USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 940 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 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 ASN : amide:sc= -0.0215 K(o=-0.022,f=-2.2!) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00673) USER MOD Single : A 48 GLN : amide:sc= -0.355 K(o=-0.36,f=-1.5) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 54 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.377 F(o=-2.1!,f=-0.38) USER MOD Single : A 72 THR OG1 : rot -67:sc= 1.33 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.144) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.394 F(o=-1.3,f=-0.39) USER MOD Single : A 93 TYR OH : rot 33:sc= 0.744 USER MOD Single : A 96 THR OG1 : rot -36:sc= 0.527 USER MOD Single : A 99 MET CE :methyl -152:sc= -0.464 (180deg=-0.536) USER MOD Single : A 104 THR OG1 : rot 103:sc= 1.21 USER MOD Single : A 108 SER OG : rot 24:sc= 1.25 USER MOD Single : A 122 ASN : amide:sc= -0.0277 K(o=-0.028,f=-1.5!) USER MOD Single : A 130 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-3.6!) USER MOD Single : A 132 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.17) USER MOD Single : A 133 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.6) USER MOD Single : A 142 GLN :FLIP amide:sc= -0.963 F(o=-2.3,f=-0.96) USER MOD Single : A 144 MET CE :methyl -171:sc=-0.00775 (180deg=-0.136) USER MOD Single : A 146 TYR OH : rot 25:sc= 0.33 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -8.297 4.779 -3.404 1.00 60.14 N ATOM 240 CA ALA A 18 -7.218 4.221 -4.212 1.00 64.33 C ATOM 241 C ALA A 18 -6.773 5.219 -5.261 1.00 62.53 C ATOM 242 O ALA A 18 -7.593 5.710 -6.047 1.00 43.43 O ATOM 243 CB ALA A 18 -7.675 2.943 -4.881 1.00 4.34 C ATOM 0 HA ALA A 18 -6.375 3.999 -3.557 1.00 64.33 H new ATOM 0 HB1 ALA A 18 -6.862 2.536 -5.481 1.00 4.34 H new ATOM 0 HB2 ALA A 18 -7.964 2.217 -4.121 1.00 4.34 H new ATOM 0 HB3 ALA A 18 -8.530 3.154 -5.524 1.00 4.34 H new ATOM 249 N GLY A 19 -5.498 5.529 -5.270 1.00 52.12 N ATOM 250 CA GLY A 19 -4.995 6.506 -6.179 1.00 34.25 C ATOM 251 C GLY A 19 -4.130 5.945 -7.280 1.00 43.35 C ATOM 252 O GLY A 19 -4.598 5.145 -8.112 1.00 35.43 O ATOM 0 H GLY A 19 -4.798 5.114 -4.655 1.00 52.12 H new ATOM 0 HA2 GLY A 19 -5.836 7.034 -6.628 1.00 34.25 H new ATOM 0 HA3 GLY A 19 -4.418 7.242 -5.620 1.00 34.25 H new ATOM 256 N ASP A 20 -2.874 6.329 -7.280 1.00 12.23 N ATOM 257 CA ASP A 20 -1.971 6.011 -8.375 1.00 22.23 C ATOM 258 C ASP A 20 -1.172 4.747 -8.119 1.00 72.41 C ATOM 259 O ASP A 20 -0.560 4.585 -7.068 1.00 60.33 O ATOM 260 CB ASP A 20 -1.037 7.196 -8.664 1.00 62.33 C ATOM 261 CG ASP A 20 -0.061 6.939 -9.801 1.00 62.41 C ATOM 262 OD1 ASP A 20 -0.492 6.935 -10.987 1.00 34.15 O ATOM 263 OD2 ASP A 20 1.148 6.794 -9.555 1.00 62.41 O ATOM 0 H ASP A 20 -2.446 6.868 -6.527 1.00 12.23 H new ATOM 0 HA ASP A 20 -2.587 5.823 -9.254 1.00 22.23 H new ATOM 0 HB2 ASP A 20 -1.639 8.072 -8.904 1.00 62.33 H new ATOM 0 HB3 ASP A 20 -0.475 7.434 -7.761 1.00 62.33 H new ATOM 268 N ASP A 21 -1.218 3.858 -9.087 1.00 51.21 N ATOM 269 CA ASP A 21 -0.493 2.592 -9.071 1.00 30.13 C ATOM 270 C ASP A 21 1.012 2.818 -9.102 1.00 12.12 C ATOM 271 O ASP A 21 1.546 3.424 -10.036 1.00 35.04 O ATOM 272 CB ASP A 21 -0.945 1.740 -10.255 1.00 4.14 C ATOM 273 CG ASP A 21 -0.025 0.583 -10.563 1.00 1.22 C ATOM 274 OD1 ASP A 21 -0.010 -0.400 -9.825 1.00 20.13 O ATOM 275 OD2 ASP A 21 0.664 0.640 -11.596 1.00 65.32 O ATOM 0 H ASP A 21 -1.773 3.993 -9.932 1.00 51.21 H new ATOM 0 HA ASP A 21 -0.718 2.065 -8.144 1.00 30.13 H new ATOM 0 HB2 ASP A 21 -1.944 1.353 -10.051 1.00 4.14 H new ATOM 0 HB3 ASP A 21 -1.023 2.375 -11.138 1.00 4.14 H new ATOM 280 N VAL A 22 1.686 2.344 -8.087 1.00 62.24 N ATOM 281 CA VAL A 22 3.112 2.569 -7.950 1.00 62.32 C ATOM 282 C VAL A 22 3.948 1.386 -8.454 1.00 44.24 C ATOM 283 O VAL A 22 5.047 1.585 -8.996 1.00 14.43 O ATOM 284 CB VAL A 22 3.481 2.895 -6.476 1.00 10.12 C ATOM 285 CG1 VAL A 22 4.970 3.169 -6.311 1.00 3.22 C ATOM 286 CG2 VAL A 22 2.677 4.082 -5.988 1.00 12.24 C ATOM 0 H VAL A 22 1.271 1.795 -7.334 1.00 62.24 H new ATOM 0 HA VAL A 22 3.352 3.426 -8.579 1.00 62.32 H new ATOM 0 HB VAL A 22 3.238 2.019 -5.874 1.00 10.12 H new ATOM 0 HG11 VAL A 22 5.185 3.393 -5.266 1.00 3.22 H new ATOM 0 HG12 VAL A 22 5.538 2.291 -6.619 1.00 3.22 H new ATOM 0 HG13 VAL A 22 5.254 4.020 -6.930 1.00 3.22 H new ATOM 0 HG21 VAL A 22 2.943 4.302 -4.954 1.00 12.24 H new ATOM 0 HG22 VAL A 22 2.894 4.950 -6.611 1.00 12.24 H new ATOM 0 HG23 VAL A 22 1.614 3.850 -6.047 1.00 12.24 H new ATOM 296 N LEU A 23 3.434 0.182 -8.324 1.00 32.25 N ATOM 297 CA LEU A 23 4.220 -0.985 -8.675 1.00 4.15 C ATOM 298 C LEU A 23 4.209 -1.322 -10.163 1.00 62.51 C ATOM 299 O LEU A 23 3.332 -0.890 -10.921 1.00 61.14 O ATOM 300 CB LEU A 23 3.935 -2.224 -7.770 1.00 21.50 C ATOM 301 CG LEU A 23 2.466 -2.638 -7.476 1.00 0.31 C ATOM 302 CD1 LEU A 23 1.682 -2.903 -8.735 1.00 45.54 C ATOM 303 CD2 LEU A 23 2.446 -3.888 -6.623 1.00 10.24 C ATOM 0 H LEU A 23 2.493 -0.015 -7.984 1.00 32.25 H new ATOM 0 HA LEU A 23 5.247 -0.690 -8.460 1.00 4.15 H new ATOM 0 HB2 LEU A 23 4.431 -3.081 -8.225 1.00 21.50 H new ATOM 0 HB3 LEU A 23 4.422 -2.046 -6.811 1.00 21.50 H new ATOM 0 HG LEU A 23 1.999 -1.804 -6.953 1.00 0.31 H new ATOM 0 HD11 LEU A 23 0.663 -3.189 -8.475 1.00 45.54 H new ATOM 0 HD12 LEU A 23 1.662 -2.002 -9.347 1.00 45.54 H new ATOM 0 HD13 LEU A 23 2.154 -3.711 -9.294 1.00 45.54 H new ATOM 0 HD21 LEU A 23 1.414 -4.174 -6.420 1.00 10.24 H new ATOM 0 HD22 LEU A 23 2.949 -4.697 -7.152 1.00 10.24 H new ATOM 0 HD23 LEU A 23 2.961 -3.695 -5.682 1.00 10.24 H new ATOM 315 N ASP A 24 5.201 -2.082 -10.560 1.00 12.23 N ATOM 316 CA ASP A 24 5.366 -2.544 -11.929 1.00 43.12 C ATOM 317 C ASP A 24 4.155 -3.397 -12.370 1.00 52.10 C ATOM 318 O ASP A 24 3.543 -4.085 -11.540 1.00 71.22 O ATOM 319 CB ASP A 24 6.689 -3.339 -12.027 1.00 72.34 C ATOM 320 CG ASP A 24 6.852 -4.096 -13.314 1.00 64.31 C ATOM 321 OD1 ASP A 24 6.309 -5.199 -13.429 1.00 2.02 O ATOM 322 OD2 ASP A 24 7.540 -3.607 -14.242 1.00 35.22 O ATOM 0 H ASP A 24 5.935 -2.407 -9.931 1.00 12.23 H new ATOM 0 HA ASP A 24 5.413 -1.690 -12.605 1.00 43.12 H new ATOM 0 HB2 ASP A 24 7.525 -2.649 -11.915 1.00 72.34 H new ATOM 0 HB3 ASP A 24 6.742 -4.041 -11.195 1.00 72.34 H new ATOM 327 N PRO A 25 3.770 -3.337 -13.674 1.00 72.10 N ATOM 328 CA PRO A 25 2.615 -4.061 -14.212 1.00 21.32 C ATOM 329 C PRO A 25 2.539 -5.550 -13.866 1.00 54.22 C ATOM 330 O PRO A 25 1.439 -6.049 -13.615 1.00 12.12 O ATOM 331 CB PRO A 25 2.743 -3.886 -15.721 1.00 73.04 C ATOM 332 CG PRO A 25 3.447 -2.594 -15.887 1.00 74.31 C ATOM 333 CD PRO A 25 4.383 -2.475 -14.716 1.00 34.50 C ATOM 0 HA PRO A 25 1.703 -3.657 -13.772 1.00 21.32 H new ATOM 0 HB2 PRO A 25 3.306 -4.705 -16.169 1.00 73.04 H new ATOM 0 HB3 PRO A 25 1.765 -3.870 -16.203 1.00 73.04 H new ATOM 0 HG2 PRO A 25 3.996 -2.567 -16.829 1.00 74.31 H new ATOM 0 HG3 PRO A 25 2.740 -1.765 -15.906 1.00 74.31 H new ATOM 0 HD2 PRO A 25 5.387 -2.812 -14.972 1.00 34.50 H new ATOM 0 HD3 PRO A 25 4.470 -1.442 -14.379 1.00 34.50 H new ATOM 341 N ASP A 26 3.660 -6.249 -13.813 1.00 14.13 N ATOM 342 CA ASP A 26 3.606 -7.672 -13.558 1.00 15.13 C ATOM 343 C ASP A 26 3.905 -8.066 -12.116 1.00 33.34 C ATOM 344 O ASP A 26 4.030 -9.264 -11.809 1.00 65.31 O ATOM 345 CB ASP A 26 4.385 -8.525 -14.584 1.00 21.34 C ATOM 346 CG ASP A 26 5.874 -8.273 -14.717 1.00 20.13 C ATOM 347 OD1 ASP A 26 6.267 -7.368 -15.479 1.00 43.54 O ATOM 348 OD2 ASP A 26 6.684 -9.046 -14.170 1.00 3.34 O ATOM 0 H ASP A 26 4.596 -5.863 -13.940 1.00 14.13 H new ATOM 0 HA ASP A 26 2.555 -7.919 -13.708 1.00 15.13 H new ATOM 0 HB2 ASP A 26 4.243 -9.574 -14.326 1.00 21.34 H new ATOM 0 HB3 ASP A 26 3.929 -8.373 -15.563 1.00 21.34 H new ATOM 353 N GLU A 27 3.946 -7.085 -11.220 1.00 13.43 N ATOM 354 CA GLU A 27 4.080 -7.369 -9.792 1.00 63.12 C ATOM 355 C GLU A 27 2.808 -8.040 -9.290 1.00 20.42 C ATOM 356 O GLU A 27 1.715 -7.727 -9.777 1.00 14.35 O ATOM 357 CB GLU A 27 4.349 -6.093 -8.984 1.00 32.34 C ATOM 358 CG GLU A 27 5.735 -5.524 -9.175 1.00 3.44 C ATOM 359 CD GLU A 27 6.813 -6.427 -8.631 1.00 31.13 C ATOM 360 OE1 GLU A 27 7.155 -7.419 -9.287 1.00 13.11 O ATOM 361 OE2 GLU A 27 7.359 -6.145 -7.536 1.00 12.44 O ATOM 0 H GLU A 27 3.889 -6.094 -11.453 1.00 13.43 H new ATOM 0 HA GLU A 27 4.933 -8.034 -9.655 1.00 63.12 H new ATOM 0 HB2 GLU A 27 3.616 -5.337 -9.264 1.00 32.34 H new ATOM 0 HB3 GLU A 27 4.198 -6.307 -7.926 1.00 32.34 H new ATOM 0 HG2 GLU A 27 5.911 -5.354 -10.237 1.00 3.44 H new ATOM 0 HG3 GLU A 27 5.796 -4.554 -8.682 1.00 3.44 H new ATOM 368 N PRO A 28 2.925 -8.982 -8.343 1.00 11.33 N ATOM 369 CA PRO A 28 1.776 -9.721 -7.811 1.00 32.40 C ATOM 370 C PRO A 28 0.727 -8.794 -7.156 1.00 54.24 C ATOM 371 O PRO A 28 1.050 -7.955 -6.283 1.00 71.42 O ATOM 372 CB PRO A 28 2.406 -10.676 -6.782 1.00 41.32 C ATOM 373 CG PRO A 28 3.721 -10.063 -6.448 1.00 45.42 C ATOM 374 CD PRO A 28 4.188 -9.409 -7.709 1.00 1.41 C ATOM 0 HA PRO A 28 1.224 -10.240 -8.594 1.00 32.40 H new ATOM 0 HB2 PRO A 28 1.778 -10.773 -5.896 1.00 41.32 H new ATOM 0 HB3 PRO A 28 2.530 -11.677 -7.195 1.00 41.32 H new ATOM 0 HG2 PRO A 28 3.622 -9.336 -5.642 1.00 45.42 H new ATOM 0 HG3 PRO A 28 4.432 -10.818 -6.111 1.00 45.42 H new ATOM 0 HD2 PRO A 28 4.845 -8.563 -7.507 1.00 1.41 H new ATOM 0 HD3 PRO A 28 4.744 -10.101 -8.341 1.00 1.41 H new ATOM 382 N THR A 29 -0.507 -8.950 -7.557 1.00 2.35 N ATOM 383 CA THR A 29 -1.582 -8.117 -7.092 1.00 73.11 C ATOM 384 C THR A 29 -2.771 -8.957 -6.615 1.00 34.12 C ATOM 385 O THR A 29 -2.813 -10.172 -6.815 1.00 42.11 O ATOM 386 CB THR A 29 -2.043 -7.150 -8.218 1.00 71.44 C ATOM 387 OG1 THR A 29 -2.244 -7.888 -9.443 1.00 22.31 O ATOM 388 CG2 THR A 29 -1.034 -6.030 -8.448 1.00 0.01 C ATOM 0 H THR A 29 -0.796 -9.667 -8.223 1.00 2.35 H new ATOM 0 HA THR A 29 -1.210 -7.537 -6.247 1.00 73.11 H new ATOM 0 HB THR A 29 -2.981 -6.693 -7.903 1.00 71.44 H new ATOM 0 HG1 THR A 29 -2.536 -7.275 -10.150 1.00 22.31 H new ATOM 0 HG21 THR A 29 -1.392 -5.375 -9.242 1.00 0.01 H new ATOM 0 HG22 THR A 29 -0.914 -5.455 -7.530 1.00 0.01 H new ATOM 0 HG23 THR A 29 -0.074 -6.459 -8.736 1.00 0.01 H new ATOM 396 N TYR A 30 -3.661 -8.308 -5.926 1.00 13.35 N ATOM 397 CA TYR A 30 -4.919 -8.835 -5.482 1.00 24.24 C ATOM 398 C TYR A 30 -5.993 -7.854 -5.833 1.00 51.21 C ATOM 399 O TYR A 30 -5.720 -6.677 -6.033 1.00 21.33 O ATOM 400 CB TYR A 30 -4.958 -9.113 -3.980 1.00 55.13 C ATOM 401 CG TYR A 30 -4.276 -10.381 -3.541 1.00 34.34 C ATOM 402 CD1 TYR A 30 -4.561 -11.586 -4.157 1.00 23.22 C ATOM 403 CD2 TYR A 30 -3.386 -10.381 -2.494 1.00 3.04 C ATOM 404 CE1 TYR A 30 -3.967 -12.755 -3.745 1.00 62.21 C ATOM 405 CE2 TYR A 30 -2.784 -11.544 -2.072 1.00 62.04 C ATOM 406 CZ TYR A 30 -3.077 -12.733 -2.705 1.00 23.41 C ATOM 407 OH TYR A 30 -2.473 -13.900 -2.296 1.00 4.51 O ATOM 0 H TYR A 30 -3.521 -7.339 -5.641 1.00 13.35 H new ATOM 0 HA TYR A 30 -5.071 -9.792 -5.981 1.00 24.24 H new ATOM 0 HB2 TYR A 30 -4.497 -8.273 -3.460 1.00 55.13 H new ATOM 0 HB3 TYR A 30 -6.000 -9.152 -3.662 1.00 55.13 H new ATOM 0 HD1 TYR A 30 -5.263 -11.609 -4.977 1.00 23.22 H new ATOM 0 HD2 TYR A 30 -3.155 -9.452 -1.994 1.00 3.04 H new ATOM 0 HE1 TYR A 30 -4.201 -13.686 -4.239 1.00 62.21 H new ATOM 0 HE2 TYR A 30 -2.085 -11.525 -1.249 1.00 62.04 H new ATOM 0 HH TYR A 30 -1.869 -13.711 -1.548 1.00 4.51 H new ATOM 417 N ASP A 31 -7.180 -8.317 -5.871 1.00 40.44 N ATOM 418 CA ASP A 31 -8.337 -7.524 -6.191 1.00 64.40 C ATOM 419 C ASP A 31 -9.390 -7.901 -5.191 1.00 33.15 C ATOM 420 O ASP A 31 -9.273 -8.962 -4.584 1.00 22.41 O ATOM 421 CB ASP A 31 -8.809 -7.811 -7.630 1.00 0.32 C ATOM 422 CG ASP A 31 -9.094 -9.278 -7.888 1.00 63.43 C ATOM 423 OD1 ASP A 31 -8.165 -10.021 -8.253 1.00 22.54 O ATOM 424 OD2 ASP A 31 -10.245 -9.710 -7.762 1.00 32.22 O ATOM 0 H ASP A 31 -7.400 -9.294 -5.675 1.00 40.44 H new ATOM 0 HA ASP A 31 -8.117 -6.458 -6.143 1.00 64.40 H new ATOM 0 HB2 ASP A 31 -9.711 -7.232 -7.831 1.00 0.32 H new ATOM 0 HB3 ASP A 31 -8.047 -7.468 -8.330 1.00 0.32 H new ATOM 429 N LEU A 32 -10.387 -7.044 -4.994 1.00 13.15 N ATOM 430 CA LEU A 32 -11.386 -7.209 -3.917 1.00 74.44 C ATOM 431 C LEU A 32 -11.974 -8.630 -3.794 1.00 43.32 C ATOM 432 O LEU A 32 -11.856 -9.229 -2.724 1.00 63.23 O ATOM 433 CB LEU A 32 -12.485 -6.126 -3.949 1.00 12.55 C ATOM 434 CG LEU A 32 -12.023 -4.673 -3.738 1.00 51.01 C ATOM 435 CD1 LEU A 32 -13.212 -3.728 -3.763 1.00 53.33 C ATOM 436 CD2 LEU A 32 -11.257 -4.523 -2.427 1.00 51.31 C ATOM 0 H LEU A 32 -10.534 -6.214 -5.569 1.00 13.15 H new ATOM 0 HA LEU A 32 -10.815 -7.062 -3.001 1.00 74.44 H new ATOM 0 HB2 LEU A 32 -12.995 -6.186 -4.910 1.00 12.55 H new ATOM 0 HB3 LEU A 32 -13.222 -6.365 -3.182 1.00 12.55 H new ATOM 0 HG LEU A 32 -11.350 -4.414 -4.555 1.00 51.01 H new ATOM 0 HD11 LEU A 32 -12.867 -2.705 -3.612 1.00 53.33 H new ATOM 0 HD12 LEU A 32 -13.716 -3.803 -4.727 1.00 53.33 H new ATOM 0 HD13 LEU A 32 -13.907 -3.997 -2.968 1.00 53.33 H new ATOM 0 HD21 LEU A 32 -10.943 -3.486 -2.305 1.00 51.31 H new ATOM 0 HD22 LEU A 32 -11.901 -4.807 -1.595 1.00 51.31 H new ATOM 0 HD23 LEU A 32 -10.379 -5.168 -2.443 1.00 51.31 H new ATOM 448 N PRO A 33 -12.591 -9.219 -4.861 1.00 23.03 N ATOM 449 CA PRO A 33 -13.100 -10.587 -4.777 1.00 63.43 C ATOM 450 C PRO A 33 -11.994 -11.615 -4.444 1.00 34.14 C ATOM 451 O PRO A 33 -12.230 -12.567 -3.682 1.00 11.41 O ATOM 452 CB PRO A 33 -13.721 -10.867 -6.155 1.00 73.24 C ATOM 453 CG PRO A 33 -13.266 -9.762 -7.048 1.00 12.11 C ATOM 454 CD PRO A 33 -12.889 -8.602 -6.173 1.00 10.03 C ATOM 0 HA PRO A 33 -13.823 -10.684 -3.967 1.00 63.43 H new ATOM 0 HB2 PRO A 33 -13.398 -11.835 -6.538 1.00 73.24 H new ATOM 0 HB3 PRO A 33 -14.809 -10.895 -6.093 1.00 73.24 H new ATOM 0 HG2 PRO A 33 -12.415 -10.081 -7.650 1.00 12.11 H new ATOM 0 HG3 PRO A 33 -14.058 -9.478 -7.741 1.00 12.11 H new ATOM 0 HD2 PRO A 33 -12.024 -8.069 -6.568 1.00 10.03 H new ATOM 0 HD3 PRO A 33 -13.701 -7.879 -6.098 1.00 10.03 H new ATOM 462 N ARG A 34 -10.785 -11.398 -4.963 1.00 52.22 N ATOM 463 CA ARG A 34 -9.668 -12.291 -4.715 1.00 72.32 C ATOM 464 C ARG A 34 -9.225 -12.179 -3.254 1.00 60.15 C ATOM 465 O ARG A 34 -8.847 -13.170 -2.631 1.00 53.23 O ATOM 466 CB ARG A 34 -8.518 -11.924 -5.641 1.00 22.24 C ATOM 467 CG ARG A 34 -7.408 -12.943 -5.755 1.00 13.43 C ATOM 468 CD ARG A 34 -7.918 -14.231 -6.357 1.00 24.41 C ATOM 469 NE ARG A 34 -6.819 -15.070 -6.848 1.00 42.12 N ATOM 470 CZ ARG A 34 -6.949 -16.318 -7.317 1.00 41.21 C ATOM 471 NH1 ARG A 34 -8.047 -17.013 -7.077 1.00 32.05 N ATOM 472 NH2 ARG A 34 -5.939 -16.897 -7.961 1.00 31.55 N ATOM 0 H ARG A 34 -10.560 -10.603 -5.561 1.00 52.22 H new ATOM 0 HA ARG A 34 -9.973 -13.319 -4.908 1.00 72.32 H new ATOM 0 HB2 ARG A 34 -8.923 -11.744 -6.637 1.00 22.24 H new ATOM 0 HB3 ARG A 34 -8.087 -10.984 -5.298 1.00 22.24 H new ATOM 0 HG2 ARG A 34 -6.603 -12.542 -6.371 1.00 13.43 H new ATOM 0 HG3 ARG A 34 -6.987 -13.140 -4.769 1.00 13.43 H new ATOM 0 HD2 ARG A 34 -8.491 -14.781 -5.610 1.00 24.41 H new ATOM 0 HD3 ARG A 34 -8.599 -14.005 -7.178 1.00 24.41 H new ATOM 0 HE ARG A 34 -5.881 -14.671 -6.831 1.00 42.12 H new ATOM 0 HH11 ARG A 34 -8.803 -16.600 -6.531 1.00 32.05 H new ATOM 0 HH12 ARG A 34 -8.138 -17.963 -7.438 1.00 32.05 H new ATOM 0 HH21 ARG A 34 -5.064 -16.391 -8.098 1.00 31.55 H new ATOM 0 HH22 ARG A 34 -6.039 -17.847 -8.318 1.00 31.55 H new ATOM 486 N VAL A 35 -9.267 -10.969 -2.722 1.00 75.31 N ATOM 487 CA VAL A 35 -8.918 -10.718 -1.326 1.00 2.54 C ATOM 488 C VAL A 35 -9.967 -11.303 -0.403 1.00 45.34 C ATOM 489 O VAL A 35 -9.638 -11.896 0.623 1.00 53.43 O ATOM 490 CB VAL A 35 -8.717 -9.207 -1.009 1.00 51.20 C ATOM 491 CG1 VAL A 35 -8.351 -8.991 0.453 1.00 52.25 C ATOM 492 CG2 VAL A 35 -7.652 -8.614 -1.890 1.00 63.14 C ATOM 0 H VAL A 35 -9.542 -10.134 -3.239 1.00 75.31 H new ATOM 0 HA VAL A 35 -7.961 -11.210 -1.156 1.00 2.54 H new ATOM 0 HB VAL A 35 -9.664 -8.705 -1.207 1.00 51.20 H new ATOM 0 HG11 VAL A 35 -8.218 -7.926 0.641 1.00 52.25 H new ATOM 0 HG12 VAL A 35 -9.149 -9.375 1.088 1.00 52.25 H new ATOM 0 HG13 VAL A 35 -7.424 -9.518 0.678 1.00 52.25 H new ATOM 0 HG21 VAL A 35 -7.529 -7.558 -1.651 1.00 63.14 H new ATOM 0 HG22 VAL A 35 -6.710 -9.136 -1.724 1.00 63.14 H new ATOM 0 HG23 VAL A 35 -7.945 -8.718 -2.935 1.00 63.14 H new ATOM 502 N ALA A 36 -11.222 -11.158 -0.793 1.00 3.33 N ATOM 503 CA ALA A 36 -12.336 -11.696 -0.023 1.00 73.41 C ATOM 504 C ALA A 36 -12.172 -13.199 0.107 1.00 60.43 C ATOM 505 O ALA A 36 -12.408 -13.798 1.164 1.00 44.41 O ATOM 506 CB ALA A 36 -13.656 -11.361 -0.707 1.00 53.30 C ATOM 0 H ALA A 36 -11.498 -10.669 -1.644 1.00 3.33 H new ATOM 0 HA ALA A 36 -12.343 -11.249 0.971 1.00 73.41 H new ATOM 0 HB1 ALA A 36 -14.482 -11.768 -0.123 1.00 53.30 H new ATOM 0 HB2 ALA A 36 -13.763 -10.279 -0.782 1.00 53.30 H new ATOM 0 HB3 ALA A 36 -13.669 -11.797 -1.706 1.00 53.30 H new ATOM 512 N GLU A 37 -11.715 -13.777 -0.968 1.00 12.55 N ATOM 513 CA GLU A 37 -11.447 -15.178 -1.075 1.00 22.34 C ATOM 514 C GLU A 37 -10.255 -15.553 -0.186 1.00 51.32 C ATOM 515 O GLU A 37 -10.315 -16.508 0.579 1.00 12.21 O ATOM 516 CB GLU A 37 -11.093 -15.436 -2.517 1.00 61.43 C ATOM 517 CG GLU A 37 -10.988 -16.882 -2.907 1.00 32.33 C ATOM 518 CD GLU A 37 -10.692 -17.027 -4.361 1.00 2.10 C ATOM 519 OE1 GLU A 37 -9.540 -16.805 -4.769 1.00 51.10 O ATOM 520 OE2 GLU A 37 -11.604 -17.355 -5.127 1.00 41.43 O ATOM 0 H GLU A 37 -11.512 -13.263 -1.825 1.00 12.55 H new ATOM 0 HA GLU A 37 -12.308 -15.767 -0.759 1.00 22.34 H new ATOM 0 HB2 GLU A 37 -11.844 -14.961 -3.148 1.00 61.43 H new ATOM 0 HB3 GLU A 37 -10.142 -14.949 -2.732 1.00 61.43 H new ATOM 0 HG2 GLU A 37 -10.203 -17.363 -2.323 1.00 32.33 H new ATOM 0 HG3 GLU A 37 -11.921 -17.394 -2.670 1.00 32.33 H new ATOM 527 N LEU A 38 -9.208 -14.745 -0.259 1.00 53.23 N ATOM 528 CA LEU A 38 -7.967 -14.984 0.459 1.00 22.34 C ATOM 529 C LEU A 38 -8.168 -14.899 1.970 1.00 54.42 C ATOM 530 O LEU A 38 -7.666 -15.729 2.715 1.00 51.31 O ATOM 531 CB LEU A 38 -6.908 -13.959 0.034 1.00 0.21 C ATOM 532 CG LEU A 38 -5.517 -14.142 0.643 1.00 12.01 C ATOM 533 CD1 LEU A 38 -4.820 -15.369 0.063 1.00 21.42 C ATOM 534 CD2 LEU A 38 -4.677 -12.896 0.459 1.00 63.41 C ATOM 0 H LEU A 38 -9.197 -13.896 -0.825 1.00 53.23 H new ATOM 0 HA LEU A 38 -7.632 -15.991 0.211 1.00 22.34 H new ATOM 0 HB2 LEU A 38 -6.815 -13.991 -1.052 1.00 0.21 H new ATOM 0 HB3 LEU A 38 -7.269 -12.964 0.294 1.00 0.21 H new ATOM 0 HG LEU A 38 -5.639 -14.307 1.714 1.00 12.01 H new ATOM 0 HD11 LEU A 38 -3.833 -15.474 0.514 1.00 21.42 H new ATOM 0 HD12 LEU A 38 -5.413 -16.259 0.275 1.00 21.42 H new ATOM 0 HD13 LEU A 38 -4.715 -15.252 -1.016 1.00 21.42 H new ATOM 0 HD21 LEU A 38 -3.693 -13.052 0.901 1.00 63.41 H new ATOM 0 HD22 LEU A 38 -4.568 -12.685 -0.605 1.00 63.41 H new ATOM 0 HD23 LEU A 38 -5.165 -12.053 0.948 1.00 63.41 H new ATOM 546 N LEU A 39 -8.898 -13.897 2.415 1.00 65.11 N ATOM 547 CA LEU A 39 -9.109 -13.702 3.842 1.00 55.31 C ATOM 548 C LEU A 39 -10.265 -14.550 4.368 1.00 65.31 C ATOM 549 O LEU A 39 -10.356 -14.806 5.565 1.00 60.54 O ATOM 550 CB LEU A 39 -9.365 -12.224 4.150 1.00 12.24 C ATOM 551 CG LEU A 39 -8.234 -11.239 3.825 1.00 22.32 C ATOM 552 CD1 LEU A 39 -8.668 -9.817 4.146 1.00 23.31 C ATOM 553 CD2 LEU A 39 -6.969 -11.586 4.599 1.00 20.45 C ATOM 0 H LEU A 39 -9.354 -13.207 1.817 1.00 65.11 H new ATOM 0 HA LEU A 39 -8.200 -14.024 4.349 1.00 55.31 H new ATOM 0 HB2 LEU A 39 -10.254 -11.913 3.601 1.00 12.24 H new ATOM 0 HB3 LEU A 39 -9.598 -12.134 5.211 1.00 12.24 H new ATOM 0 HG LEU A 39 -8.015 -11.314 2.760 1.00 22.32 H new ATOM 0 HD11 LEU A 39 -7.857 -9.127 3.911 1.00 23.31 H new ATOM 0 HD12 LEU A 39 -9.545 -9.561 3.552 1.00 23.31 H new ATOM 0 HD13 LEU A 39 -8.913 -9.742 5.205 1.00 23.31 H new ATOM 0 HD21 LEU A 39 -6.183 -10.873 4.350 1.00 20.45 H new ATOM 0 HD22 LEU A 39 -7.174 -11.542 5.669 1.00 20.45 H new ATOM 0 HD23 LEU A 39 -6.644 -12.592 4.332 1.00 20.45 H new ATOM 565 N GLY A 40 -11.123 -15.003 3.478 1.00 42.33 N ATOM 566 CA GLY A 40 -12.258 -15.810 3.891 1.00 3.14 C ATOM 567 C GLY A 40 -13.396 -14.958 4.431 1.00 61.31 C ATOM 568 O GLY A 40 -14.268 -15.444 5.163 1.00 70.25 O ATOM 0 H GLY A 40 -11.060 -14.830 2.475 1.00 42.33 H new ATOM 0 HA2 GLY A 40 -12.614 -16.396 3.043 1.00 3.14 H new ATOM 0 HA3 GLY A 40 -11.940 -16.518 4.656 1.00 3.14 H new ATOM 572 N VAL A 41 -13.397 -13.696 4.061 1.00 72.01 N ATOM 573 CA VAL A 41 -14.412 -12.755 4.507 1.00 60.43 C ATOM 574 C VAL A 41 -15.001 -12.060 3.291 1.00 65.41 C ATOM 575 O VAL A 41 -14.338 -11.972 2.277 1.00 75.22 O ATOM 576 CB VAL A 41 -13.852 -11.692 5.522 1.00 11.12 C ATOM 577 CG1 VAL A 41 -13.356 -12.356 6.799 1.00 53.53 C ATOM 578 CG2 VAL A 41 -12.744 -10.846 4.898 1.00 52.55 C ATOM 0 H VAL A 41 -12.696 -13.289 3.442 1.00 72.01 H new ATOM 0 HA VAL A 41 -15.180 -13.316 5.039 1.00 60.43 H new ATOM 0 HB VAL A 41 -14.678 -11.029 5.778 1.00 11.12 H new ATOM 0 HG11 VAL A 41 -12.975 -11.595 7.480 1.00 53.53 H new ATOM 0 HG12 VAL A 41 -14.179 -12.890 7.275 1.00 53.53 H new ATOM 0 HG13 VAL A 41 -12.559 -13.059 6.558 1.00 53.53 H new ATOM 0 HG21 VAL A 41 -12.382 -10.123 5.629 1.00 52.55 H new ATOM 0 HG22 VAL A 41 -11.922 -11.493 4.590 1.00 52.55 H new ATOM 0 HG23 VAL A 41 -13.135 -10.318 4.029 1.00 52.55 H new ATOM 588 N PRO A 42 -16.256 -11.610 3.351 1.00 4.25 N ATOM 589 CA PRO A 42 -16.896 -10.926 2.227 1.00 41.14 C ATOM 590 C PRO A 42 -16.231 -9.579 1.887 1.00 65.32 C ATOM 591 O PRO A 42 -15.496 -8.987 2.717 1.00 72.04 O ATOM 592 CB PRO A 42 -18.337 -10.710 2.706 1.00 63.03 C ATOM 593 CG PRO A 42 -18.257 -10.779 4.186 1.00 74.22 C ATOM 594 CD PRO A 42 -17.169 -11.757 4.491 1.00 54.13 C ATOM 0 HA PRO A 42 -16.821 -11.510 1.310 1.00 41.14 H new ATOM 0 HB2 PRO A 42 -18.724 -9.746 2.375 1.00 63.03 H new ATOM 0 HB3 PRO A 42 -19.005 -11.475 2.310 1.00 63.03 H new ATOM 0 HG2 PRO A 42 -18.034 -9.801 4.611 1.00 74.22 H new ATOM 0 HG3 PRO A 42 -19.205 -11.104 4.614 1.00 74.22 H new ATOM 0 HD2 PRO A 42 -16.675 -11.528 5.435 1.00 54.13 H new ATOM 0 HD3 PRO A 42 -17.553 -12.774 4.571 1.00 54.13 H new ATOM 602 N VAL A 43 -16.532 -9.085 0.683 1.00 54.15 N ATOM 603 CA VAL A 43 -15.986 -7.833 0.145 1.00 35.35 C ATOM 604 C VAL A 43 -16.271 -6.657 1.075 1.00 24.22 C ATOM 605 O VAL A 43 -15.452 -5.751 1.220 1.00 12.44 O ATOM 606 CB VAL A 43 -16.536 -7.539 -1.292 1.00 4.34 C ATOM 607 CG1 VAL A 43 -15.964 -6.243 -1.861 1.00 72.42 C ATOM 608 CG2 VAL A 43 -16.234 -8.699 -2.231 1.00 1.11 C ATOM 0 H VAL A 43 -17.174 -9.552 0.042 1.00 54.15 H new ATOM 0 HA VAL A 43 -14.905 -7.958 0.075 1.00 35.35 H new ATOM 0 HB VAL A 43 -17.616 -7.421 -1.208 1.00 4.34 H new ATOM 0 HG11 VAL A 43 -16.369 -6.074 -2.859 1.00 72.42 H new ATOM 0 HG12 VAL A 43 -16.236 -5.410 -1.213 1.00 72.42 H new ATOM 0 HG13 VAL A 43 -14.878 -6.319 -1.918 1.00 72.42 H new ATOM 0 HG21 VAL A 43 -16.624 -8.475 -3.224 1.00 1.11 H new ATOM 0 HG22 VAL A 43 -15.156 -8.848 -2.290 1.00 1.11 H new ATOM 0 HG23 VAL A 43 -16.705 -9.606 -1.852 1.00 1.11 H new ATOM 618 N SER A 44 -17.402 -6.719 1.730 1.00 3.02 N ATOM 619 CA SER A 44 -17.838 -5.715 2.652 1.00 72.01 C ATOM 620 C SER A 44 -16.823 -5.519 3.795 1.00 35.52 C ATOM 621 O SER A 44 -16.435 -4.394 4.105 1.00 24.30 O ATOM 622 CB SER A 44 -19.190 -6.148 3.165 1.00 15.23 C ATOM 623 OG SER A 44 -19.146 -7.528 3.529 1.00 62.15 O ATOM 0 H SER A 44 -18.059 -7.493 1.630 1.00 3.02 H new ATOM 0 HA SER A 44 -17.914 -4.745 2.160 1.00 72.01 H new ATOM 0 HB2 SER A 44 -19.474 -5.543 4.026 1.00 15.23 H new ATOM 0 HB3 SER A 44 -19.949 -5.988 2.399 1.00 15.23 H new ATOM 0 HG SER A 44 -20.024 -7.806 3.863 1.00 62.15 H new ATOM 629 N LYS A 45 -16.350 -6.623 4.370 1.00 1.41 N ATOM 630 CA LYS A 45 -15.365 -6.554 5.442 1.00 72.24 C ATOM 631 C LYS A 45 -14.019 -6.068 4.935 1.00 22.45 C ATOM 632 O LYS A 45 -13.327 -5.317 5.630 1.00 25.23 O ATOM 633 CB LYS A 45 -15.221 -7.877 6.201 1.00 63.23 C ATOM 634 CG LYS A 45 -16.369 -8.180 7.151 1.00 3.31 C ATOM 635 CD LYS A 45 -16.097 -9.449 7.944 1.00 4.21 C ATOM 636 CE LYS A 45 -17.123 -9.665 9.051 1.00 42.12 C ATOM 637 NZ LYS A 45 -18.499 -9.813 8.533 1.00 55.45 N ATOM 0 H LYS A 45 -16.632 -7.569 4.112 1.00 1.41 H new ATOM 0 HA LYS A 45 -15.743 -5.821 6.154 1.00 72.24 H new ATOM 0 HB2 LYS A 45 -15.138 -8.690 5.479 1.00 63.23 H new ATOM 0 HB3 LYS A 45 -14.290 -7.858 6.768 1.00 63.23 H new ATOM 0 HG2 LYS A 45 -16.511 -7.343 7.834 1.00 3.31 H new ATOM 0 HG3 LYS A 45 -17.294 -8.291 6.586 1.00 3.31 H new ATOM 0 HD2 LYS A 45 -16.106 -10.306 7.270 1.00 4.21 H new ATOM 0 HD3 LYS A 45 -15.099 -9.397 8.380 1.00 4.21 H new ATOM 0 HE2 LYS A 45 -16.856 -10.556 9.620 1.00 42.12 H new ATOM 0 HE3 LYS A 45 -17.088 -8.823 9.742 1.00 42.12 H new ATOM 0 HZ1 LYS A 45 -19.150 -9.991 9.324 1.00 55.45 H new ATOM 0 HZ2 LYS A 45 -18.781 -8.941 8.042 1.00 55.45 H new ATOM 0 HZ3 LYS A 45 -18.536 -10.612 7.868 1.00 55.45 H new ATOM 651 N VAL A 46 -13.669 -6.475 3.720 1.00 33.01 N ATOM 652 CA VAL A 46 -12.424 -6.038 3.076 1.00 71.44 C ATOM 653 C VAL A 46 -12.459 -4.530 2.871 1.00 51.42 C ATOM 654 O VAL A 46 -11.521 -3.817 3.250 1.00 34.51 O ATOM 655 CB VAL A 46 -12.201 -6.747 1.709 1.00 70.51 C ATOM 656 CG1 VAL A 46 -10.905 -6.281 1.059 1.00 4.43 C ATOM 657 CG2 VAL A 46 -12.199 -8.259 1.873 1.00 54.43 C ATOM 0 H VAL A 46 -14.230 -7.111 3.154 1.00 33.01 H new ATOM 0 HA VAL A 46 -11.595 -6.308 3.730 1.00 71.44 H new ATOM 0 HB VAL A 46 -13.030 -6.475 1.055 1.00 70.51 H new ATOM 0 HG11 VAL A 46 -10.772 -6.791 0.105 1.00 4.43 H new ATOM 0 HG12 VAL A 46 -10.948 -5.205 0.892 1.00 4.43 H new ATOM 0 HG13 VAL A 46 -10.065 -6.513 1.714 1.00 4.43 H new ATOM 0 HG21 VAL A 46 -12.041 -8.730 0.903 1.00 54.43 H new ATOM 0 HG22 VAL A 46 -11.398 -8.550 2.552 1.00 54.43 H new ATOM 0 HG23 VAL A 46 -13.156 -8.582 2.282 1.00 54.43 H new ATOM 667 N ALA A 47 -13.566 -4.049 2.328 1.00 24.13 N ATOM 668 CA ALA A 47 -13.759 -2.632 2.084 1.00 63.22 C ATOM 669 C ALA A 47 -13.662 -1.851 3.384 1.00 64.04 C ATOM 670 O ALA A 47 -13.068 -0.786 3.424 1.00 31.45 O ATOM 671 CB ALA A 47 -15.098 -2.381 1.404 1.00 2.13 C ATOM 0 H ALA A 47 -14.354 -4.631 2.045 1.00 24.13 H new ATOM 0 HA ALA A 47 -12.969 -2.287 1.416 1.00 63.22 H new ATOM 0 HB1 ALA A 47 -15.223 -1.312 1.230 1.00 2.13 H new ATOM 0 HB2 ALA A 47 -15.127 -2.910 0.451 1.00 2.13 H new ATOM 0 HB3 ALA A 47 -15.904 -2.741 2.043 1.00 2.13 H new ATOM 677 N GLN A 48 -14.207 -2.418 4.453 1.00 53.43 N ATOM 678 CA GLN A 48 -14.167 -1.790 5.770 1.00 42.04 C ATOM 679 C GLN A 48 -12.743 -1.615 6.284 1.00 51.32 C ATOM 680 O GLN A 48 -12.436 -0.605 6.910 1.00 34.53 O ATOM 681 CB GLN A 48 -15.011 -2.557 6.786 1.00 33.22 C ATOM 682 CG GLN A 48 -16.506 -2.453 6.551 1.00 33.53 C ATOM 683 CD GLN A 48 -17.003 -1.029 6.667 1.00 73.52 C ATOM 684 OE1 GLN A 48 -17.039 -0.284 5.689 1.00 32.52 O ATOM 685 NE2 GLN A 48 -17.392 -0.642 7.848 1.00 43.21 N ATOM 0 H GLN A 48 -14.686 -3.319 4.434 1.00 53.43 H new ATOM 0 HA GLN A 48 -14.598 -0.796 5.648 1.00 42.04 H new ATOM 0 HB2 GLN A 48 -14.722 -3.608 6.763 1.00 33.22 H new ATOM 0 HB3 GLN A 48 -14.784 -2.186 7.785 1.00 33.22 H new ATOM 0 HG2 GLN A 48 -16.745 -2.840 5.560 1.00 33.53 H new ATOM 0 HG3 GLN A 48 -17.030 -3.079 7.273 1.00 33.53 H new ATOM 0 HE21 GLN A 48 -17.348 -1.288 8.636 1.00 43.21 H new ATOM 0 HE22 GLN A 48 -17.741 0.307 7.985 1.00 43.21 H new ATOM 694 N GLN A 49 -11.872 -2.583 5.991 1.00 12.41 N ATOM 695 CA GLN A 49 -10.469 -2.514 6.416 1.00 40.32 C ATOM 696 C GLN A 49 -9.813 -1.329 5.753 1.00 31.15 C ATOM 697 O GLN A 49 -9.213 -0.468 6.408 1.00 53.03 O ATOM 698 CB GLN A 49 -9.708 -3.779 6.017 1.00 24.02 C ATOM 699 CG GLN A 49 -10.269 -5.052 6.595 1.00 15.24 C ATOM 700 CD GLN A 49 -9.453 -6.274 6.215 1.00 30.25 C ATOM 701 OE1 GLN A 49 -8.835 -6.322 5.158 1.00 63.52 O ATOM 702 NE2 GLN A 49 -9.443 -7.260 7.072 1.00 2.31 N ATOM 0 H GLN A 49 -12.111 -3.422 5.463 1.00 12.41 H new ATOM 0 HA GLN A 49 -10.443 -2.417 7.501 1.00 40.32 H new ATOM 0 HB2 GLN A 49 -9.705 -3.859 4.930 1.00 24.02 H new ATOM 0 HB3 GLN A 49 -8.669 -3.678 6.332 1.00 24.02 H new ATOM 0 HG2 GLN A 49 -10.307 -4.968 7.681 1.00 15.24 H new ATOM 0 HG3 GLN A 49 -11.295 -5.183 6.250 1.00 15.24 H new ATOM 0 HE21 GLN A 49 -9.970 -7.185 7.942 1.00 2.31 H new ATOM 0 HE22 GLN A 49 -8.909 -8.105 6.871 1.00 2.31 H new ATOM 711 N LEU A 50 -9.987 -1.274 4.461 1.00 5.34 N ATOM 712 CA LEU A 50 -9.449 -0.204 3.637 1.00 52.45 C ATOM 713 C LEU A 50 -10.034 1.155 4.023 1.00 52.52 C ATOM 714 O LEU A 50 -9.309 2.139 4.131 1.00 62.42 O ATOM 715 CB LEU A 50 -9.647 -0.494 2.137 1.00 41.04 C ATOM 716 CG LEU A 50 -8.615 -1.420 1.463 1.00 3.13 C ATOM 717 CD1 LEU A 50 -8.690 -2.845 1.978 1.00 62.05 C ATOM 718 CD2 LEU A 50 -8.770 -1.387 -0.039 1.00 34.23 C ATOM 0 H LEU A 50 -10.511 -1.974 3.936 1.00 5.34 H new ATOM 0 HA LEU A 50 -8.376 -0.161 3.825 1.00 52.45 H new ATOM 0 HB2 LEU A 50 -10.635 -0.934 2.004 1.00 41.04 H new ATOM 0 HB3 LEU A 50 -9.648 0.457 1.605 1.00 41.04 H new ATOM 0 HG LEU A 50 -7.628 -1.039 1.725 1.00 3.13 H new ATOM 0 HD11 LEU A 50 -7.942 -3.455 1.471 1.00 62.05 H new ATOM 0 HD12 LEU A 50 -8.499 -2.855 3.051 1.00 62.05 H new ATOM 0 HD13 LEU A 50 -9.683 -3.251 1.783 1.00 62.05 H new ATOM 0 HD21 LEU A 50 -8.032 -2.047 -0.495 1.00 34.23 H new ATOM 0 HD22 LEU A 50 -9.772 -1.721 -0.309 1.00 34.23 H new ATOM 0 HD23 LEU A 50 -8.618 -0.369 -0.398 1.00 34.23 H new ATOM 730 N ARG A 51 -11.330 1.188 4.289 1.00 61.24 N ATOM 731 CA ARG A 51 -12.007 2.415 4.718 1.00 65.45 C ATOM 732 C ARG A 51 -11.479 2.914 6.068 1.00 43.34 C ATOM 733 O ARG A 51 -11.493 4.116 6.337 1.00 52.35 O ATOM 734 CB ARG A 51 -13.535 2.228 4.758 1.00 42.32 C ATOM 735 CG ARG A 51 -14.180 2.130 3.381 1.00 42.31 C ATOM 736 CD ARG A 51 -15.647 1.708 3.452 1.00 15.25 C ATOM 737 NE ARG A 51 -16.491 2.626 4.243 1.00 13.11 N ATOM 738 CZ ARG A 51 -17.741 3.009 3.908 1.00 60.23 C ATOM 739 NH1 ARG A 51 -18.198 2.823 2.670 1.00 1.42 N ATOM 740 NH2 ARG A 51 -18.489 3.647 4.798 1.00 13.25 N ATOM 0 H ARG A 51 -11.943 0.376 4.216 1.00 61.24 H new ATOM 0 HA ARG A 51 -11.782 3.181 3.976 1.00 65.45 H new ATOM 0 HB2 ARG A 51 -13.766 1.324 5.322 1.00 42.32 H new ATOM 0 HB3 ARG A 51 -13.980 3.064 5.298 1.00 42.32 H new ATOM 0 HG2 ARG A 51 -14.106 3.095 2.879 1.00 42.31 H new ATOM 0 HG3 ARG A 51 -13.628 1.412 2.775 1.00 42.31 H new ATOM 0 HD2 ARG A 51 -16.046 1.642 2.440 1.00 15.25 H new ATOM 0 HD3 ARG A 51 -15.708 0.709 3.884 1.00 15.25 H new ATOM 0 HE ARG A 51 -16.100 2.999 5.108 1.00 13.11 H new ATOM 0 HH11 ARG A 51 -17.602 2.388 1.966 1.00 1.42 H new ATOM 0 HH12 ARG A 51 -19.144 3.116 2.426 1.00 1.42 H new ATOM 0 HH21 ARG A 51 -18.119 3.845 5.728 1.00 13.25 H new ATOM 0 HH22 ARG A 51 -19.435 3.940 4.553 1.00 13.25 H new ATOM 754 N GLU A 52 -10.982 2.006 6.897 1.00 62.14 N ATOM 755 CA GLU A 52 -10.423 2.379 8.188 1.00 11.14 C ATOM 756 C GLU A 52 -8.923 2.626 8.099 1.00 13.22 C ATOM 757 O GLU A 52 -8.276 2.965 9.100 1.00 74.41 O ATOM 758 CB GLU A 52 -10.727 1.313 9.230 1.00 24.34 C ATOM 759 CG GLU A 52 -12.188 1.203 9.572 1.00 75.22 C ATOM 760 CD GLU A 52 -12.727 2.478 10.163 1.00 12.25 C ATOM 761 OE1 GLU A 52 -12.591 2.688 11.380 1.00 11.34 O ATOM 762 OE2 GLU A 52 -13.305 3.294 9.427 1.00 20.14 O ATOM 0 H GLU A 52 -10.955 1.006 6.698 1.00 62.14 H new ATOM 0 HA GLU A 52 -10.894 3.313 8.494 1.00 11.14 H new ATOM 0 HB2 GLU A 52 -10.375 0.349 8.864 1.00 24.34 H new ATOM 0 HB3 GLU A 52 -10.166 1.534 10.138 1.00 24.34 H new ATOM 0 HG2 GLU A 52 -12.753 0.953 8.674 1.00 75.22 H new ATOM 0 HG3 GLU A 52 -12.334 0.386 10.278 1.00 75.22 H new ATOM 769 N GLY A 53 -8.384 2.461 6.907 1.00 3.51 N ATOM 770 CA GLY A 53 -6.979 2.669 6.686 1.00 1.43 C ATOM 771 C GLY A 53 -6.130 1.590 7.312 1.00 52.11 C ATOM 772 O GLY A 53 -5.081 1.870 7.885 1.00 51.11 O ATOM 0 H GLY A 53 -8.907 2.182 6.077 1.00 3.51 H new ATOM 0 HA2 GLY A 53 -6.784 2.704 5.614 1.00 1.43 H new ATOM 0 HA3 GLY A 53 -6.690 3.637 7.094 1.00 1.43 H new ATOM 776 N HIS A 54 -6.612 0.362 7.246 1.00 73.21 N ATOM 777 CA HIS A 54 -5.845 -0.793 7.726 1.00 24.31 C ATOM 778 C HIS A 54 -5.111 -1.411 6.568 1.00 4.43 C ATOM 779 O HIS A 54 -4.183 -2.191 6.745 1.00 25.25 O ATOM 780 CB HIS A 54 -6.747 -1.861 8.383 1.00 14.34 C ATOM 781 CG HIS A 54 -7.329 -1.482 9.713 1.00 75.22 C ATOM 782 ND1 HIS A 54 -7.410 -2.339 10.795 1.00 73.32 N ATOM 783 CD2 HIS A 54 -7.895 -0.328 10.117 1.00 70.25 C ATOM 784 CE1 HIS A 54 -8.010 -1.689 11.793 1.00 10.33 C ATOM 785 NE2 HIS A 54 -8.326 -0.458 11.431 1.00 44.02 N ATOM 0 H HIS A 54 -7.530 0.130 6.866 1.00 73.21 H new ATOM 0 HA HIS A 54 -5.147 -0.437 8.484 1.00 24.31 H new ATOM 0 HB2 HIS A 54 -7.565 -2.092 7.700 1.00 14.34 H new ATOM 0 HB3 HIS A 54 -6.167 -2.776 8.507 1.00 14.34 H new ATOM 0 HD2 HIS A 54 -7.998 0.561 9.512 1.00 70.25 H new ATOM 0 HE1 HIS A 54 -8.211 -2.112 12.766 1.00 10.33 H new ATOM 0 HE2 HIS A 54 -8.790 0.250 11.999 1.00 44.02 H new ATOM 793 N LEU A 55 -5.528 -1.034 5.385 1.00 2.23 N ATOM 794 CA LEU A 55 -4.994 -1.551 4.169 1.00 73.02 C ATOM 795 C LEU A 55 -5.315 -0.497 3.114 1.00 74.13 C ATOM 796 O LEU A 55 -6.276 0.252 3.287 1.00 31.14 O ATOM 797 CB LEU A 55 -5.715 -2.877 3.861 1.00 44.12 C ATOM 798 CG LEU A 55 -4.905 -4.014 3.225 1.00 3.15 C ATOM 799 CD1 LEU A 55 -5.755 -5.260 3.089 1.00 45.20 C ATOM 800 CD2 LEU A 55 -4.333 -3.635 1.887 1.00 10.52 C ATOM 0 H LEU A 55 -6.265 -0.343 5.247 1.00 2.23 H new ATOM 0 HA LEU A 55 -3.923 -1.747 4.208 1.00 73.02 H new ATOM 0 HB2 LEU A 55 -6.137 -3.251 4.794 1.00 44.12 H new ATOM 0 HB3 LEU A 55 -6.552 -2.654 3.199 1.00 44.12 H new ATOM 0 HG LEU A 55 -4.067 -4.215 3.893 1.00 3.15 H new ATOM 0 HD11 LEU A 55 -5.164 -6.056 2.636 1.00 45.20 H new ATOM 0 HD12 LEU A 55 -6.096 -5.577 4.075 1.00 45.20 H new ATOM 0 HD13 LEU A 55 -6.618 -5.045 2.458 1.00 45.20 H new ATOM 0 HD21 LEU A 55 -3.769 -4.475 1.481 1.00 10.52 H new ATOM 0 HD22 LEU A 55 -5.143 -3.378 1.205 1.00 10.52 H new ATOM 0 HD23 LEU A 55 -3.671 -2.777 2.004 1.00 10.52 H new ATOM 812 N VAL A 56 -4.521 -0.418 2.071 1.00 13.21 N ATOM 813 CA VAL A 56 -4.715 0.564 1.006 1.00 31.43 C ATOM 814 C VAL A 56 -4.632 -0.115 -0.357 1.00 43.24 C ATOM 815 O VAL A 56 -4.088 -1.217 -0.472 1.00 33.20 O ATOM 816 CB VAL A 56 -3.710 1.766 1.076 1.00 44.15 C ATOM 817 CG1 VAL A 56 -3.982 2.644 2.294 1.00 2.43 C ATOM 818 CG2 VAL A 56 -2.268 1.278 1.096 1.00 14.22 C ATOM 0 H VAL A 56 -3.718 -1.030 1.928 1.00 13.21 H new ATOM 0 HA VAL A 56 -5.710 0.985 1.151 1.00 31.43 H new ATOM 0 HB VAL A 56 -3.860 2.365 0.178 1.00 44.15 H new ATOM 0 HG11 VAL A 56 -3.269 3.468 2.315 1.00 2.43 H new ATOM 0 HG12 VAL A 56 -4.995 3.042 2.237 1.00 2.43 H new ATOM 0 HG13 VAL A 56 -3.876 2.050 3.202 1.00 2.43 H new ATOM 0 HG21 VAL A 56 -1.595 2.134 1.145 1.00 14.22 H new ATOM 0 HG22 VAL A 56 -2.111 0.643 1.968 1.00 14.22 H new ATOM 0 HG23 VAL A 56 -2.064 0.707 0.190 1.00 14.22 H new ATOM 828 N ALA A 57 -5.144 0.541 -1.366 1.00 41.22 N ATOM 829 CA ALA A 57 -5.237 -0.011 -2.702 1.00 14.23 C ATOM 830 C ALA A 57 -4.916 1.058 -3.714 1.00 52.21 C ATOM 831 O ALA A 57 -4.913 2.233 -3.372 1.00 74.54 O ATOM 832 CB ALA A 57 -6.638 -0.543 -2.948 1.00 72.30 C ATOM 0 H ALA A 57 -5.515 1.488 -1.286 1.00 41.22 H new ATOM 0 HA ALA A 57 -4.524 -0.829 -2.800 1.00 14.23 H new ATOM 0 HB1 ALA A 57 -6.699 -0.956 -3.955 1.00 72.30 H new ATOM 0 HB2 ALA A 57 -6.864 -1.323 -2.221 1.00 72.30 H new ATOM 0 HB3 ALA A 57 -7.359 0.268 -2.845 1.00 72.30 H new ATOM 838 N VAL A 58 -4.626 0.657 -4.934 1.00 54.23 N ATOM 839 CA VAL A 58 -4.341 1.595 -6.009 1.00 12.31 C ATOM 840 C VAL A 58 -5.224 1.314 -7.204 1.00 31.33 C ATOM 841 O VAL A 58 -5.787 0.215 -7.327 1.00 24.02 O ATOM 842 CB VAL A 58 -2.855 1.598 -6.433 1.00 62.12 C ATOM 843 CG1 VAL A 58 -2.015 2.206 -5.336 1.00 23.21 C ATOM 844 CG2 VAL A 58 -2.369 0.184 -6.758 1.00 43.25 C ATOM 0 H VAL A 58 -4.580 -0.323 -5.212 1.00 54.23 H new ATOM 0 HA VAL A 58 -4.559 2.589 -5.618 1.00 12.31 H new ATOM 0 HB VAL A 58 -2.755 2.198 -7.337 1.00 62.12 H new ATOM 0 HG11 VAL A 58 -0.968 2.207 -5.638 1.00 23.21 H new ATOM 0 HG12 VAL A 58 -2.341 3.230 -5.153 1.00 23.21 H new ATOM 0 HG13 VAL A 58 -2.129 1.621 -4.424 1.00 23.21 H new ATOM 0 HG21 VAL A 58 -1.320 0.219 -7.053 1.00 43.25 H new ATOM 0 HG22 VAL A 58 -2.478 -0.449 -5.878 1.00 43.25 H new ATOM 0 HG23 VAL A 58 -2.962 -0.226 -7.575 1.00 43.25 H new ATOM 854 N ARG A 59 -5.363 2.289 -8.069 1.00 31.44 N ATOM 855 CA ARG A 59 -6.224 2.164 -9.215 1.00 22.15 C ATOM 856 C ARG A 59 -5.423 2.176 -10.512 1.00 11.35 C ATOM 857 O ARG A 59 -4.720 3.139 -10.826 1.00 23.12 O ATOM 858 CB ARG A 59 -7.280 3.267 -9.204 1.00 4.34 C ATOM 859 CG ARG A 59 -8.220 3.237 -10.391 1.00 4.04 C ATOM 860 CD ARG A 59 -9.270 4.313 -10.276 1.00 22.11 C ATOM 861 NE ARG A 59 -10.144 4.353 -11.451 1.00 0.24 N ATOM 862 CZ ARG A 59 -11.472 4.518 -11.416 1.00 42.42 C ATOM 863 NH1 ARG A 59 -12.114 4.574 -10.251 1.00 51.31 N ATOM 864 NH2 ARG A 59 -12.152 4.620 -12.549 1.00 70.13 N ATOM 0 H ARG A 59 -4.884 3.187 -7.997 1.00 31.44 H new ATOM 0 HA ARG A 59 -6.733 1.202 -9.160 1.00 22.15 H new ATOM 0 HB2 ARG A 59 -7.866 3.185 -8.288 1.00 4.34 H new ATOM 0 HB3 ARG A 59 -6.779 4.234 -9.176 1.00 4.34 H new ATOM 0 HG2 ARG A 59 -7.653 3.374 -11.312 1.00 4.04 H new ATOM 0 HG3 ARG A 59 -8.700 2.261 -10.455 1.00 4.04 H new ATOM 0 HD2 ARG A 59 -9.870 4.140 -9.383 1.00 22.11 H new ATOM 0 HD3 ARG A 59 -8.785 5.281 -10.151 1.00 22.11 H new ATOM 0 HE ARG A 59 -9.707 4.247 -12.366 1.00 0.24 H new ATOM 0 HH11 ARG A 59 -11.594 4.491 -9.378 1.00 51.31 H new ATOM 0 HH12 ARG A 59 -13.126 4.700 -10.232 1.00 51.31 H new ATOM 0 HH21 ARG A 59 -11.663 4.573 -13.443 1.00 70.13 H new ATOM 0 HH22 ARG A 59 -13.164 4.746 -12.527 1.00 70.13 H new ATOM 878 N ARG A 60 -5.561 1.114 -11.252 1.00 53.15 N ATOM 879 CA ARG A 60 -4.874 0.903 -12.506 1.00 2.31 C ATOM 880 C ARG A 60 -5.807 0.203 -13.464 1.00 21.41 C ATOM 881 O ARG A 60 -6.537 -0.700 -13.058 1.00 4.31 O ATOM 882 CB ARG A 60 -3.590 0.089 -12.280 1.00 32.31 C ATOM 883 CG ARG A 60 -3.777 -1.080 -11.325 1.00 14.42 C ATOM 884 CD ARG A 60 -2.477 -1.796 -11.031 1.00 51.21 C ATOM 885 NE ARG A 60 -2.044 -2.668 -12.112 1.00 12.34 N ATOM 886 CZ ARG A 60 -0.823 -3.191 -12.217 1.00 65.13 C ATOM 887 NH1 ARG A 60 0.202 -2.661 -11.538 1.00 53.43 N ATOM 888 NH2 ARG A 60 -0.625 -4.206 -13.047 1.00 24.41 N ATOM 0 H ARG A 60 -6.175 0.341 -10.995 1.00 53.15 H new ATOM 0 HA ARG A 60 -4.582 1.861 -12.936 1.00 2.31 H new ATOM 0 HB2 ARG A 60 -3.234 -0.288 -13.239 1.00 32.31 H new ATOM 0 HB3 ARG A 60 -2.815 0.748 -11.889 1.00 32.31 H new ATOM 0 HG2 ARG A 60 -4.209 -0.718 -10.392 1.00 14.42 H new ATOM 0 HG3 ARG A 60 -4.489 -1.786 -11.753 1.00 14.42 H new ATOM 0 HD2 ARG A 60 -1.700 -1.058 -10.835 1.00 51.21 H new ATOM 0 HD3 ARG A 60 -2.592 -2.386 -10.122 1.00 51.21 H new ATOM 0 HE ARG A 60 -2.722 -2.895 -12.840 1.00 12.34 H new ATOM 0 HH11 ARG A 60 0.051 -1.852 -10.936 1.00 53.43 H new ATOM 0 HH12 ARG A 60 1.134 -3.066 -11.623 1.00 53.43 H new ATOM 0 HH21 ARG A 60 -1.402 -4.576 -13.595 1.00 24.41 H new ATOM 0 HH22 ARG A 60 0.304 -4.617 -13.138 1.00 24.41 H new ATOM 902 N ALA A 61 -5.843 0.686 -14.708 1.00 21.35 N ATOM 903 CA ALA A 61 -6.698 0.139 -15.779 1.00 44.34 C ATOM 904 C ALA A 61 -8.186 0.255 -15.422 1.00 22.43 C ATOM 905 O ALA A 61 -9.029 -0.470 -15.949 1.00 24.41 O ATOM 906 CB ALA A 61 -6.318 -1.310 -16.090 1.00 21.33 C ATOM 0 H ALA A 61 -5.275 1.477 -15.010 1.00 21.35 H new ATOM 0 HA ALA A 61 -6.529 0.734 -16.676 1.00 44.34 H new ATOM 0 HB1 ALA A 61 -6.961 -1.693 -16.882 1.00 21.33 H new ATOM 0 HB2 ALA A 61 -5.278 -1.352 -16.415 1.00 21.33 H new ATOM 0 HB3 ALA A 61 -6.443 -1.919 -15.195 1.00 21.33 H new ATOM 912 N GLY A 62 -8.501 1.194 -14.546 1.00 24.40 N ATOM 913 CA GLY A 62 -9.867 1.385 -14.113 1.00 63.20 C ATOM 914 C GLY A 62 -10.264 0.410 -13.025 1.00 43.51 C ATOM 915 O GLY A 62 -11.430 0.359 -12.615 1.00 42.05 O ATOM 0 H GLY A 62 -7.828 1.833 -14.124 1.00 24.40 H new ATOM 0 HA2 GLY A 62 -9.991 2.404 -13.748 1.00 63.20 H new ATOM 0 HA3 GLY A 62 -10.536 1.268 -14.965 1.00 63.20 H new ATOM 919 N GLY A 63 -9.312 -0.361 -12.563 1.00 41.01 N ATOM 920 CA GLY A 63 -9.566 -1.317 -11.533 1.00 3.33 C ATOM 921 C GLY A 63 -8.835 -0.969 -10.274 1.00 22.42 C ATOM 922 O GLY A 63 -7.721 -0.437 -10.314 1.00 65.35 O ATOM 0 H GLY A 63 -8.347 -0.339 -12.893 1.00 41.01 H new ATOM 0 HA2 GLY A 63 -10.637 -1.363 -11.333 1.00 3.33 H new ATOM 0 HA3 GLY A 63 -9.262 -2.308 -11.871 1.00 3.33 H new ATOM 926 N VAL A 64 -9.457 -1.224 -9.168 1.00 72.40 N ATOM 927 CA VAL A 64 -8.853 -1.002 -7.888 1.00 62.12 C ATOM 928 C VAL A 64 -8.289 -2.319 -7.405 1.00 11.20 C ATOM 929 O VAL A 64 -9.017 -3.310 -7.280 1.00 42.32 O ATOM 930 CB VAL A 64 -9.888 -0.447 -6.867 1.00 55.14 C ATOM 931 CG1 VAL A 64 -9.285 -0.320 -5.477 1.00 63.45 C ATOM 932 CG2 VAL A 64 -10.415 0.904 -7.331 1.00 32.01 C ATOM 0 H VAL A 64 -10.406 -1.595 -9.124 1.00 72.40 H new ATOM 0 HA VAL A 64 -8.061 -0.259 -7.979 1.00 62.12 H new ATOM 0 HB VAL A 64 -10.714 -1.156 -6.813 1.00 55.14 H new ATOM 0 HG11 VAL A 64 -10.035 0.070 -4.789 1.00 63.45 H new ATOM 0 HG12 VAL A 64 -8.953 -1.300 -5.134 1.00 63.45 H new ATOM 0 HG13 VAL A 64 -8.434 0.360 -5.510 1.00 63.45 H new ATOM 0 HG21 VAL A 64 -11.138 1.281 -6.607 1.00 32.01 H new ATOM 0 HG22 VAL A 64 -9.587 1.608 -7.416 1.00 32.01 H new ATOM 0 HG23 VAL A 64 -10.898 0.792 -8.302 1.00 32.01 H new ATOM 942 N VAL A 65 -7.007 -2.341 -7.177 1.00 15.13 N ATOM 943 CA VAL A 65 -6.310 -3.538 -6.767 1.00 42.52 C ATOM 944 C VAL A 65 -5.365 -3.243 -5.630 1.00 42.35 C ATOM 945 O VAL A 65 -4.957 -2.096 -5.418 1.00 24.54 O ATOM 946 CB VAL A 65 -5.521 -4.194 -7.936 1.00 42.33 C ATOM 947 CG1 VAL A 65 -6.463 -4.803 -8.968 1.00 63.12 C ATOM 948 CG2 VAL A 65 -4.619 -3.184 -8.601 1.00 2.42 C ATOM 0 H VAL A 65 -6.405 -1.523 -7.270 1.00 15.13 H new ATOM 0 HA VAL A 65 -7.073 -4.243 -6.438 1.00 42.52 H new ATOM 0 HB VAL A 65 -4.912 -4.993 -7.513 1.00 42.33 H new ATOM 0 HG11 VAL A 65 -5.880 -5.253 -9.772 1.00 63.12 H new ATOM 0 HG12 VAL A 65 -7.078 -5.568 -8.493 1.00 63.12 H new ATOM 0 HG13 VAL A 65 -7.106 -4.024 -9.378 1.00 63.12 H new ATOM 0 HG21 VAL A 65 -4.076 -3.662 -9.416 1.00 2.42 H new ATOM 0 HG22 VAL A 65 -5.219 -2.365 -8.997 1.00 2.42 H new ATOM 0 HG23 VAL A 65 -3.909 -2.794 -7.871 1.00 2.42 H new ATOM 958 N ILE A 66 -5.029 -4.261 -4.915 1.00 30.33 N ATOM 959 CA ILE A 66 -4.156 -4.169 -3.785 1.00 73.24 C ATOM 960 C ILE A 66 -2.889 -4.944 -4.103 1.00 64.10 C ATOM 961 O ILE A 66 -2.971 -6.046 -4.624 1.00 43.03 O ATOM 962 CB ILE A 66 -4.818 -4.805 -2.530 1.00 64.21 C ATOM 963 CG1 ILE A 66 -6.141 -4.098 -2.195 1.00 45.32 C ATOM 964 CG2 ILE A 66 -3.867 -4.762 -1.344 1.00 63.22 C ATOM 965 CD1 ILE A 66 -6.894 -4.697 -1.022 1.00 54.43 C ATOM 0 H ILE A 66 -5.360 -5.208 -5.101 1.00 30.33 H new ATOM 0 HA ILE A 66 -3.941 -3.120 -3.580 1.00 73.24 H new ATOM 0 HB ILE A 66 -5.039 -5.849 -2.752 1.00 64.21 H new ATOM 0 HG12 ILE A 66 -5.934 -3.050 -1.981 1.00 45.32 H new ATOM 0 HG13 ILE A 66 -6.784 -4.123 -3.074 1.00 45.32 H new ATOM 0 HG21 ILE A 66 -4.348 -5.212 -0.475 1.00 63.22 H new ATOM 0 HG22 ILE A 66 -2.960 -5.317 -1.584 1.00 63.22 H new ATOM 0 HG23 ILE A 66 -3.610 -3.726 -1.121 1.00 63.22 H new ATOM 0 HD11 ILE A 66 -7.814 -4.137 -0.856 1.00 54.43 H new ATOM 0 HD12 ILE A 66 -7.137 -5.737 -1.238 1.00 54.43 H new ATOM 0 HD13 ILE A 66 -6.273 -4.648 -0.128 1.00 54.43 H new ATOM 977 N PRO A 67 -1.709 -4.376 -3.869 1.00 65.43 N ATOM 978 CA PRO A 67 -0.457 -5.108 -4.026 1.00 53.35 C ATOM 979 C PRO A 67 -0.436 -6.339 -3.109 1.00 65.54 C ATOM 980 O PRO A 67 -0.632 -6.222 -1.901 1.00 41.10 O ATOM 981 CB PRO A 67 0.602 -4.100 -3.580 1.00 51.23 C ATOM 982 CG PRO A 67 -0.033 -2.775 -3.792 1.00 71.22 C ATOM 983 CD PRO A 67 -1.484 -2.973 -3.476 1.00 5.04 C ATOM 0 HA PRO A 67 -0.302 -5.474 -5.041 1.00 53.35 H new ATOM 0 HB2 PRO A 67 0.874 -4.247 -2.535 1.00 51.23 H new ATOM 0 HB3 PRO A 67 1.516 -4.200 -4.165 1.00 51.23 H new ATOM 0 HG2 PRO A 67 0.410 -2.019 -3.144 1.00 71.22 H new ATOM 0 HG3 PRO A 67 0.102 -2.434 -4.818 1.00 71.22 H new ATOM 0 HD2 PRO A 67 -1.695 -2.809 -2.419 1.00 5.04 H new ATOM 0 HD3 PRO A 67 -2.119 -2.288 -4.038 1.00 5.04 H new ATOM 991 N GLN A 68 -0.186 -7.504 -3.688 1.00 25.52 N ATOM 992 CA GLN A 68 -0.178 -8.773 -2.966 1.00 13.32 C ATOM 993 C GLN A 68 0.871 -8.806 -1.854 1.00 30.02 C ATOM 994 O GLN A 68 0.717 -9.501 -0.865 1.00 63.21 O ATOM 995 CB GLN A 68 0.010 -9.889 -3.974 1.00 34.20 C ATOM 996 CG GLN A 68 0.224 -11.275 -3.418 1.00 23.32 C ATOM 997 CD GLN A 68 0.084 -12.338 -4.481 1.00 72.33 C ATOM 998 OE1 GLN A 68 -0.800 -12.120 -5.433 1.00 54.12 O flip ATOM 999 NE2 GLN A 68 0.741 -13.365 -4.429 1.00 3.11 N flip ATOM 0 H GLN A 68 0.019 -7.599 -4.683 1.00 25.52 H new ATOM 0 HA GLN A 68 -1.131 -8.905 -2.454 1.00 13.32 H new ATOM 0 HB2 GLN A 68 -0.866 -9.914 -4.622 1.00 34.20 H new ATOM 0 HB3 GLN A 68 0.864 -9.639 -4.603 1.00 34.20 H new ATOM 0 HG2 GLN A 68 1.216 -11.337 -2.971 1.00 23.32 H new ATOM 0 HG3 GLN A 68 -0.496 -11.461 -2.622 1.00 23.32 H new ATOM 0 HE21 GLN A 68 1.417 -13.500 -3.677 1.00 3.11 H new ATOM 0 HE22 GLN A 68 0.614 -14.088 -5.137 1.00 3.11 H new ATOM 1008 N VAL A 69 1.896 -8.005 -2.016 1.00 23.40 N ATOM 1009 CA VAL A 69 2.986 -7.900 -1.047 1.00 51.24 C ATOM 1010 C VAL A 69 2.545 -7.213 0.280 1.00 63.42 C ATOM 1011 O VAL A 69 3.330 -7.076 1.205 1.00 30.11 O ATOM 1012 CB VAL A 69 4.186 -7.148 -1.657 1.00 13.01 C ATOM 1013 CG1 VAL A 69 4.766 -7.926 -2.834 1.00 71.14 C ATOM 1014 CG2 VAL A 69 3.768 -5.752 -2.099 1.00 43.20 C ATOM 0 H VAL A 69 2.008 -7.398 -2.828 1.00 23.40 H new ATOM 0 HA VAL A 69 3.284 -8.919 -0.801 1.00 51.24 H new ATOM 0 HB VAL A 69 4.958 -7.055 -0.893 1.00 13.01 H new ATOM 0 HG11 VAL A 69 5.612 -7.379 -3.251 1.00 71.14 H new ATOM 0 HG12 VAL A 69 5.100 -8.906 -2.493 1.00 71.14 H new ATOM 0 HG13 VAL A 69 4.001 -8.050 -3.601 1.00 71.14 H new ATOM 0 HG21 VAL A 69 4.626 -5.234 -2.527 1.00 43.20 H new ATOM 0 HG22 VAL A 69 2.979 -5.828 -2.847 1.00 43.20 H new ATOM 0 HG23 VAL A 69 3.399 -5.193 -1.239 1.00 43.20 H new ATOM 1024 N PHE A 70 1.288 -6.771 0.337 1.00 4.14 N ATOM 1025 CA PHE A 70 0.709 -6.205 1.559 1.00 31.21 C ATOM 1026 C PHE A 70 0.140 -7.321 2.434 1.00 20.31 C ATOM 1027 O PHE A 70 -0.356 -7.093 3.552 1.00 72.43 O ATOM 1028 CB PHE A 70 -0.387 -5.169 1.224 1.00 40.40 C ATOM 1029 CG PHE A 70 0.133 -3.775 0.952 1.00 52.20 C ATOM 1030 CD1 PHE A 70 1.112 -3.537 0.005 1.00 11.35 C ATOM 1031 CD2 PHE A 70 -0.366 -2.701 1.668 1.00 3.23 C ATOM 1032 CE1 PHE A 70 1.582 -2.257 -0.215 1.00 30.12 C ATOM 1033 CE2 PHE A 70 0.096 -1.426 1.457 1.00 52.35 C ATOM 1034 CZ PHE A 70 1.073 -1.199 0.519 1.00 10.51 C ATOM 0 H PHE A 70 0.646 -6.794 -0.455 1.00 4.14 H new ATOM 0 HA PHE A 70 1.499 -5.692 2.108 1.00 31.21 H new ATOM 0 HB2 PHE A 70 -0.941 -5.514 0.351 1.00 40.40 H new ATOM 0 HB3 PHE A 70 -1.094 -5.125 2.053 1.00 40.40 H new ATOM 0 HD1 PHE A 70 1.513 -4.360 -0.568 1.00 11.35 H new ATOM 0 HD2 PHE A 70 -1.135 -2.870 2.408 1.00 3.23 H new ATOM 0 HE1 PHE A 70 2.345 -2.082 -0.958 1.00 30.12 H new ATOM 0 HE2 PHE A 70 -0.308 -0.603 2.028 1.00 52.35 H new ATOM 0 HZ PHE A 70 1.443 -0.198 0.354 1.00 10.51 H new ATOM 1044 N PHE A 71 0.222 -8.521 1.925 1.00 44.24 N ATOM 1045 CA PHE A 71 -0.267 -9.684 2.604 1.00 43.04 C ATOM 1046 C PHE A 71 0.876 -10.637 2.834 1.00 52.43 C ATOM 1047 O PHE A 71 1.935 -10.511 2.223 1.00 4.03 O ATOM 1048 CB PHE A 71 -1.346 -10.395 1.774 1.00 25.24 C ATOM 1049 CG PHE A 71 -2.567 -9.575 1.489 1.00 55.41 C ATOM 1050 CD1 PHE A 71 -2.611 -8.736 0.392 1.00 40.54 C ATOM 1051 CD2 PHE A 71 -3.680 -9.659 2.306 1.00 62.32 C ATOM 1052 CE1 PHE A 71 -3.733 -7.996 0.114 1.00 52.00 C ATOM 1053 CE2 PHE A 71 -4.809 -8.916 2.036 1.00 70.30 C ATOM 1054 CZ PHE A 71 -4.835 -8.083 0.935 1.00 64.21 C ATOM 0 H PHE A 71 0.637 -8.718 1.014 1.00 44.24 H new ATOM 0 HA PHE A 71 -0.705 -9.371 3.552 1.00 43.04 H new ATOM 0 HB2 PHE A 71 -0.907 -10.708 0.826 1.00 25.24 H new ATOM 0 HB3 PHE A 71 -1.649 -11.301 2.299 1.00 25.24 H new ATOM 0 HD1 PHE A 71 -1.750 -8.661 -0.256 1.00 40.54 H new ATOM 0 HD2 PHE A 71 -3.664 -10.314 3.165 1.00 62.32 H new ATOM 0 HE1 PHE A 71 -3.752 -7.346 -0.748 1.00 52.00 H new ATOM 0 HE2 PHE A 71 -5.671 -8.985 2.683 1.00 70.30 H new ATOM 0 HZ PHE A 71 -5.718 -7.501 0.718 1.00 64.21 H new ATOM 1064 N THR A 72 0.668 -11.566 3.703 1.00 65.15 N ATOM 1065 CA THR A 72 1.647 -12.567 3.979 1.00 4.40 C ATOM 1066 C THR A 72 1.343 -13.790 3.128 1.00 23.42 C ATOM 1067 O THR A 72 0.206 -13.957 2.657 1.00 62.12 O ATOM 1068 CB THR A 72 1.612 -12.968 5.475 1.00 44.45 C ATOM 1069 OG1 THR A 72 0.289 -13.418 5.819 1.00 4.15 O ATOM 1070 CG2 THR A 72 1.984 -11.795 6.372 1.00 12.23 C ATOM 0 H THR A 72 -0.190 -11.655 4.247 1.00 65.15 H new ATOM 0 HA THR A 72 2.637 -12.173 3.747 1.00 4.40 H new ATOM 0 HB THR A 72 2.339 -13.766 5.628 1.00 44.45 H new ATOM 0 HG1 THR A 72 -0.335 -12.664 5.775 1.00 4.15 H new ATOM 0 HG21 THR A 72 1.950 -12.109 7.415 1.00 12.23 H new ATOM 0 HG22 THR A 72 2.991 -11.455 6.128 1.00 12.23 H new ATOM 0 HG23 THR A 72 1.278 -10.979 6.216 1.00 12.23 H new ATOM 1078 N ASN A 73 2.318 -14.667 2.971 1.00 71.10 N ATOM 1079 CA ASN A 73 2.129 -15.925 2.219 1.00 22.44 C ATOM 1080 C ASN A 73 1.122 -16.834 2.937 1.00 72.32 C ATOM 1081 O ASN A 73 0.586 -17.774 2.359 1.00 73.23 O ATOM 1082 CB ASN A 73 3.456 -16.697 2.010 1.00 44.25 C ATOM 1083 CG ASN A 73 4.091 -17.214 3.304 1.00 43.50 C ATOM 1084 OD1 ASN A 73 4.010 -16.581 4.363 1.00 24.30 O ATOM 1085 ND2 ASN A 73 4.682 -18.373 3.238 1.00 51.44 N ATOM 0 H ASN A 73 3.257 -14.544 3.350 1.00 71.10 H new ATOM 0 HA ASN A 73 1.746 -15.646 1.237 1.00 22.44 H new ATOM 0 HB2 ASN A 73 3.271 -17.542 1.346 1.00 44.25 H new ATOM 0 HB3 ASN A 73 4.168 -16.044 1.505 1.00 44.25 H new ATOM 0 HD21 ASN A 73 5.095 -18.783 4.076 1.00 51.44 H new ATOM 0 HD22 ASN A 73 4.732 -18.870 2.349 1.00 51.44 H new ATOM 1092 N SER A 74 0.876 -16.532 4.196 1.00 5.03 N ATOM 1093 CA SER A 74 -0.032 -17.276 5.024 1.00 15.01 C ATOM 1094 C SER A 74 -1.491 -16.869 4.727 1.00 31.43 C ATOM 1095 O SER A 74 -2.431 -17.488 5.218 1.00 14.43 O ATOM 1096 CB SER A 74 0.313 -16.974 6.476 1.00 2.44 C ATOM 1097 OG SER A 74 1.723 -17.064 6.671 1.00 44.33 O ATOM 0 H SER A 74 1.314 -15.745 4.675 1.00 5.03 H new ATOM 0 HA SER A 74 0.062 -18.343 4.823 1.00 15.01 H new ATOM 0 HB2 SER A 74 -0.036 -15.976 6.741 1.00 2.44 H new ATOM 0 HB3 SER A 74 -0.199 -17.676 7.134 1.00 2.44 H new ATOM 0 HG SER A 74 1.937 -16.867 7.607 1.00 44.33 H new ATOM 1103 N GLY A 75 -1.666 -15.820 3.922 1.00 41.45 N ATOM 1104 CA GLY A 75 -2.997 -15.374 3.561 1.00 60.45 C ATOM 1105 C GLY A 75 -3.552 -14.374 4.548 1.00 25.10 C ATOM 1106 O GLY A 75 -4.743 -14.068 4.537 1.00 1.14 O ATOM 0 H GLY A 75 -0.907 -15.273 3.515 1.00 41.45 H new ATOM 0 HA2 GLY A 75 -2.971 -14.925 2.568 1.00 60.45 H new ATOM 0 HA3 GLY A 75 -3.664 -16.234 3.505 1.00 60.45 H new ATOM 1110 N GLN A 76 -2.690 -13.870 5.403 1.00 33.22 N ATOM 1111 CA GLN A 76 -3.090 -12.912 6.414 1.00 30.32 C ATOM 1112 C GLN A 76 -2.543 -11.550 6.060 1.00 2.24 C ATOM 1113 O GLN A 76 -1.524 -11.452 5.367 1.00 62.31 O ATOM 1114 CB GLN A 76 -2.533 -13.297 7.793 1.00 3.42 C ATOM 1115 CG GLN A 76 -2.925 -14.673 8.297 1.00 74.12 C ATOM 1116 CD GLN A 76 -2.422 -14.919 9.706 1.00 73.30 C ATOM 1117 OE1 GLN A 76 -1.310 -15.413 9.919 1.00 24.23 O ATOM 1118 NE2 GLN A 76 -3.223 -14.579 10.676 1.00 64.24 N ATOM 0 H GLN A 76 -1.699 -14.109 5.419 1.00 33.22 H new ATOM 0 HA GLN A 76 -4.179 -12.902 6.452 1.00 30.32 H new ATOM 0 HB2 GLN A 76 -1.445 -13.240 7.754 1.00 3.42 H new ATOM 0 HB3 GLN A 76 -2.865 -12.555 8.519 1.00 3.42 H new ATOM 0 HG2 GLN A 76 -4.010 -14.773 8.276 1.00 74.12 H new ATOM 0 HG3 GLN A 76 -2.522 -15.434 7.629 1.00 74.12 H new ATOM 0 HE21 GLN A 76 -4.135 -14.173 10.466 1.00 64.24 H new ATOM 0 HE22 GLN A 76 -2.938 -14.718 11.645 1.00 64.24 H new ATOM 1127 N VAL A 77 -3.195 -10.518 6.519 1.00 73.34 N ATOM 1128 CA VAL A 77 -2.682 -9.172 6.378 1.00 72.02 C ATOM 1129 C VAL A 77 -1.488 -9.027 7.318 1.00 33.14 C ATOM 1130 O VAL A 77 -1.496 -9.598 8.416 1.00 61.34 O ATOM 1131 CB VAL A 77 -3.792 -8.117 6.721 1.00 71.12 C ATOM 1132 CG1 VAL A 77 -3.222 -6.720 6.905 1.00 43.23 C ATOM 1133 CG2 VAL A 77 -4.815 -8.075 5.614 1.00 32.13 C ATOM 0 H VAL A 77 -4.093 -10.579 7.000 1.00 73.34 H new ATOM 0 HA VAL A 77 -2.373 -8.992 5.348 1.00 72.02 H new ATOM 0 HB VAL A 77 -4.248 -8.427 7.661 1.00 71.12 H new ATOM 0 HG11 VAL A 77 -4.029 -6.026 7.141 1.00 43.23 H new ATOM 0 HG12 VAL A 77 -2.499 -6.727 7.721 1.00 43.23 H new ATOM 0 HG13 VAL A 77 -2.729 -6.404 5.986 1.00 43.23 H new ATOM 0 HG21 VAL A 77 -5.584 -7.341 5.857 1.00 32.13 H new ATOM 0 HG22 VAL A 77 -4.329 -7.796 4.679 1.00 32.13 H new ATOM 0 HG23 VAL A 77 -5.273 -9.058 5.505 1.00 32.13 H new ATOM 1143 N VAL A 78 -0.450 -8.345 6.879 1.00 23.43 N ATOM 1144 CA VAL A 78 0.702 -8.112 7.729 1.00 4.44 C ATOM 1145 C VAL A 78 0.250 -7.253 8.909 1.00 61.11 C ATOM 1146 O VAL A 78 -0.393 -6.238 8.716 1.00 42.05 O ATOM 1147 CB VAL A 78 1.838 -7.380 6.959 1.00 24.45 C ATOM 1148 CG1 VAL A 78 3.079 -7.219 7.822 1.00 21.52 C ATOM 1149 CG2 VAL A 78 2.179 -8.100 5.663 1.00 63.32 C ATOM 0 H VAL A 78 -0.379 -7.944 5.944 1.00 23.43 H new ATOM 0 HA VAL A 78 1.097 -9.070 8.068 1.00 4.44 H new ATOM 0 HB VAL A 78 1.470 -6.385 6.709 1.00 24.45 H new ATOM 0 HG11 VAL A 78 3.853 -6.704 7.253 1.00 21.52 H new ATOM 0 HG12 VAL A 78 2.832 -6.636 8.709 1.00 21.52 H new ATOM 0 HG13 VAL A 78 3.443 -8.201 8.123 1.00 21.52 H new ATOM 0 HG21 VAL A 78 2.976 -7.564 5.148 1.00 63.32 H new ATOM 0 HG22 VAL A 78 2.509 -9.114 5.886 1.00 63.32 H new ATOM 0 HG23 VAL A 78 1.296 -8.138 5.025 1.00 63.32 H new ATOM 1159 N LYS A 79 0.563 -7.671 10.118 1.00 0.20 N ATOM 1160 CA LYS A 79 0.130 -6.930 11.309 1.00 43.35 C ATOM 1161 C LYS A 79 0.741 -5.533 11.371 1.00 61.40 C ATOM 1162 O LYS A 79 0.134 -4.604 11.889 1.00 63.53 O ATOM 1163 CB LYS A 79 0.428 -7.694 12.587 1.00 64.54 C ATOM 1164 CG LYS A 79 1.863 -8.084 12.709 1.00 34.13 C ATOM 1165 CD LYS A 79 2.192 -8.603 14.088 1.00 43.11 C ATOM 1166 CE LYS A 79 3.618 -9.113 14.161 1.00 41.42 C ATOM 1167 NZ LYS A 79 3.792 -10.366 13.400 1.00 71.22 N ATOM 0 H LYS A 79 1.110 -8.510 10.313 1.00 0.20 H new ATOM 0 HA LYS A 79 -0.951 -6.818 11.223 1.00 43.35 H new ATOM 0 HB2 LYS A 79 0.149 -7.081 13.444 1.00 64.54 H new ATOM 0 HB3 LYS A 79 -0.191 -8.590 12.621 1.00 64.54 H new ATOM 0 HG2 LYS A 79 2.095 -8.849 11.969 1.00 34.13 H new ATOM 0 HG3 LYS A 79 2.493 -7.223 12.486 1.00 34.13 H new ATOM 0 HD2 LYS A 79 2.050 -7.809 14.821 1.00 43.11 H new ATOM 0 HD3 LYS A 79 1.503 -9.406 14.350 1.00 43.11 H new ATOM 0 HE2 LYS A 79 4.296 -8.354 13.771 1.00 41.42 H new ATOM 0 HE3 LYS A 79 3.892 -9.280 15.203 1.00 41.42 H new ATOM 0 HZ1 LYS A 79 4.712 -10.790 13.635 1.00 71.22 H new ATOM 0 HZ2 LYS A 79 3.031 -11.031 13.647 1.00 71.22 H new ATOM 0 HZ3 LYS A 79 3.756 -10.161 12.381 1.00 71.22 H new ATOM 1181 N SER A 80 1.909 -5.394 10.801 1.00 62.12 N ATOM 1182 CA SER A 80 2.629 -4.148 10.782 1.00 15.33 C ATOM 1183 C SER A 80 2.043 -3.187 9.715 1.00 33.53 C ATOM 1184 O SER A 80 2.426 -2.012 9.643 1.00 72.32 O ATOM 1185 CB SER A 80 4.081 -4.474 10.449 1.00 2.23 C ATOM 1186 OG SER A 80 4.525 -5.617 11.194 1.00 75.30 O ATOM 0 H SER A 80 2.395 -6.156 10.329 1.00 62.12 H new ATOM 0 HA SER A 80 2.549 -3.650 11.748 1.00 15.33 H new ATOM 0 HB2 SER A 80 4.180 -4.668 9.381 1.00 2.23 H new ATOM 0 HB3 SER A 80 4.714 -3.616 10.677 1.00 2.23 H new ATOM 0 HG SER A 80 5.458 -5.813 10.967 1.00 75.30 H new ATOM 1192 N LEU A 81 1.095 -3.691 8.918 1.00 5.01 N ATOM 1193 CA LEU A 81 0.532 -2.941 7.801 1.00 73.15 C ATOM 1194 C LEU A 81 -0.249 -1.686 8.281 1.00 31.45 C ATOM 1195 O LEU A 81 0.099 -0.567 7.884 1.00 42.31 O ATOM 1196 CB LEU A 81 -0.366 -3.833 6.944 1.00 44.13 C ATOM 1197 CG LEU A 81 -0.586 -3.387 5.524 1.00 33.31 C ATOM 1198 CD1 LEU A 81 0.654 -3.685 4.717 1.00 51.33 C ATOM 1199 CD2 LEU A 81 -1.780 -4.089 4.936 1.00 45.11 C ATOM 0 H LEU A 81 0.701 -4.625 9.032 1.00 5.01 H new ATOM 0 HA LEU A 81 1.367 -2.597 7.191 1.00 73.15 H new ATOM 0 HB2 LEU A 81 0.064 -4.835 6.926 1.00 44.13 H new ATOM 0 HB3 LEU A 81 -1.337 -3.912 7.433 1.00 44.13 H new ATOM 0 HG LEU A 81 -0.781 -2.315 5.504 1.00 33.31 H new ATOM 0 HD11 LEU A 81 0.503 -3.365 3.686 1.00 51.33 H new ATOM 0 HD12 LEU A 81 1.503 -3.149 5.143 1.00 51.33 H new ATOM 0 HD13 LEU A 81 0.853 -4.756 4.739 1.00 51.33 H new ATOM 0 HD21 LEU A 81 -1.928 -3.757 3.908 1.00 45.11 H new ATOM 0 HD22 LEU A 81 -1.612 -5.166 4.949 1.00 45.11 H new ATOM 0 HD23 LEU A 81 -2.667 -3.853 5.524 1.00 45.11 H new ATOM 1211 N PRO A 82 -1.302 -1.817 9.167 1.00 52.41 N ATOM 1212 CA PRO A 82 -2.028 -0.648 9.657 1.00 1.42 C ATOM 1213 C PRO A 82 -1.111 0.281 10.448 1.00 71.23 C ATOM 1214 O PRO A 82 -1.299 1.494 10.451 1.00 11.13 O ATOM 1215 CB PRO A 82 -3.121 -1.232 10.572 1.00 61.30 C ATOM 1216 CG PRO A 82 -2.656 -2.605 10.903 1.00 55.40 C ATOM 1217 CD PRO A 82 -1.887 -3.075 9.712 1.00 32.15 C ATOM 0 HA PRO A 82 -2.435 -0.049 8.842 1.00 1.42 H new ATOM 0 HB2 PRO A 82 -3.245 -0.630 11.472 1.00 61.30 H new ATOM 0 HB3 PRO A 82 -4.087 -1.254 10.068 1.00 61.30 H new ATOM 0 HG2 PRO A 82 -2.030 -2.601 11.795 1.00 55.40 H new ATOM 0 HG3 PRO A 82 -3.499 -3.264 11.108 1.00 55.40 H new ATOM 0 HD2 PRO A 82 -1.114 -3.792 9.989 1.00 32.15 H new ATOM 0 HD3 PRO A 82 -2.532 -3.567 8.985 1.00 32.15 H new ATOM 1225 N GLY A 83 -0.090 -0.301 11.072 1.00 24.13 N ATOM 1226 CA GLY A 83 0.856 0.450 11.872 1.00 65.24 C ATOM 1227 C GLY A 83 1.666 1.417 11.053 1.00 41.12 C ATOM 1228 O GLY A 83 1.834 2.587 11.445 1.00 52.55 O ATOM 0 H GLY A 83 0.099 -1.303 11.034 1.00 24.13 H new ATOM 0 HA2 GLY A 83 0.318 0.997 12.646 1.00 65.24 H new ATOM 0 HA3 GLY A 83 1.528 -0.243 12.379 1.00 65.24 H new ATOM 1232 N LEU A 84 2.151 0.957 9.906 1.00 71.21 N ATOM 1233 CA LEU A 84 2.931 1.807 9.028 1.00 33.53 C ATOM 1234 C LEU A 84 2.037 2.887 8.448 1.00 41.11 C ATOM 1235 O LEU A 84 2.415 4.043 8.377 1.00 51.43 O ATOM 1236 CB LEU A 84 3.673 0.985 7.925 1.00 23.44 C ATOM 1237 CG LEU A 84 2.839 0.362 6.784 1.00 21.12 C ATOM 1238 CD1 LEU A 84 2.671 1.327 5.611 1.00 60.21 C ATOM 1239 CD2 LEU A 84 3.437 -0.953 6.326 1.00 64.42 C ATOM 0 H LEU A 84 2.017 0.004 9.567 1.00 71.21 H new ATOM 0 HA LEU A 84 3.717 2.289 9.609 1.00 33.53 H new ATOM 0 HB2 LEU A 84 4.420 1.637 7.472 1.00 23.44 H new ATOM 0 HB3 LEU A 84 4.213 0.178 8.420 1.00 23.44 H new ATOM 0 HG LEU A 84 1.845 0.161 7.183 1.00 21.12 H new ATOM 0 HD11 LEU A 84 2.079 0.851 4.830 1.00 60.21 H new ATOM 0 HD12 LEU A 84 2.163 2.229 5.952 1.00 60.21 H new ATOM 0 HD13 LEU A 84 3.651 1.590 5.213 1.00 60.21 H new ATOM 0 HD21 LEU A 84 2.829 -1.369 5.522 1.00 64.42 H new ATOM 0 HD22 LEU A 84 4.451 -0.785 5.964 1.00 64.42 H new ATOM 0 HD23 LEU A 84 3.461 -1.652 7.162 1.00 64.42 H new ATOM 1251 N LEU A 85 0.824 2.502 8.089 1.00 40.44 N ATOM 1252 CA LEU A 85 -0.132 3.435 7.536 1.00 74.02 C ATOM 1253 C LEU A 85 -0.467 4.522 8.546 1.00 72.25 C ATOM 1254 O LEU A 85 -0.565 5.681 8.192 1.00 71.01 O ATOM 1255 CB LEU A 85 -1.397 2.712 7.075 1.00 24.55 C ATOM 1256 CG LEU A 85 -1.231 1.729 5.911 1.00 1.12 C ATOM 1257 CD1 LEU A 85 -2.530 1.002 5.651 1.00 21.11 C ATOM 1258 CD2 LEU A 85 -0.779 2.455 4.651 1.00 14.45 C ATOM 0 H LEU A 85 0.481 1.545 8.173 1.00 40.44 H new ATOM 0 HA LEU A 85 0.321 3.908 6.664 1.00 74.02 H new ATOM 0 HB2 LEU A 85 -1.810 2.169 7.925 1.00 24.55 H new ATOM 0 HB3 LEU A 85 -2.134 3.462 6.787 1.00 24.55 H new ATOM 0 HG LEU A 85 -0.466 1.003 6.185 1.00 1.12 H new ATOM 0 HD11 LEU A 85 -2.398 0.307 4.822 1.00 21.11 H new ATOM 0 HD12 LEU A 85 -2.823 0.450 6.544 1.00 21.11 H new ATOM 0 HD13 LEU A 85 -3.307 1.724 5.399 1.00 21.11 H new ATOM 0 HD21 LEU A 85 -0.668 1.738 3.838 1.00 14.45 H new ATOM 0 HD22 LEU A 85 -1.522 3.203 4.376 1.00 14.45 H new ATOM 0 HD23 LEU A 85 0.177 2.945 4.836 1.00 14.45 H new ATOM 1270 N THR A 86 -0.552 4.140 9.810 1.00 0.44 N ATOM 1271 CA THR A 86 -0.896 5.075 10.884 1.00 62.05 C ATOM 1272 C THR A 86 0.092 6.267 10.940 1.00 11.15 C ATOM 1273 O THR A 86 -0.332 7.419 10.961 1.00 4.44 O ATOM 1274 CB THR A 86 -0.952 4.361 12.274 1.00 62.42 C ATOM 1275 OG1 THR A 86 -1.922 3.293 12.248 1.00 63.03 O ATOM 1276 CG2 THR A 86 -1.325 5.336 13.383 1.00 22.51 C ATOM 0 H THR A 86 -0.387 3.184 10.125 1.00 0.44 H new ATOM 0 HA THR A 86 -1.889 5.461 10.656 1.00 62.05 H new ATOM 0 HB THR A 86 0.041 3.959 12.475 1.00 62.42 H new ATOM 0 HG1 THR A 86 -1.562 2.536 11.740 1.00 63.03 H new ATOM 0 HG21 THR A 86 -1.355 4.808 14.336 1.00 22.51 H new ATOM 0 HG22 THR A 86 -0.582 6.132 13.432 1.00 22.51 H new ATOM 0 HG23 THR A 86 -2.305 5.766 13.175 1.00 22.51 H new ATOM 1284 N ILE A 87 1.391 5.988 10.895 1.00 53.43 N ATOM 1285 CA ILE A 87 2.377 7.055 10.988 1.00 35.41 C ATOM 1286 C ILE A 87 2.347 7.967 9.739 1.00 31.22 C ATOM 1287 O ILE A 87 2.394 9.193 9.856 1.00 53.22 O ATOM 1288 CB ILE A 87 3.831 6.516 11.386 1.00 41.31 C ATOM 1289 CG1 ILE A 87 4.913 7.631 11.515 1.00 73.13 C ATOM 1290 CG2 ILE A 87 4.316 5.388 10.490 1.00 11.44 C ATOM 1291 CD1 ILE A 87 5.480 8.173 10.206 1.00 64.10 C ATOM 0 H ILE A 87 1.779 5.050 10.797 1.00 53.43 H new ATOM 0 HA ILE A 87 2.094 7.698 11.822 1.00 35.41 H new ATOM 0 HB ILE A 87 3.692 6.106 12.386 1.00 41.31 H new ATOM 0 HG12 ILE A 87 4.483 8.463 12.073 1.00 73.13 H new ATOM 0 HG13 ILE A 87 5.738 7.241 12.110 1.00 73.13 H new ATOM 0 HG21 ILE A 87 5.307 5.068 10.812 1.00 11.44 H new ATOM 0 HG22 ILE A 87 3.624 4.548 10.555 1.00 11.44 H new ATOM 0 HG23 ILE A 87 4.365 5.738 9.459 1.00 11.44 H new ATOM 0 HD11 ILE A 87 6.222 8.942 10.422 1.00 64.10 H new ATOM 0 HD12 ILE A 87 5.949 7.362 9.649 1.00 64.10 H new ATOM 0 HD13 ILE A 87 4.674 8.603 9.611 1.00 64.10 H new ATOM 1303 N LEU A 88 2.224 7.377 8.562 1.00 51.14 N ATOM 1304 CA LEU A 88 2.156 8.170 7.337 1.00 14.25 C ATOM 1305 C LEU A 88 0.885 8.993 7.239 1.00 60.00 C ATOM 1306 O LEU A 88 0.916 10.141 6.792 1.00 40.04 O ATOM 1307 CB LEU A 88 2.344 7.346 6.077 1.00 75.33 C ATOM 1308 CG LEU A 88 3.760 6.881 5.721 1.00 35.32 C ATOM 1309 CD1 LEU A 88 4.761 8.034 5.736 1.00 14.22 C ATOM 1310 CD2 LEU A 88 4.214 5.748 6.591 1.00 32.13 C ATOM 0 H LEU A 88 2.170 6.368 8.424 1.00 51.14 H new ATOM 0 HA LEU A 88 2.999 8.857 7.408 1.00 14.25 H new ATOM 0 HB2 LEU A 88 1.714 6.461 6.161 1.00 75.33 H new ATOM 0 HB3 LEU A 88 1.964 7.929 5.238 1.00 75.33 H new ATOM 0 HG LEU A 88 3.717 6.505 4.699 1.00 35.32 H new ATOM 0 HD11 LEU A 88 5.752 7.659 5.478 1.00 14.22 H new ATOM 0 HD12 LEU A 88 4.458 8.788 5.010 1.00 14.22 H new ATOM 0 HD13 LEU A 88 4.789 8.479 6.731 1.00 14.22 H new ATOM 0 HD21 LEU A 88 5.222 5.450 6.304 1.00 32.13 H new ATOM 0 HD22 LEU A 88 4.213 6.067 7.633 1.00 32.13 H new ATOM 0 HD23 LEU A 88 3.538 4.902 6.469 1.00 32.13 H new ATOM 1322 N HIS A 89 -0.223 8.421 7.656 1.00 72.42 N ATOM 1323 CA HIS A 89 -1.507 9.117 7.620 1.00 10.51 C ATOM 1324 C HIS A 89 -1.495 10.280 8.588 1.00 71.44 C ATOM 1325 O HIS A 89 -2.055 11.345 8.311 1.00 72.22 O ATOM 1326 CB HIS A 89 -2.686 8.162 7.898 1.00 63.03 C ATOM 1327 CG HIS A 89 -2.903 7.131 6.817 1.00 15.31 C ATOM 1328 ND1 HIS A 89 -2.495 7.124 5.519 1.00 44.33 N flip ATOM 1329 CD2 HIS A 89 -3.594 5.952 6.997 1.00 75.32 C flip ATOM 1330 CE1 HIS A 89 -2.927 5.951 4.911 1.00 41.43 C flip ATOM 1331 NE2 HIS A 89 -3.582 5.285 5.841 1.00 0.41 N flip ATOM 0 H HIS A 89 -0.269 7.472 8.027 1.00 72.42 H new ATOM 0 HA HIS A 89 -1.653 9.507 6.613 1.00 10.51 H new ATOM 0 HB2 HIS A 89 -2.512 7.651 8.845 1.00 63.03 H new ATOM 0 HB3 HIS A 89 -3.597 8.749 8.015 1.00 63.03 H new ATOM 0 HD2 HIS A 89 -4.063 5.625 7.913 1.00 75.32 H new ATOM 0 HE1 HIS A 89 -2.760 5.648 3.888 1.00 41.43 H new ATOM 0 HE2 HIS A 89 -4.023 4.377 5.696 1.00 0.41 H new ATOM 1339 N ASP A 90 -0.788 10.097 9.690 1.00 45.33 N ATOM 1340 CA ASP A 90 -0.615 11.144 10.692 1.00 41.34 C ATOM 1341 C ASP A 90 0.239 12.280 10.125 1.00 40.42 C ATOM 1342 O ASP A 90 0.101 13.446 10.516 1.00 22.24 O ATOM 1343 CB ASP A 90 0.004 10.564 11.975 1.00 21.41 C ATOM 1344 CG ASP A 90 0.208 11.585 13.076 1.00 30.31 C ATOM 1345 OD1 ASP A 90 -0.786 12.008 13.713 1.00 42.51 O ATOM 1346 OD2 ASP A 90 1.375 11.939 13.367 1.00 72.31 O ATOM 0 H ASP A 90 -0.317 9.222 9.919 1.00 45.33 H new ATOM 0 HA ASP A 90 -1.592 11.552 10.951 1.00 41.34 H new ATOM 0 HB2 ASP A 90 -0.638 9.766 12.348 1.00 21.41 H new ATOM 0 HB3 ASP A 90 0.965 10.112 11.730 1.00 21.41 H new ATOM 1351 N GLY A 91 1.082 11.942 9.156 1.00 33.13 N ATOM 1352 CA GLY A 91 1.923 12.918 8.496 1.00 2.51 C ATOM 1353 C GLY A 91 1.241 13.529 7.277 1.00 51.14 C ATOM 1354 O GLY A 91 1.788 14.418 6.625 1.00 12.11 O ATOM 0 H GLY A 91 1.197 10.989 8.812 1.00 33.13 H new ATOM 0 HA2 GLY A 91 2.182 13.708 9.200 1.00 2.51 H new ATOM 0 HA3 GLY A 91 2.856 12.445 8.190 1.00 2.51 H new ATOM 1358 N GLY A 92 0.051 13.048 6.965 1.00 60.11 N ATOM 1359 CA GLY A 92 -0.706 13.582 5.850 1.00 45.20 C ATOM 1360 C GLY A 92 -0.288 13.000 4.513 1.00 71.32 C ATOM 1361 O GLY A 92 -0.312 13.690 3.492 1.00 2.24 O ATOM 0 H GLY A 92 -0.410 12.290 7.468 1.00 60.11 H new ATOM 0 HA2 GLY A 92 -1.766 13.384 6.010 1.00 45.20 H new ATOM 0 HA3 GLY A 92 -0.585 14.665 5.822 1.00 45.20 H new ATOM 1365 N TYR A 93 0.107 11.753 4.521 1.00 15.15 N ATOM 1366 CA TYR A 93 0.497 11.056 3.307 1.00 2.03 C ATOM 1367 C TYR A 93 -0.688 10.348 2.665 1.00 74.12 C ATOM 1368 O TYR A 93 -1.718 10.123 3.310 1.00 10.42 O ATOM 1369 CB TYR A 93 1.614 10.053 3.599 1.00 70.24 C ATOM 1370 CG TYR A 93 3.011 10.623 3.541 1.00 11.50 C ATOM 1371 CD1 TYR A 93 3.448 11.619 4.412 1.00 73.41 C ATOM 1372 CD2 TYR A 93 3.889 10.170 2.578 1.00 71.34 C ATOM 1373 CE1 TYR A 93 4.735 12.135 4.306 1.00 24.00 C ATOM 1374 CE2 TYR A 93 5.153 10.674 2.462 1.00 1.23 C ATOM 1375 CZ TYR A 93 5.581 11.652 3.321 1.00 52.30 C ATOM 1376 OH TYR A 93 6.853 12.167 3.169 1.00 50.34 O ATOM 0 H TYR A 93 0.170 11.185 5.366 1.00 15.15 H new ATOM 0 HA TYR A 93 0.865 11.802 2.603 1.00 2.03 H new ATOM 0 HB2 TYR A 93 1.451 9.628 4.590 1.00 70.24 H new ATOM 0 HB3 TYR A 93 1.542 9.233 2.885 1.00 70.24 H new ATOM 0 HD1 TYR A 93 2.782 11.993 5.175 1.00 73.41 H new ATOM 0 HD2 TYR A 93 3.568 9.396 1.897 1.00 71.34 H new ATOM 0 HE1 TYR A 93 5.072 12.905 4.985 1.00 24.00 H new ATOM 0 HE2 TYR A 93 5.815 10.302 1.694 1.00 1.23 H new ATOM 0 HH TYR A 93 7.205 12.432 4.044 1.00 50.34 H new ATOM 1386 N ARG A 94 -0.560 10.054 1.387 1.00 63.20 N ATOM 1387 CA ARG A 94 -1.568 9.298 0.660 1.00 51.20 C ATOM 1388 C ARG A 94 -1.012 7.924 0.279 1.00 2.32 C ATOM 1389 O ARG A 94 0.199 7.692 0.361 1.00 3.41 O ATOM 1390 CB ARG A 94 -2.064 10.033 -0.605 1.00 63.45 C ATOM 1391 CG ARG A 94 -1.003 10.211 -1.676 1.00 43.05 C ATOM 1392 CD ARG A 94 -1.557 10.821 -2.952 1.00 32.31 C ATOM 1393 NE ARG A 94 -2.606 9.994 -3.565 1.00 73.34 N ATOM 1394 CZ ARG A 94 -3.000 10.071 -4.853 1.00 32.02 C ATOM 1395 NH1 ARG A 94 -2.272 10.744 -5.760 1.00 24.20 N ATOM 1396 NH2 ARG A 94 -4.087 9.429 -5.243 1.00 51.31 N ATOM 0 H ARG A 94 0.243 10.330 0.821 1.00 63.20 H new ATOM 0 HA ARG A 94 -2.426 9.184 1.323 1.00 51.20 H new ATOM 0 HB2 ARG A 94 -2.902 9.480 -1.028 1.00 63.45 H new ATOM 0 HB3 ARG A 94 -2.442 11.014 -0.317 1.00 63.45 H new ATOM 0 HG2 ARG A 94 -0.206 10.847 -1.290 1.00 43.05 H new ATOM 0 HG3 ARG A 94 -0.557 9.243 -1.904 1.00 43.05 H new ATOM 0 HD2 ARG A 94 -1.961 11.809 -2.732 1.00 32.31 H new ATOM 0 HD3 ARG A 94 -0.745 10.960 -3.666 1.00 32.31 H new ATOM 0 HE ARG A 94 -3.072 9.309 -2.971 1.00 73.34 H new ATOM 0 HH11 ARG A 94 -1.407 11.206 -5.479 1.00 24.20 H new ATOM 0 HH12 ARG A 94 -2.584 10.793 -6.730 1.00 24.20 H new ATOM 0 HH21 ARG A 94 -4.623 8.879 -4.572 1.00 51.31 H new ATOM 0 HH22 ARG A 94 -4.390 9.483 -6.215 1.00 51.31 H new ATOM 1410 N ASP A 95 -1.891 7.082 -0.222 1.00 71.41 N ATOM 1411 CA ASP A 95 -1.645 5.664 -0.588 1.00 62.44 C ATOM 1412 C ASP A 95 -0.461 5.504 -1.548 1.00 73.14 C ATOM 1413 O ASP A 95 0.437 4.671 -1.328 1.00 61.54 O ATOM 1414 CB ASP A 95 -2.921 5.122 -1.285 1.00 73.13 C ATOM 1415 CG ASP A 95 -3.285 5.935 -2.545 1.00 14.11 C ATOM 1416 OD1 ASP A 95 -3.502 7.183 -2.425 1.00 23.32 O ATOM 1417 OD2 ASP A 95 -3.253 5.392 -3.651 1.00 65.34 O ATOM 0 H ASP A 95 -2.855 7.363 -0.403 1.00 71.41 H new ATOM 0 HA ASP A 95 -1.408 5.114 0.323 1.00 62.44 H new ATOM 0 HB2 ASP A 95 -2.768 4.078 -1.559 1.00 73.13 H new ATOM 0 HB3 ASP A 95 -3.755 5.148 -0.584 1.00 73.13 H new ATOM 1422 N THR A 96 -0.440 6.339 -2.551 1.00 11.32 N ATOM 1423 CA THR A 96 0.553 6.329 -3.568 1.00 31.01 C ATOM 1424 C THR A 96 1.937 6.602 -2.967 1.00 31.40 C ATOM 1425 O THR A 96 2.922 5.944 -3.296 1.00 70.23 O ATOM 1426 CB THR A 96 0.185 7.398 -4.601 1.00 1.14 C ATOM 1427 OG1 THR A 96 -1.182 7.179 -5.035 1.00 15.02 O ATOM 1428 CG2 THR A 96 1.133 7.365 -5.792 1.00 63.44 C ATOM 0 H THR A 96 -1.143 7.067 -2.679 1.00 11.32 H new ATOM 0 HA THR A 96 0.593 5.351 -4.047 1.00 31.01 H new ATOM 0 HB THR A 96 0.275 8.382 -4.141 1.00 1.14 H new ATOM 0 HG1 THR A 96 -1.362 6.217 -5.076 1.00 15.02 H new ATOM 0 HG21 THR A 96 0.845 8.135 -6.507 1.00 63.44 H new ATOM 0 HG22 THR A 96 2.152 7.548 -5.451 1.00 63.44 H new ATOM 0 HG23 THR A 96 1.081 6.387 -6.271 1.00 63.44 H new ATOM 1436 N GLU A 97 1.982 7.542 -2.049 1.00 23.34 N ATOM 1437 CA GLU A 97 3.217 7.944 -1.424 1.00 4.24 C ATOM 1438 C GLU A 97 3.786 6.843 -0.567 1.00 21.43 C ATOM 1439 O GLU A 97 4.994 6.654 -0.533 1.00 71.33 O ATOM 1440 CB GLU A 97 3.018 9.183 -0.612 1.00 13.35 C ATOM 1441 CG GLU A 97 2.467 10.321 -1.411 1.00 64.33 C ATOM 1442 CD GLU A 97 2.349 11.558 -0.602 1.00 52.41 C ATOM 1443 OE1 GLU A 97 1.433 11.653 0.232 1.00 61.15 O ATOM 1444 OE2 GLU A 97 3.165 12.467 -0.793 1.00 63.52 O ATOM 0 H GLU A 97 1.161 8.048 -1.716 1.00 23.34 H new ATOM 0 HA GLU A 97 3.933 8.155 -2.218 1.00 4.24 H new ATOM 0 HB2 GLU A 97 2.341 8.965 0.214 1.00 13.35 H new ATOM 0 HB3 GLU A 97 3.971 9.481 -0.174 1.00 13.35 H new ATOM 0 HG2 GLU A 97 3.113 10.508 -2.269 1.00 64.33 H new ATOM 0 HG3 GLU A 97 1.487 10.049 -1.803 1.00 64.33 H new ATOM 1451 N ILE A 98 2.904 6.089 0.090 1.00 10.20 N ATOM 1452 CA ILE A 98 3.330 5.014 0.980 1.00 72.10 C ATOM 1453 C ILE A 98 4.103 4.002 0.160 1.00 23.43 C ATOM 1454 O ILE A 98 5.220 3.616 0.495 1.00 70.53 O ATOM 1455 CB ILE A 98 2.128 4.243 1.613 1.00 33.14 C ATOM 1456 CG1 ILE A 98 1.006 5.168 2.104 1.00 14.43 C ATOM 1457 CG2 ILE A 98 2.611 3.378 2.757 1.00 53.01 C ATOM 1458 CD1 ILE A 98 1.429 6.225 3.080 1.00 33.50 C ATOM 0 H ILE A 98 1.893 6.204 0.021 1.00 10.20 H new ATOM 0 HA ILE A 98 3.919 5.468 1.777 1.00 72.10 H new ATOM 0 HB ILE A 98 1.706 3.624 0.822 1.00 33.14 H new ATOM 0 HG12 ILE A 98 0.554 5.655 1.240 1.00 14.43 H new ATOM 0 HG13 ILE A 98 0.231 4.558 2.568 1.00 14.43 H new ATOM 0 HG21 ILE A 98 1.766 2.845 3.192 1.00 53.01 H new ATOM 0 HG22 ILE A 98 3.342 2.659 2.386 1.00 53.01 H new ATOM 0 HG23 ILE A 98 3.074 4.006 3.518 1.00 53.01 H new ATOM 0 HD11 ILE A 98 0.564 6.824 3.365 1.00 33.50 H new ATOM 0 HD12 ILE A 98 1.851 5.753 3.967 1.00 33.50 H new ATOM 0 HD13 ILE A 98 2.179 6.867 2.619 1.00 33.50 H new ATOM 1470 N MET A 99 3.518 3.647 -0.967 1.00 44.44 N ATOM 1471 CA MET A 99 4.081 2.645 -1.837 1.00 52.34 C ATOM 1472 C MET A 99 5.302 3.166 -2.583 1.00 62.32 C ATOM 1473 O MET A 99 6.140 2.380 -3.013 1.00 63.40 O ATOM 1474 CB MET A 99 3.038 2.143 -2.829 1.00 12.40 C ATOM 1475 CG MET A 99 1.790 1.584 -2.181 1.00 2.21 C ATOM 1476 SD MET A 99 0.643 0.887 -3.372 1.00 61.15 S ATOM 1477 CE MET A 99 -0.750 0.545 -2.301 1.00 51.30 C ATOM 0 H MET A 99 2.641 4.047 -1.301 1.00 44.44 H new ATOM 0 HA MET A 99 4.401 1.815 -1.207 1.00 52.34 H new ATOM 0 HB2 MET A 99 2.756 2.963 -3.490 1.00 12.40 H new ATOM 0 HB3 MET A 99 3.488 1.371 -3.453 1.00 12.40 H new ATOM 0 HG2 MET A 99 2.072 0.815 -1.462 1.00 2.21 H new ATOM 0 HG3 MET A 99 1.290 2.375 -1.622 1.00 2.21 H new ATOM 0 HE1 MET A 99 -1.321 -0.292 -2.703 1.00 51.30 H new ATOM 0 HE2 MET A 99 -0.389 0.293 -1.304 1.00 51.30 H new ATOM 0 HE3 MET A 99 -1.389 1.426 -2.243 1.00 51.30 H new ATOM 1487 N ARG A 100 5.414 4.490 -2.698 1.00 55.11 N ATOM 1488 CA ARG A 100 6.496 5.127 -3.445 1.00 43.20 C ATOM 1489 C ARG A 100 7.856 4.698 -2.882 1.00 53.34 C ATOM 1490 O ARG A 100 8.656 4.050 -3.570 1.00 35.22 O ATOM 1491 CB ARG A 100 6.331 6.644 -3.387 1.00 2.02 C ATOM 1492 CG ARG A 100 7.216 7.427 -4.331 1.00 25.41 C ATOM 1493 CD ARG A 100 6.974 8.915 -4.158 1.00 73.12 C ATOM 1494 NE ARG A 100 7.675 9.730 -5.154 1.00 65.00 N ATOM 1495 CZ ARG A 100 7.323 10.986 -5.467 1.00 55.52 C ATOM 1496 NH1 ARG A 100 6.459 11.650 -4.692 1.00 64.41 N ATOM 1497 NH2 ARG A 100 7.876 11.602 -6.503 1.00 3.41 N ATOM 0 H ARG A 100 4.758 5.148 -2.277 1.00 55.11 H new ATOM 0 HA ARG A 100 6.452 4.811 -4.487 1.00 43.20 H new ATOM 0 HB2 ARG A 100 5.291 6.888 -3.604 1.00 2.02 H new ATOM 0 HB3 ARG A 100 6.531 6.976 -2.368 1.00 2.02 H new ATOM 0 HG2 ARG A 100 8.263 7.196 -4.136 1.00 25.41 H new ATOM 0 HG3 ARG A 100 7.011 7.135 -5.361 1.00 25.41 H new ATOM 0 HD2 ARG A 100 5.904 9.113 -4.223 1.00 73.12 H new ATOM 0 HD3 ARG A 100 7.294 9.216 -3.160 1.00 73.12 H new ATOM 0 HE ARG A 100 8.475 9.320 -5.636 1.00 65.00 H new ATOM 0 HH11 ARG A 100 6.068 11.201 -3.864 1.00 64.41 H new ATOM 0 HH12 ARG A 100 6.191 12.605 -4.929 1.00 64.41 H new ATOM 0 HH21 ARG A 100 8.575 11.121 -7.069 1.00 3.41 H new ATOM 0 HH22 ARG A 100 7.602 12.557 -6.734 1.00 3.41 H new ATOM 1511 N TRP A 101 8.112 5.048 -1.643 1.00 2.53 N ATOM 1512 CA TRP A 101 9.331 4.625 -0.984 1.00 2.14 C ATOM 1513 C TRP A 101 9.356 3.119 -0.675 1.00 4.14 C ATOM 1514 O TRP A 101 10.410 2.503 -0.710 1.00 52.33 O ATOM 1515 CB TRP A 101 9.705 5.510 0.225 1.00 0.42 C ATOM 1516 CG TRP A 101 8.568 5.843 1.136 1.00 21.44 C ATOM 1517 CD1 TRP A 101 7.850 7.000 1.135 1.00 34.12 C ATOM 1518 CD2 TRP A 101 8.017 5.029 2.175 1.00 52.13 C ATOM 1519 NE1 TRP A 101 6.892 6.955 2.103 1.00 64.04 N ATOM 1520 CE2 TRP A 101 6.974 5.753 2.753 1.00 63.02 C ATOM 1521 CE3 TRP A 101 8.304 3.758 2.671 1.00 41.11 C ATOM 1522 CZ2 TRP A 101 6.219 5.254 3.789 1.00 21.20 C ATOM 1523 CZ3 TRP A 101 7.548 3.265 3.701 1.00 42.11 C ATOM 1524 CH2 TRP A 101 6.518 4.010 4.253 1.00 13.21 C ATOM 0 H TRP A 101 7.495 5.624 -1.070 1.00 2.53 H new ATOM 0 HA TRP A 101 10.130 4.782 -1.709 1.00 2.14 H new ATOM 0 HB2 TRP A 101 10.478 5.003 0.803 1.00 0.42 H new ATOM 0 HB3 TRP A 101 10.140 6.439 -0.144 1.00 0.42 H new ATOM 0 HD1 TRP A 101 8.015 7.831 0.465 1.00 34.12 H new ATOM 0 HE1 TRP A 101 6.223 7.696 2.310 1.00 64.04 H new ATOM 0 HE3 TRP A 101 9.108 3.173 2.250 1.00 41.11 H new ATOM 0 HZ2 TRP A 101 5.415 5.831 4.220 1.00 21.20 H new ATOM 0 HZ3 TRP A 101 7.758 2.279 4.090 1.00 42.11 H new ATOM 0 HH2 TRP A 101 5.942 3.596 5.067 1.00 13.21 H new ATOM 1535 N LEU A 102 8.189 2.533 -0.396 1.00 15.42 N ATOM 1536 CA LEU A 102 8.090 1.098 -0.068 1.00 73.21 C ATOM 1537 C LEU A 102 8.612 0.183 -1.170 1.00 24.14 C ATOM 1538 O LEU A 102 9.270 -0.817 -0.886 1.00 35.30 O ATOM 1539 CB LEU A 102 6.649 0.697 0.250 1.00 62.41 C ATOM 1540 CG LEU A 102 6.144 0.870 1.674 1.00 34.00 C ATOM 1541 CD1 LEU A 102 4.682 0.504 1.749 1.00 40.02 C ATOM 1542 CD2 LEU A 102 6.928 -0.001 2.617 1.00 34.12 C ATOM 0 H LEU A 102 7.296 3.026 -0.389 1.00 15.42 H new ATOM 0 HA LEU A 102 8.724 0.967 0.809 1.00 73.21 H new ATOM 0 HB2 LEU A 102 5.993 1.270 -0.406 1.00 62.41 H new ATOM 0 HB3 LEU A 102 6.530 -0.353 -0.018 1.00 62.41 H new ATOM 0 HG LEU A 102 6.273 1.913 1.964 1.00 34.00 H new ATOM 0 HD11 LEU A 102 4.327 0.630 2.772 1.00 40.02 H new ATOM 0 HD12 LEU A 102 4.110 1.151 1.084 1.00 40.02 H new ATOM 0 HD13 LEU A 102 4.551 -0.535 1.445 1.00 40.02 H new ATOM 0 HD21 LEU A 102 6.555 0.134 3.632 1.00 34.12 H new ATOM 0 HD22 LEU A 102 6.817 -1.045 2.325 1.00 34.12 H new ATOM 0 HD23 LEU A 102 7.981 0.276 2.578 1.00 34.12 H new ATOM 1554 N PHE A 103 8.322 0.503 -2.405 1.00 13.24 N ATOM 1555 CA PHE A 103 8.721 -0.359 -3.507 1.00 74.54 C ATOM 1556 C PHE A 103 10.093 -0.032 -4.043 1.00 52.51 C ATOM 1557 O PHE A 103 10.715 -0.851 -4.720 1.00 41.23 O ATOM 1558 CB PHE A 103 7.675 -0.364 -4.617 1.00 32.12 C ATOM 1559 CG PHE A 103 6.428 -1.128 -4.263 1.00 75.50 C ATOM 1560 CD1 PHE A 103 5.471 -0.594 -3.413 1.00 2.20 C ATOM 1561 CD2 PHE A 103 6.208 -2.380 -4.798 1.00 34.12 C ATOM 1562 CE1 PHE A 103 4.327 -1.295 -3.109 1.00 53.14 C ATOM 1563 CE2 PHE A 103 5.068 -3.086 -4.494 1.00 1.25 C ATOM 1564 CZ PHE A 103 4.126 -2.540 -3.649 1.00 45.11 C ATOM 0 H PHE A 103 7.816 1.345 -2.680 1.00 13.24 H new ATOM 0 HA PHE A 103 8.785 -1.368 -3.099 1.00 74.54 H new ATOM 0 HB2 PHE A 103 7.406 0.665 -4.856 1.00 32.12 H new ATOM 0 HB3 PHE A 103 8.113 -0.796 -5.517 1.00 32.12 H new ATOM 0 HD1 PHE A 103 5.626 0.385 -2.984 1.00 2.20 H new ATOM 0 HD2 PHE A 103 6.940 -2.811 -5.464 1.00 34.12 H new ATOM 0 HE1 PHE A 103 3.589 -0.866 -2.447 1.00 53.14 H new ATOM 0 HE2 PHE A 103 4.911 -4.067 -4.917 1.00 1.25 H new ATOM 0 HZ PHE A 103 3.229 -3.093 -3.412 1.00 45.11 H new ATOM 1574 N THR A 104 10.576 1.121 -3.721 1.00 21.21 N ATOM 1575 CA THR A 104 11.867 1.542 -4.182 1.00 71.44 C ATOM 1576 C THR A 104 12.966 1.060 -3.208 1.00 53.54 C ATOM 1577 O THR A 104 12.925 1.392 -2.021 1.00 50.41 O ATOM 1578 CB THR A 104 11.888 3.077 -4.328 1.00 72.33 C ATOM 1579 OG1 THR A 104 10.766 3.478 -5.156 1.00 74.55 O ATOM 1580 CG2 THR A 104 13.186 3.551 -4.979 1.00 45.41 C ATOM 0 H THR A 104 10.093 1.800 -3.133 1.00 21.21 H new ATOM 0 HA THR A 104 12.067 1.098 -5.157 1.00 71.44 H new ATOM 0 HB THR A 104 11.819 3.526 -3.337 1.00 72.33 H new ATOM 0 HG1 THR A 104 10.052 3.836 -4.588 1.00 74.55 H new ATOM 0 HG21 THR A 104 13.172 4.637 -5.069 1.00 45.41 H new ATOM 0 HG22 THR A 104 14.033 3.248 -4.364 1.00 45.41 H new ATOM 0 HG23 THR A 104 13.280 3.106 -5.970 1.00 45.41 H new ATOM 1588 N PRO A 105 13.911 0.210 -3.679 1.00 33.11 N ATOM 1589 CA PRO A 105 15.040 -0.260 -2.862 1.00 31.03 C ATOM 1590 C PRO A 105 15.839 0.907 -2.296 1.00 32.45 C ATOM 1591 O PRO A 105 16.224 1.826 -3.035 1.00 21.44 O ATOM 1592 CB PRO A 105 15.897 -1.048 -3.853 1.00 0.31 C ATOM 1593 CG PRO A 105 14.941 -1.490 -4.896 1.00 3.12 C ATOM 1594 CD PRO A 105 13.940 -0.380 -5.030 1.00 22.23 C ATOM 0 HA PRO A 105 14.713 -0.848 -2.004 1.00 31.03 H new ATOM 0 HB2 PRO A 105 16.688 -0.428 -4.276 1.00 0.31 H new ATOM 0 HB3 PRO A 105 16.381 -1.898 -3.372 1.00 0.31 H new ATOM 0 HG2 PRO A 105 15.451 -1.673 -5.842 1.00 3.12 H new ATOM 0 HG3 PRO A 105 14.455 -2.423 -4.611 1.00 3.12 H new ATOM 0 HD2 PRO A 105 14.244 0.349 -5.781 1.00 22.23 H new ATOM 0 HD3 PRO A 105 12.960 -0.754 -5.327 1.00 22.23 H new ATOM 1602 N ASP A 106 16.081 0.875 -1.011 1.00 51.42 N ATOM 1603 CA ASP A 106 16.778 1.962 -0.349 1.00 3.44 C ATOM 1604 C ASP A 106 18.252 1.625 -0.217 1.00 65.24 C ATOM 1605 O ASP A 106 18.600 0.559 0.311 1.00 0.42 O ATOM 1606 CB ASP A 106 16.185 2.231 1.029 1.00 53.11 C ATOM 1607 CG ASP A 106 16.750 3.474 1.676 1.00 72.41 C ATOM 1608 OD1 ASP A 106 17.835 3.412 2.300 1.00 1.44 O ATOM 1609 OD2 ASP A 106 16.105 4.542 1.593 1.00 12.21 O ATOM 0 H ASP A 106 15.807 0.109 -0.396 1.00 51.42 H new ATOM 0 HA ASP A 106 16.663 2.861 -0.954 1.00 3.44 H new ATOM 0 HB2 ASP A 106 15.103 2.332 0.941 1.00 53.11 H new ATOM 0 HB3 ASP A 106 16.373 1.373 1.675 1.00 53.11 H new ATOM 1614 N PRO A 107 19.141 2.528 -0.682 1.00 43.13 N ATOM 1615 CA PRO A 107 20.602 2.311 -0.680 1.00 53.32 C ATOM 1616 C PRO A 107 21.209 2.093 0.712 1.00 4.24 C ATOM 1617 O PRO A 107 22.308 1.547 0.836 1.00 43.45 O ATOM 1618 CB PRO A 107 21.167 3.603 -1.288 1.00 13.05 C ATOM 1619 CG PRO A 107 20.072 4.606 -1.174 1.00 51.22 C ATOM 1620 CD PRO A 107 18.793 3.836 -1.276 1.00 42.45 C ATOM 0 HA PRO A 107 20.845 1.401 -1.229 1.00 53.32 H new ATOM 0 HB2 PRO A 107 22.058 3.932 -0.753 1.00 13.05 H new ATOM 0 HB3 PRO A 107 21.456 3.454 -2.328 1.00 13.05 H new ATOM 0 HG2 PRO A 107 20.130 5.141 -0.226 1.00 51.22 H new ATOM 0 HG3 PRO A 107 20.142 5.352 -1.966 1.00 51.22 H new ATOM 0 HD2 PRO A 107 17.984 4.324 -0.732 1.00 42.45 H new ATOM 0 HD3 PRO A 107 18.465 3.734 -2.310 1.00 42.45 H new ATOM 1628 N SER A 108 20.516 2.510 1.743 1.00 32.11 N ATOM 1629 CA SER A 108 21.044 2.398 3.075 1.00 3.51 C ATOM 1630 C SER A 108 20.280 1.380 3.911 1.00 23.23 C ATOM 1631 O SER A 108 20.543 1.209 5.104 1.00 13.20 O ATOM 1632 CB SER A 108 21.092 3.781 3.734 1.00 62.15 C ATOM 1633 OG SER A 108 19.865 4.503 3.569 1.00 72.01 O ATOM 0 H SER A 108 19.588 2.929 1.683 1.00 32.11 H new ATOM 0 HA SER A 108 22.064 2.019 3.012 1.00 3.51 H new ATOM 0 HB2 SER A 108 21.305 3.668 4.797 1.00 62.15 H new ATOM 0 HB3 SER A 108 21.911 4.358 3.305 1.00 62.15 H new ATOM 0 HG SER A 108 19.131 3.871 3.423 1.00 72.01 H new ATOM 1639 N LEU A 109 19.378 0.671 3.283 1.00 43.54 N ATOM 1640 CA LEU A 109 18.579 -0.291 3.975 1.00 33.21 C ATOM 1641 C LEU A 109 19.098 -1.693 3.704 1.00 35.24 C ATOM 1642 O LEU A 109 19.390 -2.057 2.563 1.00 23.25 O ATOM 1643 CB LEU A 109 17.120 -0.150 3.548 1.00 13.04 C ATOM 1644 CG LEU A 109 16.108 -1.085 4.204 1.00 74.12 C ATOM 1645 CD1 LEU A 109 16.142 -0.954 5.707 1.00 4.34 C ATOM 1646 CD2 LEU A 109 14.722 -0.781 3.692 1.00 64.54 C ATOM 0 H LEU A 109 19.182 0.747 2.285 1.00 43.54 H new ATOM 0 HA LEU A 109 18.642 -0.112 5.048 1.00 33.21 H new ATOM 0 HB2 LEU A 109 16.808 0.876 3.744 1.00 13.04 H new ATOM 0 HB3 LEU A 109 17.068 -0.299 2.469 1.00 13.04 H new ATOM 0 HG LEU A 109 16.373 -2.110 3.946 1.00 74.12 H new ATOM 0 HD11 LEU A 109 15.411 -1.632 6.148 1.00 4.34 H new ATOM 0 HD12 LEU A 109 17.137 -1.207 6.072 1.00 4.34 H new ATOM 0 HD13 LEU A 109 15.902 0.071 5.988 1.00 4.34 H new ATOM 0 HD21 LEU A 109 14.004 -1.452 4.164 1.00 64.54 H new ATOM 0 HD22 LEU A 109 14.465 0.251 3.930 1.00 64.54 H new ATOM 0 HD23 LEU A 109 14.694 -0.922 2.612 1.00 64.54 H new ATOM 1658 N THR A 110 19.259 -2.450 4.749 1.00 72.30 N ATOM 1659 CA THR A 110 19.726 -3.803 4.656 1.00 25.21 C ATOM 1660 C THR A 110 18.648 -4.739 5.212 1.00 75.51 C ATOM 1661 O THR A 110 18.210 -4.589 6.367 1.00 51.23 O ATOM 1662 CB THR A 110 21.038 -3.945 5.439 1.00 14.52 C ATOM 1663 OG1 THR A 110 21.912 -2.874 5.035 1.00 64.34 O ATOM 1664 CG2 THR A 110 21.704 -5.270 5.127 1.00 2.21 C ATOM 0 H THR A 110 19.067 -2.142 5.702 1.00 72.30 H new ATOM 0 HA THR A 110 19.919 -4.069 3.617 1.00 25.21 H new ATOM 0 HB THR A 110 20.833 -3.904 6.509 1.00 14.52 H new ATOM 0 HG1 THR A 110 22.759 -2.941 5.523 1.00 64.34 H new ATOM 0 HG21 THR A 110 22.633 -5.352 5.692 1.00 2.21 H new ATOM 0 HG22 THR A 110 21.037 -6.087 5.404 1.00 2.21 H new ATOM 0 HG23 THR A 110 21.922 -5.326 4.060 1.00 2.21 H new ATOM 1672 N ILE A 111 18.213 -5.667 4.392 1.00 24.24 N ATOM 1673 CA ILE A 111 17.112 -6.557 4.715 1.00 1.45 C ATOM 1674 C ILE A 111 17.519 -7.989 4.425 1.00 70.40 C ATOM 1675 O ILE A 111 18.395 -8.231 3.619 1.00 4.42 O ATOM 1676 CB ILE A 111 15.882 -6.227 3.804 1.00 44.22 C ATOM 1677 CG1 ILE A 111 15.463 -4.763 3.952 1.00 32.10 C ATOM 1678 CG2 ILE A 111 14.700 -7.170 4.064 1.00 15.42 C ATOM 1679 CD1 ILE A 111 14.300 -4.358 3.078 1.00 23.51 C ATOM 0 H ILE A 111 18.616 -5.831 3.469 1.00 24.24 H new ATOM 0 HA ILE A 111 16.857 -6.430 5.767 1.00 1.45 H new ATOM 0 HB ILE A 111 16.197 -6.387 2.773 1.00 44.22 H new ATOM 0 HG12 ILE A 111 15.202 -4.575 4.994 1.00 32.10 H new ATOM 0 HG13 ILE A 111 16.317 -4.127 3.718 1.00 32.10 H new ATOM 0 HG21 ILE A 111 13.870 -6.903 3.409 1.00 15.42 H new ATOM 0 HG22 ILE A 111 15.004 -8.198 3.864 1.00 15.42 H new ATOM 0 HG23 ILE A 111 14.385 -7.081 5.104 1.00 15.42 H new ATOM 0 HD11 ILE A 111 14.068 -3.306 3.245 1.00 23.51 H new ATOM 0 HD12 ILE A 111 14.562 -4.510 2.031 1.00 23.51 H new ATOM 0 HD13 ILE A 111 13.429 -4.965 3.326 1.00 23.51 H new ATOM 1805 N VAL A 120 20.896 -8.626 2.704 1.00 12.33 N ATOM 1806 CA VAL A 120 20.876 -8.019 1.395 1.00 55.42 C ATOM 1807 C VAL A 120 20.774 -6.508 1.541 1.00 12.00 C ATOM 1808 O VAL A 120 19.812 -5.984 2.127 1.00 14.14 O ATOM 1809 CB VAL A 120 19.676 -8.537 0.546 1.00 31.02 C ATOM 1810 CG1 VAL A 120 19.689 -7.937 -0.859 1.00 63.33 C ATOM 1811 CG2 VAL A 120 19.669 -10.059 0.478 1.00 34.41 C ATOM 0 HA VAL A 120 21.799 -8.288 0.881 1.00 55.42 H new ATOM 0 HB VAL A 120 18.761 -8.213 1.042 1.00 31.02 H new ATOM 0 HG11 VAL A 120 18.839 -8.318 -1.425 1.00 63.33 H new ATOM 0 HG12 VAL A 120 19.622 -6.851 -0.792 1.00 63.33 H new ATOM 0 HG13 VAL A 120 20.615 -8.213 -1.364 1.00 63.33 H new ATOM 0 HG21 VAL A 120 18.821 -10.393 -0.120 1.00 34.41 H new ATOM 0 HG22 VAL A 120 20.595 -10.407 0.021 1.00 34.41 H new ATOM 0 HG23 VAL A 120 19.586 -10.468 1.485 1.00 34.41 H new ATOM 1821 N SER A 121 21.757 -5.824 1.053 1.00 14.50 N ATOM 1822 CA SER A 121 21.773 -4.395 1.087 1.00 15.43 C ATOM 1823 C SER A 121 21.060 -3.870 -0.143 1.00 43.21 C ATOM 1824 O SER A 121 21.162 -4.465 -1.224 1.00 45.50 O ATOM 1825 CB SER A 121 23.216 -3.906 1.140 1.00 72.14 C ATOM 1826 OG SER A 121 23.926 -4.568 2.186 1.00 63.50 O ATOM 0 H SER A 121 22.578 -6.243 0.616 1.00 14.50 H new ATOM 0 HA SER A 121 21.258 -4.027 1.974 1.00 15.43 H new ATOM 0 HB2 SER A 121 23.706 -4.093 0.184 1.00 72.14 H new ATOM 0 HB3 SER A 121 23.236 -2.828 1.303 1.00 72.14 H new ATOM 0 HG SER A 121 24.851 -4.246 2.208 1.00 63.50 H new ATOM 1832 N ASN A 122 20.309 -2.802 0.044 1.00 34.32 N ATOM 1833 CA ASN A 122 19.543 -2.162 -1.011 1.00 55.12 C ATOM 1834 C ASN A 122 18.399 -3.059 -1.470 1.00 10.41 C ATOM 1835 O ASN A 122 18.461 -3.715 -2.519 1.00 63.21 O ATOM 1836 CB ASN A 122 20.442 -1.665 -2.187 1.00 64.41 C ATOM 1837 CG ASN A 122 19.685 -0.947 -3.305 1.00 13.24 C ATOM 1838 OD1 ASN A 122 19.459 0.256 -3.241 1.00 63.14 O ATOM 1839 ND2 ASN A 122 19.352 -1.655 -4.355 1.00 42.51 N ATOM 0 H ASN A 122 20.211 -2.345 0.951 1.00 34.32 H new ATOM 0 HA ASN A 122 19.095 -1.260 -0.595 1.00 55.12 H new ATOM 0 HB2 ASN A 122 21.200 -0.991 -1.788 1.00 64.41 H new ATOM 0 HB3 ASN A 122 20.967 -2.520 -2.612 1.00 64.41 H new ATOM 0 HD21 ASN A 122 18.892 -1.207 -5.147 1.00 42.51 H new ATOM 0 HD22 ASN A 122 19.553 -2.655 -4.381 1.00 42.51 H new ATOM 1846 N ALA A 123 17.423 -3.199 -0.598 1.00 1.11 N ATOM 1847 CA ALA A 123 16.204 -3.907 -0.910 1.00 63.12 C ATOM 1848 C ALA A 123 15.039 -2.965 -0.644 1.00 1.34 C ATOM 1849 O ALA A 123 15.255 -1.847 -0.130 1.00 61.52 O ATOM 1850 CB ALA A 123 16.100 -5.178 -0.076 1.00 43.14 C ATOM 0 H ALA A 123 17.455 -2.823 0.350 1.00 1.11 H new ATOM 0 HA ALA A 123 16.192 -4.214 -1.956 1.00 63.12 H new ATOM 0 HB1 ALA A 123 15.176 -5.700 -0.323 1.00 43.14 H new ATOM 0 HB2 ALA A 123 16.951 -5.825 -0.291 1.00 43.14 H new ATOM 0 HB3 ALA A 123 16.099 -4.919 0.983 1.00 43.14 H new ATOM 1856 N ARG A 124 13.833 -3.366 -0.985 1.00 2.24 N ATOM 1857 CA ARG A 124 12.694 -2.501 -0.786 1.00 53.42 C ATOM 1858 C ARG A 124 12.077 -2.769 0.578 1.00 11.04 C ATOM 1859 O ARG A 124 11.952 -3.923 0.977 1.00 4.00 O ATOM 1860 CB ARG A 124 11.637 -2.638 -1.908 1.00 52.34 C ATOM 1861 CG ARG A 124 11.091 -4.036 -2.100 1.00 64.53 C ATOM 1862 CD ARG A 124 9.855 -4.072 -2.989 1.00 70.43 C ATOM 1863 NE ARG A 124 10.063 -3.516 -4.331 1.00 64.51 N ATOM 1864 CZ ARG A 124 9.432 -3.941 -5.439 1.00 13.13 C ATOM 1865 NH1 ARG A 124 8.750 -5.102 -5.435 1.00 4.21 N ATOM 1866 NH2 ARG A 124 9.526 -3.230 -6.558 1.00 24.15 N ATOM 0 H ARG A 124 13.619 -4.274 -1.396 1.00 2.24 H new ATOM 0 HA ARG A 124 13.051 -1.472 -0.827 1.00 53.42 H new ATOM 0 HB2 ARG A 124 10.807 -1.966 -1.690 1.00 52.34 H new ATOM 0 HB3 ARG A 124 12.079 -2.304 -2.847 1.00 52.34 H new ATOM 0 HG2 ARG A 124 11.865 -4.666 -2.537 1.00 64.53 H new ATOM 0 HG3 ARG A 124 10.845 -4.462 -1.127 1.00 64.53 H new ATOM 0 HD2 ARG A 124 9.519 -5.105 -3.084 1.00 70.43 H new ATOM 0 HD3 ARG A 124 9.053 -3.520 -2.499 1.00 70.43 H new ATOM 0 HE ARG A 124 10.733 -2.754 -4.430 1.00 64.51 H new ATOM 0 HH11 ARG A 124 8.709 -5.667 -4.587 1.00 4.21 H new ATOM 0 HH12 ARG A 124 8.274 -5.417 -6.280 1.00 4.21 H new ATOM 0 HH21 ARG A 124 10.074 -2.370 -6.571 1.00 24.15 H new ATOM 0 HH22 ARG A 124 9.051 -3.545 -7.404 1.00 24.15 H new ATOM 1880 N PRO A 125 11.696 -1.704 1.322 1.00 45.22 N ATOM 1881 CA PRO A 125 11.106 -1.816 2.677 1.00 41.54 C ATOM 1882 C PRO A 125 9.933 -2.821 2.787 1.00 52.54 C ATOM 1883 O PRO A 125 9.645 -3.325 3.874 1.00 22.33 O ATOM 1884 CB PRO A 125 10.619 -0.403 2.958 1.00 42.32 C ATOM 1885 CG PRO A 125 11.536 0.473 2.185 1.00 4.14 C ATOM 1886 CD PRO A 125 11.857 -0.280 0.926 1.00 70.24 C ATOM 0 HA PRO A 125 11.839 -2.200 3.387 1.00 41.54 H new ATOM 0 HB2 PRO A 125 9.584 -0.271 2.641 1.00 42.32 H new ATOM 0 HB3 PRO A 125 10.658 -0.175 4.023 1.00 42.32 H new ATOM 0 HG2 PRO A 125 11.065 1.430 1.959 1.00 4.14 H new ATOM 0 HG3 PRO A 125 12.441 0.689 2.753 1.00 4.14 H new ATOM 0 HD2 PRO A 125 11.182 -0.010 0.114 1.00 70.24 H new ATOM 0 HD3 PRO A 125 12.870 -0.071 0.581 1.00 70.24 H new ATOM 1894 N VAL A 126 9.280 -3.120 1.668 1.00 52.03 N ATOM 1895 CA VAL A 126 8.191 -4.104 1.650 1.00 50.40 C ATOM 1896 C VAL A 126 8.707 -5.478 2.102 1.00 44.12 C ATOM 1897 O VAL A 126 8.045 -6.182 2.875 1.00 22.25 O ATOM 1898 CB VAL A 126 7.553 -4.244 0.242 1.00 53.15 C ATOM 1899 CG1 VAL A 126 6.459 -5.290 0.248 1.00 42.33 C ATOM 1900 CG2 VAL A 126 6.992 -2.926 -0.229 1.00 75.13 C ATOM 0 H VAL A 126 9.482 -2.699 0.761 1.00 52.03 H new ATOM 0 HA VAL A 126 7.427 -3.743 2.338 1.00 50.40 H new ATOM 0 HB VAL A 126 8.338 -4.558 -0.446 1.00 53.15 H new ATOM 0 HG11 VAL A 126 6.027 -5.370 -0.749 1.00 42.33 H new ATOM 0 HG12 VAL A 126 6.878 -6.253 0.541 1.00 42.33 H new ATOM 0 HG13 VAL A 126 5.683 -5.001 0.957 1.00 42.33 H new ATOM 0 HG21 VAL A 126 6.551 -3.051 -1.218 1.00 75.13 H new ATOM 0 HG22 VAL A 126 6.227 -2.586 0.469 1.00 75.13 H new ATOM 0 HG23 VAL A 126 7.792 -2.187 -0.279 1.00 75.13 H new ATOM 1910 N ASP A 127 9.914 -5.813 1.676 1.00 44.43 N ATOM 1911 CA ASP A 127 10.516 -7.104 2.007 1.00 53.11 C ATOM 1912 C ASP A 127 10.714 -7.206 3.507 1.00 64.25 C ATOM 1913 O ASP A 127 10.493 -8.254 4.111 1.00 44.42 O ATOM 1914 CB ASP A 127 11.876 -7.304 1.306 1.00 3.11 C ATOM 1915 CG ASP A 127 11.810 -7.262 -0.208 1.00 42.03 C ATOM 1916 OD1 ASP A 127 11.084 -8.074 -0.814 1.00 15.05 O ATOM 1917 OD2 ASP A 127 12.505 -6.437 -0.823 1.00 25.23 O ATOM 0 H ASP A 127 10.501 -5.211 1.099 1.00 44.43 H new ATOM 0 HA ASP A 127 9.836 -7.881 1.658 1.00 53.11 H new ATOM 0 HB2 ASP A 127 12.565 -6.533 1.649 1.00 3.11 H new ATOM 0 HB3 ASP A 127 12.292 -8.263 1.613 1.00 3.11 H new ATOM 1922 N ALA A 128 11.073 -6.083 4.106 1.00 65.21 N ATOM 1923 CA ALA A 128 11.344 -6.007 5.527 1.00 11.40 C ATOM 1924 C ALA A 128 10.079 -6.175 6.361 1.00 44.42 C ATOM 1925 O ALA A 128 10.093 -6.865 7.375 1.00 43.32 O ATOM 1926 CB ALA A 128 12.035 -4.699 5.874 1.00 20.24 C ATOM 0 H ALA A 128 11.184 -5.196 3.616 1.00 65.21 H new ATOM 0 HA ALA A 128 12.010 -6.835 5.771 1.00 11.40 H new ATOM 0 HB1 ALA A 128 12.229 -4.663 6.946 1.00 20.24 H new ATOM 0 HB2 ALA A 128 12.978 -4.631 5.332 1.00 20.24 H new ATOM 0 HB3 ALA A 128 11.394 -3.863 5.593 1.00 20.24 H new ATOM 1932 N LEU A 129 8.979 -5.577 5.934 1.00 20.21 N ATOM 1933 CA LEU A 129 7.740 -5.649 6.712 1.00 3.42 C ATOM 1934 C LEU A 129 7.193 -7.075 6.759 1.00 61.51 C ATOM 1935 O LEU A 129 6.688 -7.524 7.797 1.00 63.42 O ATOM 1936 CB LEU A 129 6.696 -4.609 6.233 1.00 2.12 C ATOM 1937 CG LEU A 129 6.167 -4.746 4.806 1.00 63.33 C ATOM 1938 CD1 LEU A 129 5.013 -5.732 4.736 1.00 10.24 C ATOM 1939 CD2 LEU A 129 5.777 -3.397 4.230 1.00 41.02 C ATOM 0 H LEU A 129 8.911 -5.043 5.068 1.00 20.21 H new ATOM 0 HA LEU A 129 7.976 -5.378 7.741 1.00 3.42 H new ATOM 0 HB2 LEU A 129 5.845 -4.649 6.913 1.00 2.12 H new ATOM 0 HB3 LEU A 129 7.138 -3.618 6.334 1.00 2.12 H new ATOM 0 HG LEU A 129 6.976 -5.144 4.193 1.00 63.33 H new ATOM 0 HD11 LEU A 129 4.660 -5.806 3.707 1.00 10.24 H new ATOM 0 HD12 LEU A 129 5.350 -6.711 5.076 1.00 10.24 H new ATOM 0 HD13 LEU A 129 4.200 -5.387 5.375 1.00 10.24 H new ATOM 0 HD21 LEU A 129 5.405 -3.529 3.214 1.00 41.02 H new ATOM 0 HD22 LEU A 129 4.998 -2.950 4.847 1.00 41.02 H new ATOM 0 HD23 LEU A 129 6.648 -2.742 4.215 1.00 41.02 H new ATOM 1951 N HIS A 130 7.359 -7.805 5.661 1.00 52.35 N ATOM 1952 CA HIS A 130 6.908 -9.194 5.582 1.00 4.43 C ATOM 1953 C HIS A 130 7.878 -10.090 6.357 1.00 0.50 C ATOM 1954 O HIS A 130 7.530 -11.191 6.788 1.00 13.51 O ATOM 1955 CB HIS A 130 6.812 -9.654 4.101 1.00 40.42 C ATOM 1956 CG HIS A 130 6.275 -11.064 3.908 1.00 32.43 C ATOM 1957 ND1 HIS A 130 7.026 -12.134 3.441 1.00 3.22 N ATOM 1958 CD2 HIS A 130 5.036 -11.557 4.138 1.00 50.53 C ATOM 1959 CE1 HIS A 130 6.233 -13.213 3.408 1.00 33.23 C ATOM 1960 NE2 HIS A 130 5.012 -12.921 3.823 1.00 3.12 N ATOM 0 H HIS A 130 7.803 -7.459 4.811 1.00 52.35 H new ATOM 0 HA HIS A 130 5.915 -9.271 6.025 1.00 4.43 H new ATOM 0 HB2 HIS A 130 6.171 -8.958 3.559 1.00 40.42 H new ATOM 0 HB3 HIS A 130 7.803 -9.592 3.650 1.00 40.42 H new ATOM 0 HD1 HIS A 130 8.009 -12.104 3.170 1.00 3.22 H new ATOM 0 HD2 HIS A 130 4.196 -10.987 4.507 1.00 50.53 H new ATOM 0 HE1 HIS A 130 6.550 -14.194 3.085 1.00 33.23 H new ATOM 1968 N ALA A 131 9.073 -9.595 6.558 1.00 74.02 N ATOM 1969 CA ALA A 131 10.121 -10.364 7.225 1.00 43.13 C ATOM 1970 C ALA A 131 10.246 -10.050 8.723 1.00 13.35 C ATOM 1971 O ALA A 131 11.133 -10.593 9.398 1.00 25.43 O ATOM 1972 CB ALA A 131 11.451 -10.152 6.526 1.00 64.20 C ATOM 0 H ALA A 131 9.356 -8.658 6.271 1.00 74.02 H new ATOM 0 HA ALA A 131 9.831 -11.412 7.155 1.00 43.13 H new ATOM 0 HB1 ALA A 131 12.224 -10.730 7.032 1.00 64.20 H new ATOM 0 HB2 ALA A 131 11.373 -10.479 5.489 1.00 64.20 H new ATOM 0 HB3 ALA A 131 11.712 -9.094 6.554 1.00 64.20 H new ATOM 1978 N HIS A 132 9.341 -9.206 9.242 1.00 75.43 N ATOM 1979 CA HIS A 132 9.344 -8.770 10.669 1.00 23.30 C ATOM 1980 C HIS A 132 10.604 -7.914 10.939 1.00 34.45 C ATOM 1981 O HIS A 132 11.254 -7.971 11.980 1.00 52.23 O ATOM 1982 CB HIS A 132 9.209 -9.985 11.647 1.00 62.43 C ATOM 1983 CG HIS A 132 9.082 -9.616 13.112 1.00 53.40 C ATOM 1984 ND1 HIS A 132 10.048 -9.883 14.055 1.00 1.04 N ATOM 1985 CD2 HIS A 132 8.078 -8.994 13.775 1.00 65.45 C ATOM 1986 CE1 HIS A 132 9.622 -9.427 15.231 1.00 75.45 C ATOM 1987 NE2 HIS A 132 8.423 -8.874 15.119 1.00 42.24 N ATOM 0 H HIS A 132 8.582 -8.800 8.694 1.00 75.43 H new ATOM 0 HA HIS A 132 8.468 -8.149 10.858 1.00 23.30 H new ATOM 0 HB2 HIS A 132 8.336 -10.570 11.358 1.00 62.43 H new ATOM 0 HB3 HIS A 132 10.079 -10.630 11.524 1.00 62.43 H new ATOM 0 HD2 HIS A 132 7.156 -8.646 13.332 1.00 65.45 H new ATOM 0 HE1 HIS A 132 10.179 -9.498 16.153 1.00 75.45 H new ATOM 0 HE2 HIS A 132 7.868 -8.449 15.862 1.00 42.24 H new ATOM 1995 N GLN A 133 10.918 -7.121 9.969 1.00 54.32 N ATOM 1996 CA GLN A 133 12.012 -6.175 10.013 1.00 72.03 C ATOM 1997 C GLN A 133 11.405 -4.791 9.806 1.00 24.34 C ATOM 1998 O GLN A 133 12.063 -3.827 9.410 1.00 31.32 O ATOM 1999 CB GLN A 133 13.056 -6.557 8.956 1.00 71.31 C ATOM 2000 CG GLN A 133 13.625 -7.954 9.205 1.00 62.32 C ATOM 2001 CD GLN A 133 14.489 -8.494 8.093 1.00 13.15 C ATOM 2002 OE1 GLN A 133 15.174 -7.759 7.377 1.00 53.32 O ATOM 2003 NE2 GLN A 133 14.471 -9.792 7.938 1.00 73.50 N ATOM 0 H GLN A 133 10.408 -7.104 9.086 1.00 54.32 H new ATOM 0 HA GLN A 133 12.540 -6.180 10.967 1.00 72.03 H new ATOM 0 HB2 GLN A 133 12.602 -6.520 7.966 1.00 71.31 H new ATOM 0 HB3 GLN A 133 13.866 -5.827 8.963 1.00 71.31 H new ATOM 0 HG2 GLN A 133 14.211 -7.933 10.124 1.00 62.32 H new ATOM 0 HG3 GLN A 133 12.797 -8.644 9.370 1.00 62.32 H new ATOM 0 HE21 GLN A 133 13.893 -10.370 8.548 1.00 73.50 H new ATOM 0 HE22 GLN A 133 15.035 -10.226 7.207 1.00 73.50 H new ATOM 2012 N ALA A 134 10.117 -4.739 10.147 1.00 54.21 N ATOM 2013 CA ALA A 134 9.228 -3.592 10.021 1.00 63.32 C ATOM 2014 C ALA A 134 9.782 -2.341 10.690 1.00 11.04 C ATOM 2015 O ALA A 134 9.467 -1.240 10.268 1.00 25.23 O ATOM 2016 CB ALA A 134 7.854 -3.929 10.578 1.00 21.34 C ATOM 0 H ALA A 134 9.641 -5.549 10.543 1.00 54.21 H new ATOM 0 HA ALA A 134 9.144 -3.368 8.958 1.00 63.32 H new ATOM 0 HB1 ALA A 134 7.199 -3.064 10.478 1.00 21.34 H new ATOM 0 HB2 ALA A 134 7.433 -4.769 10.025 1.00 21.34 H new ATOM 0 HB3 ALA A 134 7.944 -4.196 11.631 1.00 21.34 H new ATOM 2022 N ARG A 135 10.603 -2.517 11.724 1.00 21.13 N ATOM 2023 CA ARG A 135 11.218 -1.392 12.444 1.00 60.21 C ATOM 2024 C ARG A 135 11.986 -0.487 11.486 1.00 72.24 C ATOM 2025 O ARG A 135 11.888 0.731 11.560 1.00 1.44 O ATOM 2026 CB ARG A 135 12.176 -1.903 13.502 1.00 33.54 C ATOM 2027 CG ARG A 135 11.509 -2.666 14.615 1.00 23.52 C ATOM 2028 CD ARG A 135 12.531 -3.248 15.551 1.00 25.01 C ATOM 2029 NE ARG A 135 13.337 -2.213 16.223 1.00 22.55 N ATOM 2030 CZ ARG A 135 14.663 -2.276 16.430 1.00 35.33 C ATOM 2031 NH1 ARG A 135 15.392 -3.218 15.840 1.00 4.03 N ATOM 2032 NH2 ARG A 135 15.263 -1.350 17.182 1.00 62.41 N ATOM 0 H ARG A 135 10.862 -3.434 12.088 1.00 21.13 H new ATOM 0 HA ARG A 135 10.416 -0.823 12.914 1.00 60.21 H new ATOM 0 HB2 ARG A 135 12.916 -2.547 13.027 1.00 33.54 H new ATOM 0 HB3 ARG A 135 12.716 -1.057 13.928 1.00 33.54 H new ATOM 0 HG2 ARG A 135 10.840 -2.004 15.166 1.00 23.52 H new ATOM 0 HG3 ARG A 135 10.895 -3.464 14.198 1.00 23.52 H new ATOM 0 HD2 ARG A 135 12.026 -3.855 16.302 1.00 25.01 H new ATOM 0 HD3 ARG A 135 13.191 -3.913 14.994 1.00 25.01 H new ATOM 0 HE ARG A 135 12.849 -1.382 16.558 1.00 22.55 H new ATOM 0 HH11 ARG A 135 14.945 -3.899 15.226 1.00 4.03 H new ATOM 0 HH12 ARG A 135 16.398 -3.260 16.002 1.00 4.03 H new ATOM 0 HH21 ARG A 135 14.715 -0.597 17.598 1.00 62.41 H new ATOM 0 HH22 ARG A 135 16.270 -1.396 17.341 1.00 62.41 H new ATOM 2046 N GLU A 136 12.684 -1.096 10.541 1.00 22.14 N ATOM 2047 CA GLU A 136 13.460 -0.368 9.548 1.00 21.12 C ATOM 2048 C GLU A 136 12.542 0.335 8.545 1.00 63.00 C ATOM 2049 O GLU A 136 12.886 1.383 7.989 1.00 42.44 O ATOM 2050 CB GLU A 136 14.398 -1.324 8.833 1.00 52.34 C ATOM 2051 CG GLU A 136 15.472 -1.907 9.734 1.00 65.12 C ATOM 2052 CD GLU A 136 16.478 -0.870 10.170 1.00 70.20 C ATOM 2053 OE1 GLU A 136 16.241 -0.138 11.154 1.00 2.24 O ATOM 2054 OE2 GLU A 136 17.546 -0.774 9.538 1.00 14.10 O ATOM 0 H GLU A 136 12.729 -2.110 10.440 1.00 22.14 H new ATOM 0 HA GLU A 136 14.048 0.397 10.055 1.00 21.12 H new ATOM 0 HB2 GLU A 136 13.815 -2.138 8.402 1.00 52.34 H new ATOM 0 HB3 GLU A 136 14.875 -0.801 8.004 1.00 52.34 H new ATOM 0 HG2 GLU A 136 15.005 -2.349 10.614 1.00 65.12 H new ATOM 0 HG3 GLU A 136 15.987 -2.711 9.209 1.00 65.12 H new ATOM 2061 N VAL A 137 11.369 -0.231 8.348 1.00 13.21 N ATOM 2062 CA VAL A 137 10.367 0.328 7.447 1.00 20.23 C ATOM 2063 C VAL A 137 9.777 1.562 8.096 1.00 15.24 C ATOM 2064 O VAL A 137 9.698 2.631 7.480 1.00 50.31 O ATOM 2065 CB VAL A 137 9.229 -0.689 7.174 1.00 63.53 C ATOM 2066 CG1 VAL A 137 8.218 -0.143 6.172 1.00 73.24 C ATOM 2067 CG2 VAL A 137 9.796 -2.004 6.701 1.00 50.45 C ATOM 0 H VAL A 137 11.077 -1.094 8.807 1.00 13.21 H new ATOM 0 HA VAL A 137 10.844 0.572 6.498 1.00 20.23 H new ATOM 0 HB VAL A 137 8.701 -0.857 8.113 1.00 63.53 H new ATOM 0 HG11 VAL A 137 7.435 -0.883 6.005 1.00 73.24 H new ATOM 0 HG12 VAL A 137 7.775 0.772 6.564 1.00 73.24 H new ATOM 0 HG13 VAL A 137 8.720 0.073 5.229 1.00 73.24 H new ATOM 0 HG21 VAL A 137 8.982 -2.705 6.515 1.00 50.45 H new ATOM 0 HG22 VAL A 137 10.358 -1.848 5.780 1.00 50.45 H new ATOM 0 HG23 VAL A 137 10.458 -2.411 7.466 1.00 50.45 H new ATOM 2077 N VAL A 138 9.397 1.405 9.357 1.00 12.42 N ATOM 2078 CA VAL A 138 8.862 2.484 10.162 1.00 14.24 C ATOM 2079 C VAL A 138 9.893 3.601 10.250 1.00 64.33 C ATOM 2080 O VAL A 138 9.559 4.758 10.143 1.00 51.31 O ATOM 2081 CB VAL A 138 8.444 2.008 11.585 1.00 71.23 C ATOM 2082 CG1 VAL A 138 7.889 3.167 12.402 1.00 34.35 C ATOM 2083 CG2 VAL A 138 7.407 0.896 11.495 1.00 72.25 C ATOM 0 H VAL A 138 9.454 0.514 9.851 1.00 12.42 H new ATOM 0 HA VAL A 138 7.957 2.852 9.679 1.00 14.24 H new ATOM 0 HB VAL A 138 9.333 1.623 12.084 1.00 71.23 H new ATOM 0 HG11 VAL A 138 7.604 2.811 13.392 1.00 34.35 H new ATOM 0 HG12 VAL A 138 8.651 3.940 12.500 1.00 34.35 H new ATOM 0 HG13 VAL A 138 7.015 3.581 11.899 1.00 34.35 H new ATOM 0 HG21 VAL A 138 7.128 0.577 12.499 1.00 72.25 H new ATOM 0 HG22 VAL A 138 6.524 1.263 10.972 1.00 72.25 H new ATOM 0 HG23 VAL A 138 7.826 0.051 10.949 1.00 72.25 H new ATOM 2093 N ARG A 139 11.140 3.218 10.424 1.00 70.11 N ATOM 2094 CA ARG A 139 12.267 4.139 10.471 1.00 73.04 C ATOM 2095 C ARG A 139 12.349 4.992 9.182 1.00 33.33 C ATOM 2096 O ARG A 139 12.510 6.219 9.252 1.00 1.21 O ATOM 2097 CB ARG A 139 13.538 3.330 10.682 1.00 52.15 C ATOM 2098 CG ARG A 139 14.828 4.106 10.676 1.00 10.43 C ATOM 2099 CD ARG A 139 15.969 3.171 10.989 1.00 3.12 C ATOM 2100 NE ARG A 139 17.265 3.828 10.966 1.00 42.50 N ATOM 2101 CZ ARG A 139 18.428 3.181 10.906 1.00 10.33 C ATOM 2102 NH1 ARG A 139 18.455 1.842 10.882 1.00 13.00 N ATOM 2103 NH2 ARG A 139 19.563 3.865 10.883 1.00 24.52 N ATOM 0 H ARG A 139 11.409 2.241 10.539 1.00 70.11 H new ATOM 0 HA ARG A 139 12.137 4.837 11.298 1.00 73.04 H new ATOM 0 HB2 ARG A 139 13.457 2.807 11.635 1.00 52.15 H new ATOM 0 HB3 ARG A 139 13.593 2.568 9.904 1.00 52.15 H new ATOM 0 HG2 ARG A 139 14.981 4.573 9.703 1.00 10.43 H new ATOM 0 HG3 ARG A 139 14.787 4.909 11.412 1.00 10.43 H new ATOM 0 HD2 ARG A 139 15.810 2.729 11.972 1.00 3.12 H new ATOM 0 HD3 ARG A 139 15.970 2.353 10.268 1.00 3.12 H new ATOM 0 HE ARG A 139 17.285 4.847 10.998 1.00 42.50 H new ATOM 0 HH11 ARG A 139 17.583 1.314 10.910 1.00 13.00 H new ATOM 0 HH12 ARG A 139 19.348 1.351 10.836 1.00 13.00 H new ATOM 0 HH21 ARG A 139 19.545 4.884 10.911 1.00 24.52 H new ATOM 0 HH22 ARG A 139 20.455 3.372 10.837 1.00 24.52 H new ATOM 2117 N ARG A 140 12.210 4.354 8.015 1.00 11.33 N ATOM 2118 CA ARG A 140 12.202 5.096 6.755 1.00 5.32 C ATOM 2119 C ARG A 140 10.966 5.989 6.691 1.00 52.33 C ATOM 2120 O ARG A 140 11.042 7.134 6.253 1.00 11.01 O ATOM 2121 CB ARG A 140 12.291 4.164 5.516 1.00 34.14 C ATOM 2122 CG ARG A 140 12.213 4.894 4.152 1.00 50.52 C ATOM 2123 CD ARG A 140 13.328 5.941 3.967 1.00 71.03 C ATOM 2124 NE ARG A 140 14.670 5.348 3.848 1.00 61.34 N ATOM 2125 CZ ARG A 140 15.649 5.420 4.764 1.00 73.45 C ATOM 2126 NH1 ARG A 140 15.443 6.034 5.927 1.00 31.53 N ATOM 2127 NH2 ARG A 140 16.837 4.897 4.495 1.00 54.34 N ATOM 0 H ARG A 140 12.103 3.344 7.919 1.00 11.33 H new ATOM 0 HA ARG A 140 13.095 5.720 6.729 1.00 5.32 H new ATOM 0 HB2 ARG A 140 13.228 3.608 5.563 1.00 34.14 H new ATOM 0 HB3 ARG A 140 11.484 3.433 5.569 1.00 34.14 H new ATOM 0 HG2 ARG A 140 12.274 4.160 3.349 1.00 50.52 H new ATOM 0 HG3 ARG A 140 11.243 5.384 4.063 1.00 50.52 H new ATOM 0 HD2 ARG A 140 13.119 6.531 3.075 1.00 71.03 H new ATOM 0 HD3 ARG A 140 13.316 6.628 4.813 1.00 71.03 H new ATOM 0 HE ARG A 140 14.875 4.835 2.991 1.00 61.34 H new ATOM 0 HH11 ARG A 140 14.536 6.454 6.128 1.00 31.53 H new ATOM 0 HH12 ARG A 140 16.192 6.084 6.617 1.00 31.53 H new ATOM 0 HH21 ARG A 140 17.003 4.443 3.597 1.00 54.34 H new ATOM 0 HH22 ARG A 140 17.585 4.948 5.186 1.00 54.34 H new ATOM 2141 N ALA A 141 9.850 5.468 7.168 1.00 35.51 N ATOM 2142 CA ALA A 141 8.598 6.208 7.214 1.00 43.25 C ATOM 2143 C ALA A 141 8.751 7.475 8.076 1.00 0.34 C ATOM 2144 O ALA A 141 8.326 8.560 7.676 1.00 13.52 O ATOM 2145 CB ALA A 141 7.496 5.330 7.771 1.00 24.03 C ATOM 0 H ALA A 141 9.784 4.519 7.535 1.00 35.51 H new ATOM 0 HA ALA A 141 8.335 6.508 6.200 1.00 43.25 H new ATOM 0 HB1 ALA A 141 6.563 5.893 7.802 1.00 24.03 H new ATOM 0 HB2 ALA A 141 7.371 4.455 7.134 1.00 24.03 H new ATOM 0 HB3 ALA A 141 7.760 5.010 8.779 1.00 24.03 H new ATOM 2151 N GLN A 142 9.388 7.319 9.244 1.00 42.52 N ATOM 2152 CA GLN A 142 9.666 8.428 10.167 1.00 22.50 C ATOM 2153 C GLN A 142 10.472 9.496 9.465 1.00 10.13 C ATOM 2154 O GLN A 142 10.163 10.681 9.555 1.00 4.25 O ATOM 2155 CB GLN A 142 10.482 7.961 11.388 1.00 54.53 C ATOM 2156 CG GLN A 142 9.817 6.939 12.295 1.00 53.44 C ATOM 2157 CD GLN A 142 8.538 7.434 12.928 1.00 72.43 C ATOM 2158 OE1 GLN A 142 7.664 6.529 13.248 1.00 64.12 O flip ATOM 2159 NE2 GLN A 142 8.360 8.622 13.162 1.00 2.12 N flip ATOM 0 H GLN A 142 9.727 6.416 9.577 1.00 42.52 H new ATOM 0 HA GLN A 142 8.702 8.815 10.498 1.00 22.50 H new ATOM 0 HB2 GLN A 142 11.421 7.540 11.030 1.00 54.53 H new ATOM 0 HB3 GLN A 142 10.733 8.837 11.986 1.00 54.53 H new ATOM 0 HG2 GLN A 142 9.603 6.039 11.719 1.00 53.44 H new ATOM 0 HG3 GLN A 142 10.516 6.655 13.082 1.00 53.44 H new ATOM 0 HE21 GLN A 142 9.069 9.306 12.896 1.00 2.12 H new ATOM 0 HE22 GLN A 142 7.503 8.928 13.623 1.00 2.12 H new ATOM 2168 N ALA A 143 11.503 9.062 8.762 1.00 33.00 N ATOM 2169 CA ALA A 143 12.401 9.953 8.042 1.00 61.51 C ATOM 2170 C ALA A 143 11.665 10.737 6.963 1.00 64.25 C ATOM 2171 O ALA A 143 11.944 11.913 6.734 1.00 42.31 O ATOM 2172 CB ALA A 143 13.546 9.155 7.433 1.00 42.34 C ATOM 0 H ALA A 143 11.744 8.075 8.673 1.00 33.00 H new ATOM 0 HA ALA A 143 12.805 10.674 8.753 1.00 61.51 H new ATOM 0 HB1 ALA A 143 14.214 9.829 6.896 1.00 42.34 H new ATOM 0 HB2 ALA A 143 14.100 8.651 8.225 1.00 42.34 H new ATOM 0 HB3 ALA A 143 13.145 8.414 6.742 1.00 42.34 H new ATOM 2178 N MET A 144 10.712 10.093 6.319 1.00 42.33 N ATOM 2179 CA MET A 144 9.969 10.732 5.247 1.00 61.13 C ATOM 2180 C MET A 144 8.902 11.674 5.794 1.00 74.12 C ATOM 2181 O MET A 144 8.664 12.743 5.239 1.00 63.54 O ATOM 2182 CB MET A 144 9.315 9.697 4.310 1.00 33.41 C ATOM 2183 CG MET A 144 10.280 8.693 3.685 1.00 40.43 C ATOM 2184 SD MET A 144 11.651 9.457 2.781 1.00 2.45 S ATOM 2185 CE MET A 144 10.779 10.315 1.471 1.00 53.14 C ATOM 0 H MET A 144 10.433 9.132 6.517 1.00 42.33 H new ATOM 0 HA MET A 144 10.690 11.313 4.671 1.00 61.13 H new ATOM 0 HB2 MET A 144 8.557 9.150 4.870 1.00 33.41 H new ATOM 0 HB3 MET A 144 8.799 10.228 3.510 1.00 33.41 H new ATOM 0 HG2 MET A 144 10.686 8.057 4.471 1.00 40.43 H new ATOM 0 HG3 MET A 144 9.726 8.046 3.005 1.00 40.43 H new ATOM 0 HE1 MET A 144 11.497 10.697 0.745 1.00 53.14 H new ATOM 0 HE2 MET A 144 10.095 9.625 0.976 1.00 53.14 H new ATOM 0 HE3 MET A 144 10.214 11.146 1.894 1.00 53.14 H new ATOM 2195 N ALA A 145 8.275 11.293 6.879 1.00 54.31 N ATOM 2196 CA ALA A 145 7.182 12.078 7.428 1.00 23.02 C ATOM 2197 C ALA A 145 7.664 13.251 8.273 1.00 30.25 C ATOM 2198 O ALA A 145 7.139 14.362 8.160 1.00 4.42 O ATOM 2199 CB ALA A 145 6.232 11.198 8.221 1.00 63.54 C ATOM 0 H ALA A 145 8.497 10.447 7.403 1.00 54.31 H new ATOM 0 HA ALA A 145 6.645 12.503 6.580 1.00 23.02 H new ATOM 0 HB1 ALA A 145 5.422 11.807 8.623 1.00 63.54 H new ATOM 0 HB2 ALA A 145 5.819 10.428 7.569 1.00 63.54 H new ATOM 0 HB3 ALA A 145 6.772 10.726 9.042 1.00 63.54 H new ATOM 2205 N TYR A 146 8.655 13.027 9.096 1.00 61.51 N ATOM 2206 CA TYR A 146 9.113 14.067 9.979 1.00 54.51 C ATOM 2207 C TYR A 146 10.507 14.493 9.582 1.00 11.11 C ATOM 2208 O TYR A 146 10.632 15.366 8.704 1.00 38.92 O ATOM 2209 CB TYR A 146 9.090 13.595 11.439 1.00 31.21 C ATOM 2210 CG TYR A 146 7.764 13.018 11.888 1.00 72.22 C ATOM 2211 CD1 TYR A 146 6.686 13.837 12.207 1.00 55.32 C ATOM 2212 CD2 TYR A 146 7.602 11.648 12.009 1.00 3.45 C ATOM 2213 CE1 TYR A 146 5.486 13.298 12.638 1.00 43.14 C ATOM 2214 CE2 TYR A 146 6.409 11.104 12.430 1.00 35.41 C ATOM 2215 CZ TYR A 146 5.356 11.927 12.746 1.00 14.13 C ATOM 2216 OH TYR A 146 4.174 11.370 13.195 1.00 62.33 O ATOM 2217 OXT TYR A 146 11.499 13.945 10.120 1.00 38.92 O ATOM 0 H TYR A 146 9.156 12.142 9.173 1.00 61.51 H new ATOM 0 HA TYR A 146 8.441 14.921 9.893 1.00 54.51 H new ATOM 0 HB2 TYR A 146 9.866 12.842 11.577 1.00 31.21 H new ATOM 0 HB3 TYR A 146 9.344 14.436 12.084 1.00 31.21 H new ATOM 0 HD1 TYR A 146 6.787 14.909 12.117 1.00 55.32 H new ATOM 0 HD2 TYR A 146 8.427 10.994 11.769 1.00 3.45 H new ATOM 0 HE1 TYR A 146 4.658 13.944 12.888 1.00 43.14 H new ATOM 0 HE2 TYR A 146 6.302 10.032 12.511 1.00 35.41 H new ATOM 0 HH TYR A 146 3.434 11.988 13.021 1.00 62.33 H new