 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.152 9.400 -0.930 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.802 7.506 0.949 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.796 8.902 1.313 1.00 0.31 H new ATOM 586 N LYS A 67 9.086 10.641 -1.053 1.00 0.25 N ATOM 587 CA LYS A 67 7.629 10.547 -1.218 1.00 0.27 C ATOM 588 C LYS A 67 7.216 9.544 -2.308 1.00 0.25 C ATOM 589 O LYS A 67 6.059 9.129 -2.372 1.00 0.36 O ATOM 590 CB LYS A 67 7.061 11.929 -1.547 1.00 0.43 C ATOM 591 CG LYS A 67 7.724 12.576 -2.748 1.00 1.04 C ATOM 592 CD LYS A 67 7.099 13.914 -3.086 1.00 1.15 C ATOM 593 CE LYS A 67 7.760 14.535 -4.305 1.00 1.67 C ATOM 594 NZ LYS A 67 7.568 13.703 -5.525 1.00 2.42 N ATOM 0 H LYS A 67 9.464 11.572 -1.227 1.00 0.25 H new ATOM 0 HA LYS A 67 7.221 10.181 -0.276 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.991 11.840 -1.735 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.179 12.579 -0.680 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.787 12.712 -2.546 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.645 11.911 -3.608 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.033 13.784 -3.273 1.00 1.15 H new ATOM 0 HD3 LYS A 67 7.193 14.588 -2.235 1.00 1.15 H new ATOM 0 HE2 LYS A 67 7.347 15.529 -4.475 1.00 1.67 H new ATOM 0 HE3 LYS A 67 8.826 14.661 -4.115 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 7.802 14.264 -6.369 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 8.190 12.871 -5.479 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 6.577 13.392 -5.580 1.00 2.42 H new ATOM 608 N ASP A 68 8.163 9.154 -3.145 1.00 0.28 N ATOM 609 CA ASP A 68 7.888 8.229 -4.240 1.00 0.28 C ATOM 610 C ASP A 68 8.452 6.857 -3.914 1.00 0.21 C ATOM 611 O ASP A 68 9.219 6.723 -2.976 1.00 0.23 O ATOM 612 CB ASP A 68 8.483 8.746 -5.556 1.00 0.39 C ATOM 613 CG ASP A 68 7.887 10.066 -5.999 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.379 11.127 -5.559 1.00 1.65 O ATOM 615 OD2 ASP A 68 6.929 10.049 -6.798 1.00 1.88 O ATOM 0 H ASP A 68 9.133 9.463 -3.089 1.00 0.28 H new ATOM 0 HA ASP A 68 6.808 8.152 -4.362 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.561 8.861 -5.440 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.324 8.002 -6.337 1.00 0.39 H new ATOM 620 N PRO A 69 8.069 5.813 -4.658 1.00 0.19 N ATOM 621 CA PRO A 69 8.577 4.463 -4.433 1.00 0.20 C ATOM 622 C PRO A 69 9.913 4.191 -5.114 1.00 0.26 C ATOM 623 O PRO A 69 10.854 3.774 -4.462 1.00 0.65 O ATOM 624 CB PRO A 69 7.500 3.561 -5.042 1.00 0.40 C ATOM 625 CG PRO A 69 6.487 4.459 -5.686 1.00 0.37 C ATOM 626 CD PRO A 69 7.073 5.841 -5.730 1.00 0.22 C ATOM 0 HA PRO A 69 8.763 4.296 -3.372 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.935 2.882 -5.776 1.00 0.40 H new ATOM 0 HB3 PRO A 69 7.035 2.944 -4.274 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.250 4.111 -6.691 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.556 4.455 -5.119 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.528 6.056 -6.697 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.316 6.606 -5.557 1.00 0.22 H new ATOM 634 N ARG A 70 9.988 4.501 -6.407 1.00 0.20 N ATOM 635 CA ARG A 70 11.047 4.005 -7.311 1.00 0.26 C ATOM 636 C ARG A 70 12.481 4.431 -6.948 1.00 0.19 C ATOM 637 O ARG A 70 13.404 4.201 -7.726 1.00 0.27 O ATOM 638 CB ARG A 70 10.747 4.386 -8.770 1.00 0.46 C ATOM 639 CG ARG A 70 10.495 5.870 -9.007 1.00 0.96 C ATOM 640 CD ARG A 70 9.025 6.229 -8.831 1.00 0.87 C ATOM 641 NE ARG A 70 8.437 6.751 -10.065 1.00 1.06 N ATOM 642 CZ ARG A 70 7.499 7.701 -10.109 1.00 1.29 C ATOM 643 NH1 ARG A 70 7.076 8.285 -8.994 1.00 1.89 N ATOM 644 NH2 ARG A 70 7.006 8.087 -11.276 1.00 1.79 N ATOM 0 H ARG A 70 9.313 5.109 -6.870 1.00 0.20 H new ATOM 0 HA ARG A 70 11.022 2.923 -7.183 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.585 4.071 -9.392 1.00 0.46 H new ATOM 0 HB3 ARG A 70 9.873 3.826 -9.104 1.00 0.46 H new ATOM 0 HG2 ARG A 70 11.098 6.456 -8.314 1.00 0.96 H new ATOM 0 HG3 ARG A 70 10.816 6.137 -10.014 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.472 5.346 -8.511 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.925 6.972 -8.039 1.00 0.87 H new ATOM 0 HE ARG A 70 8.765 6.364 -10.950 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.468 8.009 -8.094 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.359 9.009 -9.038 1.00 1.89 H new ATOM 0 HH21 ARG A 70 7.343 7.659 -12.139 1.00 1.79 H new ATOM 0 HH22 ARG A 70 6.290 8.812 -11.312 1.00 1.79 H new ATOM 658 N GLN A 71 12.679 5.033 -5.791 1.00 0.16 N ATOM 659 CA GLN A 71 14.021 5.402 -5.350 1.00 0.16 C ATOM 660 C GLN A 71 14.236 5.068 -3.871 1.00 0.15 C ATOM 661 O GLN A 71 15.157 5.579 -3.229 1.00 0.18 O ATOM 662 CB GLN A 71 14.280 6.893 -5.590 1.00 0.20 C ATOM 663 CG GLN A 71 13.606 7.803 -4.578 1.00 0.38 C ATOM 664 CD GLN A 71 12.104 7.631 -4.542 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.637 6.640 -3.787 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.376 8.345 -5.218 1.00 0.29 N flip ATOM 0 H GLN A 71 11.935 5.278 -5.138 1.00 0.16 H new ATOM 0 HA GLN A 71 14.729 4.819 -5.939 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.355 7.074 -5.568 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.933 7.156 -6.589 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.014 7.602 -3.587 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.842 8.840 -4.815 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.777 9.094 -5.782 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.368 8.192 -5.217 1.00 0.29 H new ATOM 675 N TRP A 72 13.388 4.208 -3.327 1.00 0.12 N ATOM 676 CA TRP A 72 13.473 3.825 -1.928 1.00 0.11 C ATOM 677 C TRP A 72 14.574 2.803 -1.680 1.00 0.12 C ATOM 678 O TRP A 72 15.066 2.156 -2.601 1.00 0.14 O ATOM 679 CB TRP A 72 12.136 3.200 -1.502 1.00 0.11 C ATOM 680 CG TRP A 72 11.112 4.174 -1.042 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.288 5.490 -0.761 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.737 3.887 -0.792 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.099 6.042 -0.368 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.130 5.077 -0.381 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.963 2.738 -0.888 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.776 5.150 -0.061 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.625 2.808 -0.573 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.043 4.005 -0.166 1.00 0.10 C ATOM 0 H TRP A 72 12.628 3.760 -3.839 1.00 0.12 H new ATOM 0 HA TRP A 72 13.700 4.722 -1.352 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.730 2.637 -2.342 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.324 2.486 -0.700 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.225 6.022 -0.836 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.958 7.018 -0.107 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.404 1.804 -1.205 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.324 6.078 0.258 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.016 1.919 -0.643 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.990 4.027 0.071 1.00 0.10 H new ATOM 699 N THR A 73 15.007 2.720 -0.436 1.00 0.14 N ATOM 700 CA THR A 73 15.826 1.615 0.011 1.00 0.15 C ATOM 701 C THR A 73 14.935 0.445 0.370 1.00 0.15 C ATOM 702 O THR A 73 13.709 0.589 0.403 1.00 0.16 O ATOM 703 CB THR A 73 16.647 1.986 1.257 1.00 0.18 C ATOM 704 OG1 THR A 73 15.764 2.457 2.284 1.00 0.19 O ATOM 705 CG2 THR A 73 17.679 3.057 0.940 1.00 0.21 C ATOM 0 H THR A 73 14.802 3.411 0.286 1.00 0.14 H new ATOM 0 HA THR A 73 16.508 1.360 -0.800 1.00 0.15 H new ATOM 0 HB THR A 73 17.177 1.096 1.597 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.560 3.403 2.131 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.243 3.297 1.841 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.361 2.690 0.173 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.174 3.953 0.578 1.00 0.21 H new ATOM 713 N GLU A 74 15.536 -0.693 0.663 1.00 0.17 N ATOM 714 CA GLU A 74 14.782 -1.828 1.155 1.00 0.20 C ATOM 715 C GLU A 74 14.019 -1.442 2.423 1.00 0.19 C ATOM 716 O GLU A 74 12.855 -1.808 2.604 1.00 0.28 O ATOM 717 CB GLU A 74 15.718 -2.996 1.441 1.00 0.29 C ATOM 718 CG GLU A 74 14.995 -4.207 1.979 1.00 1.25 C ATOM 719 CD GLU A 74 15.926 -5.350 2.303 1.00 1.79 C ATOM 720 OE1 GLU A 74 16.353 -6.057 1.369 1.00 2.67 O ATOM 721 OE2 GLU A 74 16.232 -5.546 3.499 1.00 1.99 O ATOM 0 H GLU A 74 16.539 -0.855 0.569 1.00 0.17 H new ATOM 0 HA GLU A 74 14.065 -2.132 0.392 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.242 -3.269 0.525 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.475 -2.682 2.159 1.00 0.29 H new ATOM 0 HG2 GLU A 74 14.445 -3.927 2.878 1.00 1.25 H new ATOM 0 HG3 GLU A 74 14.260 -4.540 1.247 1.00 1.25 H new ATOM 728 N THR A 75 14.668 -0.660 3.277 1.00 0.18 N ATOM 729 CA THR A 75 14.092 -0.276 4.552 1.00 0.21 C ATOM 730 C THR A 75 12.961 0.738 4.367 1.00 0.17 C ATOM 731 O THR A 75 12.020 0.772 5.155 1.00 0.20 O ATOM 732 CB THR A 75 15.169 0.324 5.473 1.00 0.29 C ATOM 733 OG1 THR A 75 16.403 -0.396 5.306 1.00 0.47 O ATOM 734 CG2 THR A 75 14.738 0.257 6.932 1.00 0.47 C ATOM 0 H THR A 75 15.599 -0.279 3.105 1.00 0.18 H new ATOM 0 HA THR A 75 13.683 -1.176 5.011 1.00 0.21 H new ATOM 0 HB THR A 75 15.309 1.370 5.200 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.088 -0.011 5.892 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.517 0.687 7.562 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.813 0.818 7.064 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.575 -0.783 7.216 1.00 0.47 H new ATOM 742 N HIS A 76 13.053 1.563 3.323 1.00 0.14 N ATOM 743 CA HIS A 76 12.025 2.568 3.060 1.00 0.12 C ATOM 744 C HIS A 76 10.769 1.900 2.520 1.00 0.10 C ATOM 745 O HIS A 76 9.648 2.223 2.925 1.00 0.10 O ATOM 746 CB HIS A 76 12.530 3.641 2.085 1.00 0.14 C ATOM 747 CG HIS A 76 13.468 4.622 2.716 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.481 5.261 2.028 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.536 5.078 3.985 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.130 6.061 2.852 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.576 5.967 4.043 1.00 0.19 N ATOM 0 H HIS A 76 13.821 1.555 2.652 1.00 0.14 H new ATOM 0 HA HIS A 76 11.785 3.064 4.000 1.00 0.12 H new ATOM 0 HB2 HIS A 76 13.033 3.154 1.249 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.676 4.179 1.674 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.890 4.794 4.803 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.972 6.686 2.594 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.874 6.475 4.876 1.00 0.19 H new ATOM 760 N VAL A 77 10.975 0.947 1.619 1.00 0.09 N ATOM 761 CA VAL A 77 9.895 0.180 1.050 1.00 0.07 C ATOM 762 C VAL A 77 9.185 -0.600 2.145 1.00 0.08 C ATOM 763 O VAL A 77 7.977 -0.484 2.309 1.00 0.08 O ATOM 764 CB VAL A 77 10.422 -0.784 -0.040 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.345 -1.762 -0.473 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.945 -0.003 -1.246 1.00 0.08 C ATOM 0 H VAL A 77 11.898 0.691 1.268 1.00 0.09 H new ATOM 0 HA VAL A 77 9.188 0.866 0.584 1.00 0.07 H new ATOM 0 HB VAL A 77 11.246 -1.353 0.390 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.744 -2.427 -1.239 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.022 -2.351 0.385 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.495 -1.212 -0.877 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.311 -0.700 -2.000 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.139 0.598 -1.668 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.759 0.651 -0.931 1.00 0.08 H new ATOM 776 N ARG A 78 9.952 -1.355 2.929 1.00 0.09 N ATOM 777 CA ARG A 78 9.381 -2.180 3.989 1.00 0.11 C ATOM 778 C ARG A 78 8.728 -1.338 5.087 1.00 0.10 C ATOM 779 O ARG A 78 7.804 -1.799 5.756 1.00 0.14 O ATOM 780 CB ARG A 78 10.439 -3.107 4.578 1.00 0.18 C ATOM 781 CG ARG A 78 10.826 -4.232 3.629 1.00 0.37 C ATOM 782 CD ARG A 78 11.459 -5.400 4.362 1.00 0.40 C ATOM 783 NE ARG A 78 12.883 -5.209 4.634 1.00 1.11 N ATOM 784 CZ ARG A 78 13.452 -5.478 5.808 1.00 1.43 C ATOM 785 NH1 ARG A 78 12.696 -5.735 6.868 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.774 -5.453 5.933 1.00 2.21 N ATOM 0 H ARG A 78 10.967 -1.412 2.850 1.00 0.09 H new ATOM 0 HA ARG A 78 8.595 -2.786 3.538 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.327 -2.526 4.828 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.065 -3.534 5.508 1.00 0.18 H new ATOM 0 HG2 ARG A 78 9.941 -4.576 3.094 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.523 -3.852 2.881 1.00 0.37 H new ATOM 0 HD2 ARG A 78 10.934 -5.556 5.304 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.328 -6.306 3.770 1.00 0.40 H new ATOM 0 HE ARG A 78 13.473 -4.850 3.883 1.00 1.11 H new ATOM 0 HH11 ARG A 78 11.680 -5.727 6.784 1.00 1.57 H new ATOM 0 HH12 ARG A 78 13.131 -5.941 7.767 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.358 -5.227 5.128 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.205 -5.660 6.834 1.00 2.21 H new ATOM 800 N ASP A 79 9.198 -0.104 5.253 1.00 0.11 N ATOM 801 CA ASP A 79 8.601 0.832 6.207 1.00 0.12 C ATOM 802 C ASP A 79 7.153 1.073 5.823 1.00 0.11 C ATOM 803 O ASP A 79 6.218 0.882 6.614 1.00 0.12 O ATOM 804 CB ASP A 79 9.350 2.168 6.176 1.00 0.16 C ATOM 805 CG ASP A 79 9.361 2.870 7.522 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.347 2.804 8.248 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.402 3.469 7.870 1.00 0.95 O ATOM 0 H ASP A 79 9.993 0.274 4.738 1.00 0.11 H new ATOM 0 HA ASP A 79 8.663 0.408 7.209 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.377 1.996 5.853 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.888 2.821 5.435 1.00 0.16 H new ATOM 812 N TRP A 80 6.980 1.424 4.563 1.00 0.10 N ATOM 813 CA TRP A 80 5.679 1.727 4.013 1.00 0.09 C ATOM 814 C TRP A 80 4.872 0.447 3.865 1.00 0.09 C ATOM 815 O TRP A 80 3.643 0.444 3.988 1.00 0.09 O ATOM 816 CB TRP A 80 5.901 2.408 2.666 1.00 0.09 C ATOM 817 CG TRP A 80 4.814 2.210 1.673 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.705 2.973 1.502 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.757 1.180 0.689 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.963 2.482 0.458 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.589 1.377 -0.053 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.586 0.109 0.368 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.232 0.547 -1.105 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.229 -0.717 -0.672 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.062 -0.494 -1.401 1.00 0.10 C ATOM 0 H TRP A 80 7.744 1.506 3.892 1.00 0.10 H new ATOM 0 HA TRP A 80 5.115 2.390 4.669 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.028 3.477 2.834 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.834 2.039 2.239 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.446 3.836 2.098 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.086 2.877 0.117 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.493 -0.070 0.926 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.328 0.719 -1.670 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.864 -1.553 -0.928 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.810 -1.158 -2.215 1.00 0.10 H new ATOM 836 N VAL A 81 5.599 -0.635 3.638 1.00 0.10 N ATOM 837 CA VAL A 81 5.028 -1.955 3.478 1.00 0.11 C ATOM 838 C VAL A 81 4.288 -2.361 4.746 1.00 0.11 C ATOM 839 O VAL A 81 3.091 -2.647 4.727 1.00 0.11 O ATOM 840 CB VAL A 81 6.150 -2.968 3.139 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.841 -4.368 3.626 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.410 -2.987 1.643 1.00 0.14 C ATOM 0 H VAL A 81 6.616 -0.617 3.559 1.00 0.10 H new ATOM 0 HA VAL A 81 4.311 -1.946 2.657 1.00 0.11 H new ATOM 0 HB VAL A 81 7.044 -2.633 3.664 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.661 -5.035 3.361 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.717 -4.358 4.709 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.921 -4.721 3.159 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.201 -3.703 1.420 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.499 -3.277 1.119 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.717 -1.994 1.314 1.00 0.14 H new ATOM 852 N MET A 82 5.000 -2.359 5.852 1.00 0.11 N ATOM 853 CA MET A 82 4.400 -2.718 7.119 1.00 0.12 C ATOM 854 C MET A 82 3.441 -1.642 7.618 1.00 0.11 C ATOM 855 O MET A 82 2.660 -1.903 8.523 1.00 0.12 O ATOM 856 CB MET A 82 5.455 -3.044 8.172 1.00 0.15 C ATOM 857 CG MET A 82 6.340 -1.872 8.556 1.00 0.13 C ATOM 858 SD MET A 82 7.718 -2.367 9.612 1.00 0.49 S ATOM 859 CE MET A 82 6.844 -3.203 10.932 1.00 0.42 C ATOM 0 H MET A 82 5.989 -2.114 5.900 1.00 0.11 H new ATOM 0 HA MET A 82 3.817 -3.622 6.946 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.955 -3.415 9.067 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.084 -3.852 7.800 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.729 -1.402 7.652 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.741 -1.122 9.073 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.499 -3.300 11.798 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.962 -2.625 11.208 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.538 -4.193 10.595 1.00 0.42 H new ATOM 869 N TRP A 83 3.490 -0.430 7.057 1.00 0.09 N ATOM 870 CA TRP A 83 2.575 0.612 7.508 1.00 0.09 C ATOM 871 C TRP A 83 1.134 0.303 7.100 1.00 0.09 C ATOM 872 O TRP A 83 0.271 0.164 7.957 1.00 0.11 O ATOM 873 CB TRP A 83 2.983 1.998 6.993 1.00 0.09 C ATOM 874 CG TRP A 83 2.015 3.065 7.391 1.00 0.10 C ATOM 875 CD1 TRP A 83 2.011 3.781 8.551 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.902 3.528 6.626 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.961 4.659 8.554 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.265 4.523 7.382 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.383 3.197 5.373 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.862 5.190 6.925 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.735 3.858 4.922 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.346 4.844 5.695 1.00 0.15 C ATOM 0 H TRP A 83 4.133 -0.155 6.314 1.00 0.09 H new ATOM 0 HA TRP A 83 2.633 0.628 8.596 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.972 2.248 7.377 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.061 1.970 5.906 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.730 3.672 9.349 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.734 5.309 9.307 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.852 2.435 4.768 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.339 5.955 7.520 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.146 3.610 3.955 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.222 5.346 5.313 1.00 0.15 H new ATOM 893 N ALA A 84 0.859 0.177 5.807 1.00 0.09 N ATOM 894 CA ALA A 84 -0.514 -0.101 5.385 1.00 0.10 C ATOM 895 C ALA A 84 -0.958 -1.422 5.993 1.00 0.10 C ATOM 896 O ALA A 84 -2.114 -1.607 6.376 1.00 0.12 O ATOM 897 CB ALA A 84 -0.637 -0.126 3.868 1.00 0.12 C ATOM 0 H ALA A 84 1.541 0.259 5.053 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.165 0.699 5.740 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.670 -0.335 3.590 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.341 0.842 3.463 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.012 -0.903 3.463 1.00 0.12 H new ATOM 903 N VAL A 85 0.006 -2.318 6.100 1.00 0.10 N ATOM 904 CA VAL A 85 -0.159 -3.576 6.797 1.00 0.11 C ATOM 905 C VAL A 85 -0.571 -3.385 8.263 1.00 0.13 C ATOM 906 O VAL A 85 -1.561 -3.964 8.708 1.00 0.14 O ATOM 907 CB VAL A 85 1.158 -4.387 6.698 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.354 -5.334 7.877 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.200 -5.156 5.394 1.00 0.14 C ATOM 0 H VAL A 85 0.935 -2.189 5.700 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.970 -4.125 6.319 1.00 0.11 H new ATOM 0 HB VAL A 85 1.979 -3.670 6.726 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.292 -5.876 7.756 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.384 -4.760 8.803 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.527 -6.043 7.916 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.130 -5.722 5.335 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.354 -5.842 5.349 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.147 -4.458 4.558 1.00 0.14 H new ATOM 919 N ASN A 86 0.173 -2.580 9.013 1.00 0.15 N ATOM 920 CA ASN A 86 -0.052 -2.476 10.451 1.00 0.19 C ATOM 921 C ASN A 86 -1.335 -1.720 10.787 1.00 0.23 C ATOM 922 O ASN A 86 -1.887 -1.878 11.874 1.00 0.27 O ATOM 923 CB ASN A 86 1.166 -1.886 11.177 1.00 0.23 C ATOM 924 CG ASN A 86 1.142 -0.379 11.400 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.595 0.365 10.465 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.647 0.108 12.409 1.00 0.32 N flip ATOM 0 H ASN A 86 0.929 -1.996 8.655 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.186 -3.493 10.819 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.259 -2.376 12.146 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.061 -2.135 10.606 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.063 -0.499 13.115 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.650 1.119 12.540 1.00 0.32 H new ATOM 933 N GLU A 87 -1.815 -0.906 9.853 1.00 0.24 N ATOM 934 CA GLU A 87 -3.055 -0.175 10.061 1.00 0.31 C ATOM 935 C GLU A 87 -4.209 -1.134 9.876 1.00 0.28 C ATOM 936 O GLU A 87 -5.141 -1.197 10.676 1.00 0.35 O ATOM 937 CB GLU A 87 -3.184 0.974 9.061 1.00 0.38 C ATOM 938 CG GLU A 87 -2.043 1.967 9.133 1.00 1.23 C ATOM 939 CD GLU A 87 -2.036 2.760 10.421 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.956 3.578 10.628 1.00 1.08 O ATOM 941 OE2 GLU A 87 -1.118 2.562 11.241 1.00 2.15 O ATOM 0 H GLU A 87 -1.367 -0.738 8.952 1.00 0.24 H new ATOM 0 HA GLU A 87 -3.060 0.246 11.066 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -3.235 0.564 8.052 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -4.123 1.498 9.240 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -1.097 1.434 9.035 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -2.111 2.654 8.289 1.00 1.23 H new ATOM 948 N PHE A 88 -4.094 -1.904 8.807 1.00 0.23 N ATOM 949 CA PHE A 88 -5.085 -2.888 8.422 1.00 0.23 C ATOM 950 C PHE A 88 -5.055 -4.120 9.304 1.00 0.25 C ATOM 951 O PHE A 88 -5.889 -5.011 9.159 1.00 0.30 O ATOM 952 CB PHE A 88 -4.839 -3.297 6.985 1.00 0.24 C ATOM 953 CG PHE A 88 -5.684 -2.521 6.035 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.969 -2.922 5.746 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.173 -1.398 5.403 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.733 -2.221 4.845 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.938 -0.688 4.504 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.287 -1.059 4.319 1.00 0.45 C ATOM 0 H PHE A 88 -3.296 -1.860 8.174 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.067 -2.430 8.537 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.787 -3.149 6.740 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.046 -4.361 6.870 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.380 -3.795 6.232 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.165 -1.076 5.618 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.700 -2.603 4.554 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.513 0.137 3.951 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.957 -0.420 3.762 1.00 0.45 H new ATOM 968 N SER A 89 -4.089 -4.157 10.217 1.00 0.27 N ATOM 969 CA SER A 89 -3.876 -5.316 11.065 1.00 0.34 C ATOM 970 C SER A 89 -3.590 -6.550 10.209 1.00 0.36 C ATOM 971 O SER A 89 -4.121 -7.629 10.460 1.00 0.48 O ATOM 972 CB SER A 89 -5.098 -5.555 11.960 1.00 0.45 C ATOM 973 OG SER A 89 -5.518 -4.346 12.578 1.00 1.07 O ATOM 0 H SER A 89 -3.439 -3.389 10.386 1.00 0.27 H new ATOM 0 HA SER A 89 -3.013 -5.128 11.704 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.914 -5.967 11.366 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.855 -6.294 12.724 1.00 0.45 H new ATOM 0 HG SER A 89 -6.300 -4.522 13.143 1.00 1.07 H new ATOM 979 N LEU A 90 -2.743 -6.387 9.195 1.00 0.31 N ATOM 980 CA LEU A 90 -2.372 -7.495 8.332 1.00 0.40 C ATOM 981 C LEU A 90 -1.370 -8.366 9.071 1.00 0.59 C ATOM 982 O LEU A 90 -1.427 -9.593 9.011 1.00 1.23 O ATOM 983 CB LEU A 90 -1.813 -6.947 7.012 1.00 0.33 C ATOM 984 CG LEU A 90 -2.708 -5.874 6.378 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.156 -5.415 5.044 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.126 -6.407 6.209 1.00 0.27 C ATOM 0 H LEU A 90 -2.304 -5.498 8.955 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.237 -8.110 8.084 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.823 -6.527 7.190 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.688 -7.770 6.308 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.728 -5.013 7.046 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.813 -4.655 4.621 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.160 -4.995 5.187 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.097 -6.264 4.363 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.753 -5.637 5.758 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.110 -7.286 5.564 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.531 -6.680 7.184 1.00 0.27 H new ATOM 998 N LYS A 91 -0.451 -7.688 9.759 1.00 0.24 N ATOM 999 CA LYS A 91 0.350 -8.264 10.849 1.00 0.39 C ATOM 1000 C LYS A 91 1.322 -9.368 10.426 1.00 0.26 C ATOM 1001 O LYS A 91 2.144 -9.794 11.240 1.00 0.39 O ATOM 1002 CB LYS A 91 -0.572 -8.806 11.945 1.00 0.78 C ATOM 1003 CG LYS A 91 -1.591 -7.800 12.458 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.936 -6.601 13.122 1.00 1.49 C ATOM 1005 CE LYS A 91 -0.308 -6.983 14.446 1.00 1.91 C ATOM 1006 NZ LYS A 91 0.203 -5.801 15.181 1.00 2.48 N ATOM 0 H LYS A 91 -0.236 -6.708 9.575 1.00 0.24 H new ATOM 0 HA LYS A 91 0.966 -7.441 11.213 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -1.101 -9.678 11.560 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.038 -9.147 12.782 1.00 0.78 H new ATOM 0 HG2 LYS A 91 -2.211 -7.459 11.629 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -2.254 -8.290 13.171 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -0.174 -6.187 12.461 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -1.679 -5.819 13.281 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -1.044 -7.501 15.060 1.00 1.91 H new ATOM 0 HE3 LYS A 91 0.510 -7.682 14.271 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 0.624 -6.107 16.081 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 0.925 -5.320 14.607 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -0.581 -5.145 15.372 1.00 2.48 H new ATOM 1020 N GLY A 92 1.262 -9.838 9.186 1.00 0.26 N ATOM 1021 CA GLY A 92 2.083 -10.964 8.799 1.00 0.31 C ATOM 1022 C GLY A 92 2.584 -10.824 7.381 1.00 0.31 C ATOM 1023 O GLY A 92 2.259 -11.630 6.510 1.00 0.47 O ATOM 0 H GLY A 92 0.665 -9.462 8.449 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.931 -11.048 9.479 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.507 -11.885 8.893 1.00 0.31 H new ATOM 1027 N VAL A 93 3.360 -9.783 7.147 1.00 0.21 N ATOM 1028 CA VAL A 93 3.960 -9.556 5.856 1.00 0.21 C ATOM 1029 C VAL A 93 5.287 -10.286 5.779 1.00 0.20 C ATOM 1030 O VAL A 93 6.047 -10.315 6.750 1.00 0.22 O ATOM 1031 CB VAL A 93 4.129 -8.041 5.584 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.574 -7.654 5.312 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.257 -7.642 4.417 1.00 0.23 C ATOM 0 H VAL A 93 3.589 -9.076 7.846 1.00 0.21 H new ATOM 0 HA VAL A 93 3.302 -9.949 5.081 1.00 0.21 H new ATOM 0 HB VAL A 93 3.823 -7.508 6.484 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.635 -6.581 5.128 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.188 -7.909 6.176 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.937 -8.193 4.437 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.374 -6.576 4.223 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.553 -8.206 3.532 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.214 -7.856 4.652 1.00 0.23 H new ATOM 1043 N ASP A 94 5.549 -10.904 4.641 1.00 0.21 N ATOM 1044 CA ASP A 94 6.789 -11.621 4.441 1.00 0.24 C ATOM 1045 C ASP A 94 7.854 -10.637 4.012 1.00 0.21 C ATOM 1046 O ASP A 94 8.045 -10.402 2.823 1.00 0.20 O ATOM 1047 CB ASP A 94 6.615 -12.708 3.381 1.00 0.32 C ATOM 1048 CG ASP A 94 5.611 -13.758 3.791 1.00 1.02 C ATOM 1049 OD1 ASP A 94 4.405 -13.558 3.543 1.00 1.94 O ATOM 1050 OD2 ASP A 94 6.018 -14.788 4.366 1.00 1.10 O ATOM 0 H ASP A 94 4.916 -10.922 3.841 1.00 0.21 H new ATOM 0 HA ASP A 94 7.085 -12.104 5.372 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.296 -12.250 2.445 1.00 0.32 H new ATOM 0 HB3 ASP A 94 7.577 -13.184 3.192 1.00 0.32 H new ATOM 1055 N PHE A 95 8.546 -10.067 4.986 1.00 0.23 N ATOM 1056 CA PHE A 95 9.452 -8.952 4.740 1.00 0.24 C ATOM 1057 C PHE A 95 10.561 -9.323 3.767 1.00 0.23 C ATOM 1058 O PHE A 95 11.091 -8.463 3.071 1.00 0.28 O ATOM 1059 CB PHE A 95 10.062 -8.455 6.050 1.00 0.29 C ATOM 1060 CG PHE A 95 9.065 -7.818 6.972 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.763 -6.470 6.865 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.433 -8.567 7.950 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.848 -5.883 7.719 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.518 -7.986 8.804 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.212 -6.635 8.671 1.00 0.61 C ATOM 0 H PHE A 95 8.498 -10.360 5.962 1.00 0.23 H new ATOM 0 HA PHE A 95 8.861 -8.155 4.289 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.535 -9.293 6.562 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.848 -7.735 5.825 1.00 0.29 H new ATOM 0 HD1 PHE A 95 9.247 -5.872 6.107 1.00 0.55 H new ATOM 0 HD2 PHE A 95 8.659 -9.619 8.046 1.00 0.41 H new ATOM 0 HE1 PHE A 95 7.634 -4.828 7.635 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.042 -8.577 9.572 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.475 -6.181 9.317 1.00 0.61 H new ATOM 1075 N GLN A 96 10.907 -10.599 3.715 1.00 0.21 N ATOM 1076 CA GLN A 96 11.974 -11.051 2.825 1.00 0.24 C ATOM 1077 C GLN A 96 11.474 -11.220 1.404 1.00 0.21 C ATOM 1078 O GLN A 96 12.258 -11.245 0.457 1.00 0.25 O ATOM 1079 CB GLN A 96 12.649 -12.335 3.335 1.00 0.33 C ATOM 1080 CG GLN A 96 11.844 -13.638 3.266 1.00 1.06 C ATOM 1081 CD GLN A 96 10.401 -13.507 3.686 1.00 1.50 C ATOM 1082 OE1 GLN A 96 9.523 -13.473 2.708 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 10.078 -13.497 4.871 1.00 1.93 N flip ATOM 0 H GLN A 96 10.473 -11.336 4.270 1.00 0.21 H new ATOM 0 HA GLN A 96 12.735 -10.270 2.821 1.00 0.24 H new ATOM 0 HB2 GLN A 96 13.569 -12.478 2.768 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.937 -12.173 4.374 1.00 0.33 H new ATOM 0 HG2 GLN A 96 11.879 -14.018 2.245 1.00 1.06 H new ATOM 0 HG3 GLN A 96 12.327 -14.382 3.899 1.00 1.06 H new ATOM 0 HE21 GLN A 96 10.796 -13.525 5.595 1.00 1.93 H new ATOM 0 HE22 GLN A 96 9.092 -13.461 5.131 1.00 1.93 H new ATOM 1092 N LYS A 97 10.165 -11.334 1.255 1.00 0.18 N ATOM 1093 CA LYS A 97 9.563 -11.380 -0.055 1.00 0.19 C ATOM 1094 C LYS A 97 9.337 -9.943 -0.479 1.00 0.17 C ATOM 1095 O LYS A 97 9.334 -9.606 -1.658 1.00 0.20 O ATOM 1096 CB LYS A 97 8.234 -12.152 -0.020 1.00 0.23 C ATOM 1097 CG LYS A 97 7.917 -12.935 -1.291 1.00 0.26 C ATOM 1098 CD LYS A 97 7.737 -12.025 -2.497 1.00 0.25 C ATOM 1099 CE LYS A 97 7.372 -12.806 -3.751 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.364 -13.867 -4.061 1.00 1.43 N ATOM 0 H LYS A 97 9.504 -11.396 2.029 1.00 0.18 H new ATOM 0 HA LYS A 97 10.210 -11.899 -0.762 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.254 -12.845 0.821 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.425 -11.446 0.167 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.721 -13.643 -1.489 1.00 0.26 H new ATOM 0 HG3 LYS A 97 7.009 -13.518 -1.139 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.957 -11.293 -2.286 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.658 -11.468 -2.672 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.388 -13.257 -3.622 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.300 -12.121 -4.596 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.192 -14.234 -5.019 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.324 -13.470 -4.010 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.272 -14.640 -3.372 1.00 1.43 H new ATOM 1114 N PHE A 98 9.216 -9.095 0.539 1.00 0.16 N ATOM 1115 CA PHE A 98 9.055 -7.666 0.364 1.00 0.16 C ATOM 1116 C PHE A 98 10.412 -7.005 0.221 1.00 0.20 C ATOM 1117 O PHE A 98 10.570 -5.807 0.470 1.00 0.22 O ATOM 1118 CB PHE A 98 8.311 -7.067 1.553 1.00 0.15 C ATOM 1119 CG PHE A 98 6.831 -7.125 1.392 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.138 -6.109 0.759 1.00 0.11 C ATOM 1121 CD2 PHE A 98 6.128 -8.197 1.900 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.772 -6.171 0.635 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.763 -8.268 1.772 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.092 -7.210 1.045 1.00 0.12 C ATOM 0 H PHE A 98 9.228 -9.390 1.515 1.00 0.16 H new ATOM 0 HA PHE A 98 8.473 -7.489 -0.541 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.595 -7.600 2.460 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.618 -6.029 1.684 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.675 -5.261 0.360 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.658 -8.991 2.405 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.246 -5.341 0.188 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.206 -9.088 2.201 1.00 0.13 H new ATOM 0 HZ PHE A 98 3.033 -7.279 0.842 1.00 0.12 H new ATOM 1134 N CYS A 99 11.397 -7.808 -0.151 1.00 0.26 N ATOM 1135 CA CYS A 99 12.742 -7.316 -0.385 1.00 0.31 C ATOM 1136 C CYS A 99 12.785 -6.487 -1.661 1.00 0.23 C ATOM 1137 O CYS A 99 13.207 -6.963 -2.715 1.00 0.27 O ATOM 1138 CB CYS A 99 13.703 -8.493 -0.516 1.00 0.45 C ATOM 1139 SG CYS A 99 15.450 -8.036 -0.616 1.00 1.20 S ATOM 0 H CYS A 99 11.286 -8.811 -0.298 1.00 0.26 H new ATOM 0 HA CYS A 99 13.038 -6.691 0.457 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.563 -9.155 0.338 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.439 -9.062 -1.407 1.00 0.45 H new ATOM 0 HG CYS A 99 15.806 -7.439 0.483 1.00 1.20 H new ATOM 1145 N MET A 100 12.343 -5.252 -1.570 1.00 0.19 N ATOM 1146 CA MET A 100 12.452 -4.342 -2.683 1.00 0.16 C ATOM 1147 C MET A 100 13.188 -3.096 -2.283 1.00 0.17 C ATOM 1148 O MET A 100 12.945 -2.525 -1.222 1.00 0.20 O ATOM 1149 CB MET A 100 11.087 -3.913 -3.237 1.00 0.22 C ATOM 1150 CG MET A 100 10.381 -4.954 -4.081 1.00 0.22 C ATOM 1151 SD MET A 100 9.492 -6.158 -3.079 1.00 0.13 S ATOM 1152 CE MET A 100 8.358 -5.089 -2.193 1.00 0.18 C ATOM 0 H MET A 100 11.906 -4.858 -0.737 1.00 0.19 H new ATOM 0 HA MET A 100 12.994 -4.888 -3.456 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.440 -3.646 -2.401 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.222 -3.012 -3.836 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.682 -4.459 -4.755 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.112 -5.471 -4.703 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.655 -5.031 -1.146 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.380 -4.092 -2.632 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.348 -5.493 -2.261 1.00 0.18 H new ATOM 1162 N SER A 101 14.097 -2.691 -3.132 1.00 0.16 N ATOM 1163 CA SER A 101 14.522 -1.321 -3.152 1.00 0.18 C ATOM 1164 C SER A 101 13.436 -0.588 -3.912 1.00 0.14 C ATOM 1165 O SER A 101 12.703 -1.228 -4.646 1.00 0.15 O ATOM 1166 CB SER A 101 15.882 -1.177 -3.838 1.00 0.24 C ATOM 1167 OG SER A 101 16.839 -2.030 -3.233 1.00 1.26 O ATOM 0 H SER A 101 14.555 -3.292 -3.817 1.00 0.16 H new ATOM 0 HA SER A 101 14.655 -0.917 -2.148 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.789 -1.419 -4.897 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.219 -0.142 -3.776 1.00 0.24 H new ATOM 0 HG SER A 101 17.702 -1.926 -3.685 1.00 1.26 H new ATOM 1173 N GLY A 102 13.285 0.697 -3.724 1.00 0.13 N ATOM 1174 CA GLY A 102 12.175 1.398 -4.327 1.00 0.14 C ATOM 1175 C GLY A 102 12.026 1.166 -5.818 1.00 0.14 C ATOM 1176 O GLY A 102 10.906 1.022 -6.310 1.00 0.16 O ATOM 0 H GLY A 102 13.909 1.278 -3.164 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.254 1.092 -3.830 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.295 2.466 -4.148 1.00 0.14 H new ATOM 1180 N ALA A 103 13.139 1.139 -6.546 1.00 0.17 N ATOM 1181 CA ALA A 103 13.102 0.835 -7.969 1.00 0.21 C ATOM 1182 C ALA A 103 12.491 -0.537 -8.195 1.00 0.21 C ATOM 1183 O ALA A 103 11.683 -0.733 -9.099 1.00 0.25 O ATOM 1184 CB ALA A 103 14.498 0.899 -8.565 1.00 0.26 C ATOM 0 H ALA A 103 14.071 1.323 -6.175 1.00 0.17 H new ATOM 0 HA ALA A 103 12.483 1.580 -8.468 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.450 0.669 -9.629 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.906 1.900 -8.428 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.140 0.174 -8.066 1.00 0.26 H new ATOM 1190 N ALA A 104 12.866 -1.474 -7.334 1.00 0.19 N ATOM 1191 CA ALA A 104 12.333 -2.822 -7.381 1.00 0.20 C ATOM 1192 C ALA A 104 10.869 -2.810 -6.974 1.00 0.16 C ATOM 1193 O ALA A 104 10.038 -3.475 -7.601 1.00 0.17 O ATOM 1194 CB ALA A 104 13.133 -3.741 -6.470 1.00 0.22 C ATOM 0 H ALA A 104 13.545 -1.319 -6.589 1.00 0.19 H new ATOM 0 HA ALA A 104 12.412 -3.200 -8.400 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.720 -4.749 -6.517 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.173 -3.760 -6.795 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.079 -3.374 -5.445 1.00 0.22 H new ATOM 1200 N LEU A 105 10.562 -2.059 -5.907 1.00 0.12 N ATOM 1201 CA LEU A 105 9.193 -1.844 -5.464 1.00 0.09 C ATOM 1202 C LEU A 105 8.287 -1.445 -6.606 1.00 0.12 C ATOM 1203 O LEU A 105 7.209 -1.970 -6.782 1.00 0.13 O ATOM 1204 CB LEU A 105 9.137 -0.733 -4.411 1.00 0.09 C ATOM 1205 CG LEU A 105 7.729 -0.483 -3.903 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.234 -1.686 -3.129 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.662 0.765 -3.060 1.00 0.14 C ATOM 0 H LEU A 105 11.261 -1.587 -5.333 1.00 0.12 H new ATOM 0 HA LEU A 105 8.850 -2.790 -5.045 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.780 -0.999 -3.572 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.534 0.188 -4.838 1.00 0.09 H new ATOM 0 HG LEU A 105 7.078 -0.329 -4.764 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.223 -1.496 -2.769 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.229 -2.560 -3.780 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.893 -1.869 -2.280 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.640 0.915 -2.712 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.326 0.660 -2.202 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.972 1.624 -3.656 1.00 0.14 H new ATOM 1219 N CYS A 106 8.710 -0.448 -7.313 1.00 0.21 N ATOM 1220 CA CYS A 106 7.992 0.033 -8.467 1.00 0.31 C ATOM 1221 C CYS A 106 7.936 -1.017 -9.576 1.00 0.34 C ATOM 1222 O CYS A 106 6.858 -1.329 -10.089 1.00 0.40 O ATOM 1223 CB CYS A 106 8.670 1.302 -8.960 1.00 0.39 C ATOM 1224 SG CYS A 106 7.763 2.197 -10.242 1.00 0.74 S ATOM 0 H CYS A 106 9.568 0.065 -7.112 1.00 0.21 H new ATOM 0 HA CYS A 106 6.961 0.245 -8.184 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.824 1.968 -8.111 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.656 1.044 -9.345 1.00 0.39 H new ATOM 0 HG CYS A 106 6.961 1.379 -10.857 1.00 0.74 H new ATOM 1230 N ALA A 107 9.095 -1.561 -9.933 1.00 0.33 N ATOM 1231 CA ALA A 107 9.220 -2.487 -11.058 1.00 0.41 C ATOM 1232 C ALA A 107 8.305 -3.710 -10.974 1.00 0.38 C ATOM 1233 O ALA A 107 7.905 -4.236 -12.011 1.00 0.46 O ATOM 1234 CB ALA A 107 10.664 -2.935 -11.194 1.00 0.47 C ATOM 0 H ALA A 107 9.975 -1.374 -9.452 1.00 0.33 H new ATOM 0 HA ALA A 107 8.899 -1.933 -11.940 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.753 -3.625 -12.033 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.299 -2.067 -11.369 1.00 0.47 H new ATOM 0 HB3 ALA A 107 10.977 -3.436 -10.278 1.00 0.47 H new ATOM 1240 N LEU A 108 7.977 -4.174 -9.767 1.00 0.29 N ATOM 1241 CA LEU A 108 7.200 -5.411 -9.626 1.00 0.26 C ATOM 1242 C LEU A 108 5.858 -5.354 -10.361 1.00 0.26 C ATOM 1243 O LEU A 108 5.446 -6.336 -10.978 1.00 0.28 O ATOM 1244 CB LEU A 108 6.998 -5.804 -8.144 1.00 0.21 C ATOM 1245 CG LEU A 108 6.722 -4.677 -7.140 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.344 -4.027 -7.340 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.870 -5.221 -5.730 1.00 0.19 C ATOM 0 H LEU A 108 8.230 -3.724 -8.887 1.00 0.29 H new ATOM 0 HA LEU A 108 7.795 -6.191 -10.102 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.168 -6.509 -8.094 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.889 -6.337 -7.814 1.00 0.21 H new ATOM 0 HG LEU A 108 7.453 -3.887 -7.310 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.204 -3.237 -6.602 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.284 -3.602 -8.342 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.565 -4.780 -7.218 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.675 -4.425 -5.011 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.158 -6.032 -5.576 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.883 -5.597 -5.590 1.00 0.19 H new ATOM 1259 N GLY A 109 5.195 -4.210 -10.323 1.00 0.27 N ATOM 1260 CA GLY A 109 3.867 -4.118 -10.892 1.00 0.32 C ATOM 1261 C GLY A 109 2.849 -4.853 -10.039 1.00 0.27 C ATOM 1262 O GLY A 109 3.220 -5.591 -9.121 1.00 0.23 O ATOM 0 H GLY A 109 5.550 -3.347 -9.911 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.580 -3.070 -10.983 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.871 -4.536 -11.899 1.00 0.32 H new ATOM 1266 N LYS A 110 1.572 -4.634 -10.319 1.00 0.33 N ATOM 1267 CA LYS A 110 0.500 -5.284 -9.573 1.00 0.36 C ATOM 1268 C LYS A 110 0.721 -6.785 -9.455 1.00 0.26 C ATOM 1269 O LYS A 110 0.700 -7.324 -8.350 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.853 -5.031 -10.218 1.00 0.56 C ATOM 1271 CG LYS A 110 -2.006 -5.312 -9.271 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.905 -6.432 -9.763 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.277 -7.825 -9.617 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.124 -8.884 -10.228 1.00 0.67 N ATOM 0 H LYS A 110 1.251 -4.010 -11.059 1.00 0.33 H new ATOM 0 HA LYS A 110 0.512 -4.848 -8.574 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -0.905 -3.995 -10.553 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.953 -5.658 -11.104 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -1.610 -5.573 -8.290 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -2.597 -4.405 -9.145 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -3.844 -6.405 -9.209 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.148 -6.259 -10.811 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.294 -7.831 -10.087 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.126 -8.046 -8.560 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -2.664 -9.809 -10.108 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.054 -8.897 -9.762 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.247 -8.688 -11.242 1.00 0.67 H new ATOM 1288 N GLU A 111 0.922 -7.450 -10.595 1.00 0.25 N ATOM 1289 CA GLU A 111 1.063 -8.906 -10.633 1.00 0.31 C ATOM 1290 C GLU A 111 2.027 -9.401 -9.566 1.00 0.27 C ATOM 1291 O GLU A 111 1.644 -10.158 -8.676 1.00 0.39 O ATOM 1292 CB GLU A 111 1.560 -9.356 -12.010 1.00 0.48 C ATOM 1293 CG GLU A 111 1.745 -10.863 -12.126 1.00 1.39 C ATOM 1294 CD GLU A 111 2.376 -11.278 -13.437 1.00 1.95 C ATOM 1295 OE1 GLU A 111 1.651 -11.366 -14.447 1.00 2.54 O ATOM 1296 OE2 GLU A 111 3.605 -11.512 -13.465 1.00 2.46 O ATOM 0 H GLU A 111 0.991 -7.000 -11.508 1.00 0.25 H new ATOM 0 HA GLU A 111 0.080 -9.334 -10.437 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.851 -9.025 -12.769 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.509 -8.864 -12.224 1.00 0.48 H new ATOM 0 HG2 GLU A 111 2.367 -11.212 -11.302 1.00 1.39 H new ATOM 0 HG3 GLU A 111 0.776 -11.352 -12.024 1.00 1.39 H new ATOM 1303 N CYS A 112 3.259 -8.935 -9.638 1.00 0.21 N ATOM 1304 CA CYS A 112 4.286 -9.394 -8.731 1.00 0.18 C ATOM 1305 C CYS A 112 3.947 -9.028 -7.299 1.00 0.15 C ATOM 1306 O CYS A 112 3.983 -9.885 -6.434 1.00 0.17 O ATOM 1307 CB CYS A 112 5.648 -8.830 -9.115 1.00 0.21 C ATOM 1308 SG CYS A 112 6.225 -9.356 -10.742 1.00 1.36 S ATOM 0 H CYS A 112 3.570 -8.239 -10.316 1.00 0.21 H new ATOM 0 HA CYS A 112 4.333 -10.480 -8.807 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.599 -7.741 -9.092 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.380 -9.132 -8.366 1.00 0.21 H new ATOM 0 HG CYS A 112 6.182 -8.350 -11.564 1.00 1.36 H new ATOM 1314 N PHE A 113 3.600 -7.764 -7.053 1.00 0.13 N ATOM 1315 CA PHE A 113 3.314 -7.305 -5.697 1.00 0.12 C ATOM 1316 C PHE A 113 2.213 -8.130 -5.015 1.00 0.13 C ATOM 1317 O PHE A 113 2.350 -8.522 -3.858 1.00 0.14 O ATOM 1318 CB PHE A 113 2.935 -5.815 -5.689 1.00 0.12 C ATOM 1319 CG PHE A 113 3.220 -5.162 -4.364 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.468 -5.497 -3.254 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.270 -4.259 -4.208 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.745 -4.954 -2.024 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.553 -3.725 -2.972 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.789 -4.072 -1.880 1.00 0.10 C ATOM 0 H PHE A 113 3.511 -7.045 -7.771 1.00 0.13 H new ATOM 0 HA PHE A 113 4.231 -7.445 -5.124 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.487 -5.297 -6.473 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.876 -5.710 -5.923 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.651 -6.196 -3.356 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.866 -3.976 -5.063 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.142 -5.220 -1.169 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.375 -3.033 -2.858 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.010 -3.651 -0.910 1.00 0.10 H new ATOM 1334 N LEU A 114 1.118 -8.400 -5.700 1.00 0.14 N ATOM 1335 CA LEU A 114 0.008 -9.080 -5.036 1.00 0.17 C ATOM 1336 C LEU A 114 0.291 -10.565 -4.909 1.00 0.22 C ATOM 1337 O LEU A 114 -0.305 -11.256 -4.087 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.326 -8.850 -5.735 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.546 -7.453 -6.321 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.026 -7.161 -6.433 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.880 -6.372 -5.500 1.00 0.50 C ATOM 0 H LEU A 114 0.968 -8.171 -6.683 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.077 -8.645 -4.040 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.422 -9.579 -6.540 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.126 -9.054 -5.023 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.088 -7.448 -7.310 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.170 -6.165 -6.851 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.494 -7.899 -7.085 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.482 -7.209 -5.444 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.066 -5.401 -5.958 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.287 -6.380 -4.489 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.194 -6.555 -5.460 1.00 0.50 H new ATOM 1353 N GLU A 115 1.183 -11.049 -5.750 1.00 0.22 N ATOM 1354 CA GLU A 115 1.702 -12.395 -5.618 1.00 0.28 C ATOM 1355 C GLU A 115 2.822 -12.414 -4.586 1.00 0.27 C ATOM 1356 O GLU A 115 3.253 -13.467 -4.114 1.00 0.37 O ATOM 1357 CB GLU A 115 2.233 -12.879 -6.959 1.00 0.37 C ATOM 1358 CG GLU A 115 1.144 -13.058 -8.000 1.00 0.48 C ATOM 1359 CD GLU A 115 0.316 -14.299 -7.752 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.877 -15.410 -7.846 1.00 2.21 O ATOM 1361 OE2 GLU A 115 -0.894 -14.170 -7.478 1.00 1.81 O ATOM 0 H GLU A 115 1.566 -10.526 -6.537 1.00 0.22 H new ATOM 0 HA GLU A 115 0.899 -13.057 -5.292 1.00 0.28 H new ATOM 0 HB2 GLU A 115 2.969 -12.166 -7.331 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.751 -13.827 -6.817 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.494 -12.183 -7.998 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.596 -13.117 -8.990 1.00 0.48 H new ATOM 1368 N LEU A 116 3.268 -11.220 -4.248 1.00 0.20 N ATOM 1369 CA LEU A 116 4.400 -11.005 -3.365 1.00 0.19 C ATOM 1370 C LEU A 116 3.954 -10.991 -1.903 1.00 0.22 C ATOM 1371 O LEU A 116 4.710 -11.355 -1.000 1.00 0.26 O ATOM 1372 CB LEU A 116 5.084 -9.697 -3.796 1.00 0.15 C ATOM 1373 CG LEU A 116 5.733 -8.848 -2.714 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.007 -8.226 -3.244 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.786 -7.761 -2.260 1.00 0.16 C ATOM 0 H LEU A 116 2.846 -10.355 -4.585 1.00 0.20 H new ATOM 0 HA LEU A 116 5.119 -11.821 -3.443 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.849 -9.945 -4.531 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.341 -9.082 -4.304 1.00 0.15 H new ATOM 0 HG LEU A 116 5.969 -9.487 -1.863 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.467 -7.619 -2.464 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.698 -9.013 -3.546 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.775 -7.597 -4.104 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.265 -7.162 -1.485 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.531 -7.123 -3.107 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.878 -8.213 -1.860 1.00 0.16 H new ATOM 1387 N ALA A 117 2.711 -10.599 -1.687 1.00 0.21 N ATOM 1388 CA ALA A 117 2.108 -10.626 -0.363 1.00 0.22 C ATOM 1389 C ALA A 117 0.810 -11.411 -0.423 1.00 0.23 C ATOM 1390 O ALA A 117 0.473 -11.944 -1.478 1.00 0.26 O ATOM 1391 CB ALA A 117 1.846 -9.210 0.134 1.00 0.22 C ATOM 0 H ALA A 117 2.092 -10.254 -2.420 1.00 0.21 H new ATOM 0 HA ALA A 117 2.793 -11.108 0.334 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.395 -9.250 1.125 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.787 -8.662 0.185 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.168 -8.703 -0.553 1.00 0.22 H new ATOM 1397 N PRO A 118 0.082 -11.551 0.696 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.311 -11.981 0.648 1.00 0.25 C ATOM 1399 C PRO A 118 -2.084 -11.155 -0.376 1.00 0.22 C ATOM 1400 O PRO A 118 -1.890 -9.947 -0.472 1.00 0.18 O ATOM 1401 CB PRO A 118 -1.810 -11.687 2.054 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.607 -11.830 2.918 1.00 0.32 C ATOM 1403 CD PRO A 118 0.559 -11.373 2.085 1.00 0.29 C ATOM 0 HA PRO A 118 -1.433 -13.025 0.358 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.231 -10.684 2.123 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.595 -12.383 2.349 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -0.701 -11.227 3.821 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.477 -12.864 3.237 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.817 -10.334 2.291 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.451 -11.968 2.282 1.00 0.29 H new ATOM 1411 N ASP A 119 -2.941 -11.811 -1.142 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.626 -11.168 -2.273 1.00 0.32 C ATOM 1413 C ASP A 119 -4.438 -9.933 -1.872 1.00 0.31 C ATOM 1414 O ASP A 119 -4.756 -9.110 -2.728 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.524 -12.164 -3.013 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.718 -12.616 -2.197 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -5.573 -13.550 -1.385 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -6.809 -12.026 -2.352 1.00 1.26 O ATOM 0 H ASP A 119 -3.185 -12.792 -1.008 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.834 -10.826 -2.940 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.877 -11.707 -3.938 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -3.933 -13.036 -3.294 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.771 -9.779 -0.592 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.473 -8.586 -0.146 1.00 0.32 C ATOM 1425 C PHE A 120 -4.455 -7.534 0.245 1.00 0.22 C ATOM 1426 O PHE A 120 -4.607 -6.352 -0.037 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.401 -8.892 1.033 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.252 -7.726 1.457 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.688 -6.801 0.524 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.620 -7.560 2.784 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.475 -5.732 0.904 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.407 -6.494 3.171 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.808 -5.568 2.252 1.00 1.86 C ATOM 0 H PHE A 120 -4.568 -10.457 0.143 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.094 -8.217 -0.962 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.051 -9.725 0.765 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -5.799 -9.218 1.881 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.409 -6.917 -0.513 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.287 -8.273 3.523 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.830 -5.028 0.166 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.706 -6.392 4.204 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.382 -4.709 2.566 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.399 -8.010 0.868 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.360 -7.172 1.416 1.00 0.17 C ATOM 1445 C VAL A 121 -1.478 -6.617 0.326 1.00 0.15 C ATOM 1446 O VAL A 121 -1.075 -5.456 0.375 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.531 -7.993 2.396 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.381 -7.177 2.956 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.455 -8.503 3.482 1.00 0.22 C ATOM 0 H VAL A 121 -3.238 -9.007 1.009 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.819 -6.328 1.932 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.076 -8.843 1.887 1.00 0.18 H new ATOM 0 HG11 VAL A 121 0.193 -7.788 3.652 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.265 -6.851 2.141 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -0.774 -6.305 3.478 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -1.884 -9.095 4.197 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -2.915 -7.658 3.995 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.233 -9.124 3.036 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.176 -7.453 -0.651 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.469 -6.993 -1.808 1.00 0.19 C ATOM 1461 C GLY A 122 -1.213 -5.865 -2.467 1.00 0.16 C ATOM 1462 O GLY A 122 -0.618 -4.860 -2.787 1.00 0.14 O ATOM 0 H GLY A 122 -1.412 -8.445 -0.657 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.529 -6.660 -1.523 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.342 -7.814 -2.514 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.526 -6.023 -2.629 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.355 -5.019 -3.293 1.00 0.19 C ATOM 1468 C ASP A 123 -3.488 -3.787 -2.411 1.00 0.13 C ATOM 1469 O ASP A 123 -3.468 -2.661 -2.892 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.736 -5.605 -3.605 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.642 -4.640 -4.347 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.556 -4.566 -5.591 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.475 -3.977 -3.694 1.00 1.07 O ATOM 0 H ASP A 123 -3.041 -6.843 -2.307 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.880 -4.727 -4.229 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.613 -6.509 -4.201 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.217 -5.901 -2.673 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.637 -4.024 -1.118 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.618 -2.963 -0.123 1.00 0.10 C ATOM 1480 C ILE A 124 -2.347 -2.132 -0.231 1.00 0.09 C ATOM 1481 O ILE A 124 -2.394 -0.921 -0.473 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.772 -3.554 1.300 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.252 -3.767 1.610 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.134 -2.654 2.356 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.502 -4.474 2.924 1.00 0.22 C ATOM 0 H ILE A 124 -3.774 -4.957 -0.728 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.463 -2.302 -0.315 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.252 -4.511 1.328 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.754 -2.799 1.627 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.703 -4.346 0.804 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.262 -3.102 3.341 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.071 -2.542 2.144 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.613 -1.675 2.337 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.575 -4.590 3.076 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.030 -5.456 2.904 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.081 -3.886 3.739 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.217 -2.781 -0.062 1.00 0.08 N ATOM 1498 CA LEU A 125 0.055 -2.130 -0.219 1.00 0.08 C ATOM 1499 C LEU A 125 0.224 -1.593 -1.633 1.00 0.09 C ATOM 1500 O LEU A 125 0.718 -0.491 -1.816 1.00 0.10 O ATOM 1501 CB LEU A 125 1.167 -3.096 0.156 1.00 0.08 C ATOM 1502 CG LEU A 125 1.541 -3.056 1.627 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.454 -4.214 1.980 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.210 -1.731 1.935 1.00 0.09 C ATOM 0 H LEU A 125 -1.158 -3.769 0.187 1.00 0.08 H new ATOM 0 HA LEU A 125 0.104 -1.271 0.450 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.859 -4.109 -0.104 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.050 -2.868 -0.441 1.00 0.08 H new ATOM 0 HG LEU A 125 0.638 -3.151 2.230 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.710 -4.166 3.039 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.945 -5.155 1.772 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.365 -4.154 1.384 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.481 -1.697 2.990 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.108 -1.627 1.326 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.523 -0.915 1.710 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.236 -2.345 -2.619 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.150 -1.916 -4.006 1.00 0.10 C ATOM 1518 C TRP A 126 -0.938 -0.628 -4.226 1.00 0.11 C ATOM 1519 O TRP A 126 -0.476 0.257 -4.938 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.636 -3.002 -4.970 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.723 -2.505 -6.370 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.851 -2.363 -7.115 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.362 -2.051 -7.177 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.536 -1.810 -8.338 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.175 -1.621 -8.400 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.740 -1.965 -6.978 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.623 -1.103 -9.418 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.529 -1.456 -7.990 1.00 0.22 C ATOM 1529 CH2 TRP A 126 1.969 -1.027 -9.195 1.00 0.25 C ATOM 0 H TRP A 126 -0.673 -3.257 -2.485 1.00 0.09 H new ATOM 0 HA TRP A 126 0.902 -1.727 -4.218 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.043 -3.854 -4.929 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.615 -3.359 -4.650 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.845 -2.642 -6.797 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.202 -1.579 -9.075 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.182 -2.291 -6.048 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.192 -0.773 -10.352 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.597 -1.388 -7.847 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.612 -0.628 -9.965 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.119 -0.521 -3.623 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.874 0.723 -3.676 1.00 0.12 C ATOM 1542 C GLU A 127 -2.019 1.862 -3.181 1.00 0.12 C ATOM 1543 O GLU A 127 -1.769 2.797 -3.911 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.155 0.670 -2.848 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.408 0.380 -3.656 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.688 1.396 -4.747 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -6.040 2.548 -4.417 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -5.513 1.061 -5.933 1.00 0.84 O ATOM 0 H GLU A 127 -2.568 -1.272 -3.099 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.157 0.876 -4.717 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.046 -0.096 -2.080 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.281 1.622 -2.333 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.316 -0.607 -4.108 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.263 0.343 -2.981 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.543 1.779 -1.949 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.724 2.858 -1.418 1.00 0.11 C ATOM 1557 C HIS A 128 0.548 3.023 -2.231 1.00 0.10 C ATOM 1558 O HIS A 128 1.038 4.132 -2.352 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.393 2.661 0.064 1.00 0.11 C ATOM 1560 CG HIS A 128 0.131 3.910 0.724 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.599 3.942 2.021 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.239 5.182 0.261 1.00 0.14 C ATOM 1563 CE1 HIS A 128 0.968 5.175 2.326 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.759 5.946 1.279 1.00 0.15 N ATOM 0 H HIS A 128 -1.703 0.999 -1.312 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.313 3.772 -1.499 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.288 2.328 0.589 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.348 1.867 0.162 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.033 5.529 -0.725 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.373 5.496 3.275 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.951 6.947 1.231 1.00 0.15 H new ATOM 1573 N LEU A 129 1.072 1.944 -2.794 1.00 0.10 N ATOM 1574 CA LEU A 129 2.194 2.047 -3.710 1.00 0.12 C ATOM 1575 C LEU A 129 1.790 2.930 -4.861 1.00 0.15 C ATOM 1576 O LEU A 129 2.472 3.902 -5.201 1.00 0.18 O ATOM 1577 CB LEU A 129 2.597 0.653 -4.217 1.00 0.11 C ATOM 1578 CG LEU A 129 3.747 0.614 -5.225 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.774 1.675 -4.896 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.411 -0.749 -5.207 1.00 0.13 C ATOM 0 H LEU A 129 0.739 0.993 -2.633 1.00 0.10 H new ATOM 0 HA LEU A 129 3.054 2.479 -3.198 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.872 0.041 -3.358 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.724 0.187 -4.674 1.00 0.11 H new ATOM 0 HG LEU A 129 3.339 0.806 -6.217 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.585 1.634 -5.623 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.305 2.658 -4.931 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.172 1.498 -3.897 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.228 -0.765 -5.928 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.803 -0.950 -4.210 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.680 -1.513 -5.470 1.00 0.13 H new ATOM 1592 N GLU A 130 0.639 2.604 -5.408 1.00 0.17 N ATOM 1593 CA GLU A 130 0.069 3.332 -6.502 1.00 0.23 C ATOM 1594 C GLU A 130 -0.197 4.777 -6.086 1.00 0.25 C ATOM 1595 O GLU A 130 0.042 5.720 -6.833 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.223 2.618 -6.953 1.00 0.27 C ATOM 1597 CG GLU A 130 -2.111 3.395 -7.914 1.00 0.69 C ATOM 1598 CD GLU A 130 -1.538 3.515 -9.308 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -1.450 2.488 -10.010 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -1.126 4.633 -9.687 1.00 1.73 O ATOM 0 H GLU A 130 0.072 1.815 -5.096 1.00 0.17 H new ATOM 0 HA GLU A 130 0.762 3.360 -7.343 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.948 1.675 -7.425 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.808 2.372 -6.067 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -3.084 2.907 -7.971 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -2.279 4.394 -7.512 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.675 4.924 -4.870 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.968 6.217 -4.285 1.00 0.21 C ATOM 1609 C ILE A 131 0.306 7.067 -4.066 1.00 0.22 C ATOM 1610 O ILE A 131 0.333 8.238 -4.413 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.731 6.029 -2.956 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.255 5.917 -3.182 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.442 7.176 -1.998 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.701 4.857 -4.173 1.00 0.23 C ATOM 0 H ILE A 131 -0.874 4.139 -4.250 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.594 6.764 -4.990 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.379 5.095 -2.517 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.731 5.714 -2.223 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.625 6.884 -3.523 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.991 7.021 -1.069 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.373 7.213 -1.786 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.755 8.117 -2.452 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.788 4.868 -4.253 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.264 5.065 -5.150 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.372 3.876 -3.829 1.00 0.23 H new ATOM 1626 N LEU A 132 1.363 6.487 -3.497 1.00 0.18 N ATOM 1627 CA LEU A 132 2.598 7.254 -3.247 1.00 0.20 C ATOM 1628 C LEU A 132 3.074 7.890 -4.532 1.00 0.25 C ATOM 1629 O LEU A 132 3.546 9.023 -4.553 1.00 0.29 O ATOM 1630 CB LEU A 132 3.741 6.386 -2.729 1.00 0.21 C ATOM 1631 CG LEU A 132 3.422 5.481 -1.561 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.040 4.133 -1.843 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.957 6.043 -0.245 1.00 0.25 C ATOM 0 H LEU A 132 1.397 5.511 -3.204 1.00 0.18 H new ATOM 0 HA LEU A 132 2.346 7.997 -2.490 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.101 5.768 -3.552 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.563 7.041 -2.439 1.00 0.21 H new ATOM 0 HG LEU A 132 2.341 5.399 -1.452 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.827 3.455 -1.016 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.621 3.726 -2.763 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.119 4.243 -1.953 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.707 5.363 0.569 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.040 6.150 -0.309 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.506 7.017 -0.056 1.00 0.25 H new ATOM 1645 N GLN A 133 2.923 7.143 -5.609 1.00 0.28 N ATOM 1646 CA GLN A 133 3.388 7.591 -6.896 1.00 0.38 C ATOM 1647 C GLN A 133 2.338 8.492 -7.529 1.00 0.37 C ATOM 1648 O GLN A 133 2.674 9.391 -8.296 1.00 0.47 O ATOM 1649 CB GLN A 133 3.740 6.395 -7.795 1.00 0.58 C ATOM 1650 CG GLN A 133 2.562 5.742 -8.500 1.00 0.79 C ATOM 1651 CD GLN A 133 2.762 4.252 -8.718 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.346 3.582 -7.735 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 2.353 3.701 -9.736 1.00 0.31 N flip ATOM 0 H GLN A 133 2.481 6.224 -5.612 1.00 0.28 H new ATOM 0 HA GLN A 133 4.303 8.171 -6.771 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.455 6.726 -8.548 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.242 5.641 -7.189 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.658 5.901 -7.912 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.405 6.228 -9.463 1.00 0.79 H new ATOM 0 HE21 GLN A 133 1.909 4.252 -10.471 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.457 2.692 -9.847 1.00 0.31 H new