USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 425 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 70 GLN : amide:sc= -0.0282 K(o=-5.5,f=-6.6!) USER MOD Set 1.2: A 73 ASN : amide:sc= -5.48 K(o=-5.5,f=-11!) USER MOD Set 2.1: A 37 CYS SG : rot 97:sc= 0.581 USER MOD Set 2.2: A 39 HIS : no HD1:sc= -0.983 K(o=1,f=0.19) USER MOD Set 2.3: A 62 CYS SG : rot 146:sc= 1.34 USER MOD Set 2.4: A 65 CYS SG : rot -41:sc= 0.116 USER MOD Set 3.1: A 22 CYS SG : rot 97:sc= 0.68 USER MOD Set 3.2: A 25 CYS SG : rot -59:sc= -1.17 USER MOD Set 3.3: A 42 CYS SG : rot 87:sc= 0.865 USER MOD Set 3.4: A 45 CYS SG : rot 122:sc= -1.15 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.011 K(o=-0.011,f=-1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.616 K(o=-0.62,f=-2.1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -150:sc= -1.31 (180deg=-3.14!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 29:sc= 0.977 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -4.988 -7.975 -27.538 1.00 0.00 N ATOM 233 CA GLU A 19 -6.168 -7.415 -28.186 1.00 0.00 C ATOM 234 C GLU A 19 -6.646 -6.162 -27.458 1.00 0.00 C ATOM 235 O GLU A 19 -7.002 -5.163 -28.085 1.00 0.00 O ATOM 236 CB GLU A 19 -7.293 -8.451 -28.232 1.00 0.00 C ATOM 237 CG GLU A 19 -7.699 -8.970 -26.863 1.00 0.00 C ATOM 238 CD GLU A 19 -8.953 -9.821 -26.910 1.00 0.00 C ATOM 239 OE1 GLU A 19 -9.237 -10.401 -27.979 1.00 0.00 O ATOM 240 OE2 GLU A 19 -9.649 -9.908 -25.877 1.00 0.00 O ATOM 0 HA GLU A 19 -5.895 -7.141 -29.205 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.163 -8.008 -28.716 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.977 -9.291 -28.851 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.882 -9.557 -26.444 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.862 -8.126 -26.192 1.00 0.00 H new ATOM 247 N VAL A 20 -6.653 -6.222 -26.130 1.00 0.00 N ATOM 248 CA VAL A 20 -7.086 -5.094 -25.315 1.00 0.00 C ATOM 249 C VAL A 20 -6.036 -4.735 -24.270 1.00 0.00 C ATOM 250 O VAL A 20 -5.782 -5.501 -23.340 1.00 0.00 O ATOM 251 CB VAL A 20 -8.420 -5.394 -24.605 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.883 -4.185 -23.807 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.477 -5.814 -25.615 1.00 0.00 C ATOM 0 H VAL A 20 -6.363 -7.041 -25.596 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.224 -4.250 -25.991 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.266 -6.220 -23.911 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.827 -4.415 -23.312 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.132 -3.934 -23.058 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.023 -3.338 -24.478 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.413 -6.022 -25.097 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.632 -5.010 -26.335 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.145 -6.711 -26.138 1.00 0.00 H new ATOM 263 N THR A 21 -5.427 -3.564 -24.428 1.00 0.00 N ATOM 264 CA THR A 21 -4.404 -3.103 -23.499 1.00 0.00 C ATOM 265 C THR A 21 -4.846 -1.833 -22.779 1.00 0.00 C ATOM 266 O THR A 21 -5.698 -1.094 -23.271 1.00 0.00 O ATOM 267 CB THR A 21 -3.070 -2.832 -24.221 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.734 -3.942 -25.061 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.951 -2.591 -23.219 1.00 0.00 C ATOM 0 H THR A 21 -5.625 -2.917 -25.192 1.00 0.00 H new ATOM 0 HA THR A 21 -4.259 -3.899 -22.769 1.00 0.00 H new ATOM 0 HB THR A 21 -3.188 -1.937 -24.832 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.886 -3.762 -25.518 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.019 -2.402 -23.752 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.196 -1.728 -22.600 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.834 -3.470 -22.585 1.00 0.00 H new ATOM 277 N CYS A 22 -4.260 -1.586 -21.613 1.00 0.00 N ATOM 278 CA CYS A 22 -4.593 -0.406 -20.824 1.00 0.00 C ATOM 279 C CYS A 22 -3.774 0.800 -21.278 1.00 0.00 C ATOM 280 O CYS A 22 -2.544 0.769 -21.309 1.00 0.00 O ATOM 281 CB CYS A 22 -4.348 -0.673 -19.338 1.00 0.00 C ATOM 282 SG CYS A 22 -4.794 0.717 -18.249 1.00 0.00 S ATOM 0 H CYS A 22 -3.551 -2.188 -21.193 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.649 -0.184 -20.976 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.919 -1.552 -19.039 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.295 -0.912 -19.192 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.986 0.525 -17.766 1.00 0.00 H new ATOM 287 N PRO A 23 -4.472 1.887 -21.637 1.00 0.00 N ATOM 288 CA PRO A 23 -3.830 3.124 -22.095 1.00 0.00 C ATOM 289 C PRO A 23 -3.096 3.846 -20.970 1.00 0.00 C ATOM 290 O PRO A 23 -2.515 4.911 -21.180 1.00 0.00 O ATOM 291 CB PRO A 23 -5.004 3.968 -22.596 1.00 0.00 C ATOM 292 CG PRO A 23 -6.184 3.462 -21.840 1.00 0.00 C ATOM 293 CD PRO A 23 -5.940 1.994 -21.625 1.00 0.00 C ATOM 0 HA PRO A 23 -3.071 2.933 -22.853 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.838 5.029 -22.407 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.144 3.853 -23.671 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.291 3.983 -20.889 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.105 3.627 -22.399 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.360 1.651 -20.680 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.393 1.392 -22.412 1.00 0.00 H new ATOM 301 N ILE A 24 -3.127 3.260 -19.778 1.00 0.00 N ATOM 302 CA ILE A 24 -2.463 3.848 -18.621 1.00 0.00 C ATOM 303 C ILE A 24 -1.204 3.069 -18.255 1.00 0.00 C ATOM 304 O ILE A 24 -0.087 3.562 -18.415 1.00 0.00 O ATOM 305 CB ILE A 24 -3.398 3.895 -17.398 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.444 4.998 -17.571 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.595 4.113 -16.125 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.740 4.721 -16.841 1.00 0.00 C ATOM 0 H ILE A 24 -3.605 2.379 -19.588 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.190 4.866 -18.898 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.916 2.939 -17.318 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.029 5.940 -17.213 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.654 5.125 -18.633 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.270 4.144 -15.270 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.885 3.295 -15.998 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.053 5.056 -16.194 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.435 5.544 -17.008 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.178 3.795 -17.215 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.543 4.624 -15.773 1.00 0.00 H new ATOM 320 N CYS A 25 -1.393 1.849 -17.764 1.00 0.00 N ATOM 321 CA CYS A 25 -0.273 0.999 -17.376 1.00 0.00 C ATOM 322 C CYS A 25 0.309 0.279 -18.588 1.00 0.00 C ATOM 323 O CYS A 25 1.345 -0.380 -18.495 1.00 0.00 O ATOM 324 CB CYS A 25 -0.720 -0.022 -16.328 1.00 0.00 C ATOM 325 SG CYS A 25 -2.078 -1.105 -16.878 1.00 0.00 S ATOM 0 H CYS A 25 -2.311 1.427 -17.625 1.00 0.00 H new ATOM 0 HA CYS A 25 0.502 1.635 -16.947 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.134 -0.640 -16.051 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.034 0.509 -15.429 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.112 -0.381 -17.189 1.00 0.00 H new ATOM 330 N LEU A 26 -0.364 0.409 -19.726 1.00 0.00 N ATOM 331 CA LEU A 26 0.086 -0.229 -20.958 1.00 0.00 C ATOM 332 C LEU A 26 0.220 -1.737 -20.774 1.00 0.00 C ATOM 333 O LEU A 26 1.123 -2.361 -21.330 1.00 0.00 O ATOM 334 CB LEU A 26 1.424 0.363 -21.403 1.00 0.00 C ATOM 335 CG LEU A 26 1.451 1.878 -21.615 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.716 2.292 -22.351 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.215 2.332 -22.378 1.00 0.00 C ATOM 0 H LEU A 26 -1.223 0.950 -19.821 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.662 -0.041 -21.729 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.177 0.107 -20.658 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.720 -0.119 -22.335 1.00 0.00 H new ATOM 0 HG LEU A 26 1.449 2.362 -20.638 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.717 3.373 -22.493 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.589 2.002 -21.766 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.750 1.799 -23.322 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.251 3.412 -22.520 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.186 1.839 -23.350 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.679 2.070 -21.812 1.00 0.00 H new ATOM 349 N GLU A 27 -0.684 -2.315 -19.989 1.00 0.00 N ATOM 350 CA GLU A 27 -0.666 -3.750 -19.733 1.00 0.00 C ATOM 351 C GLU A 27 -1.919 -4.419 -20.291 1.00 0.00 C ATOM 352 O GLU A 27 -2.888 -3.747 -20.650 1.00 0.00 O ATOM 353 CB GLU A 27 -0.557 -4.021 -18.231 1.00 0.00 C ATOM 354 CG GLU A 27 0.606 -3.304 -17.566 1.00 0.00 C ATOM 355 CD GLU A 27 1.021 -3.952 -16.259 1.00 0.00 C ATOM 356 OE1 GLU A 27 0.446 -3.590 -15.211 1.00 0.00 O ATOM 357 OE2 GLU A 27 1.919 -4.818 -16.284 1.00 0.00 O ATOM 0 H GLU A 27 -1.437 -1.812 -19.520 1.00 0.00 H new ATOM 0 HA GLU A 27 0.204 -4.171 -20.236 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.485 -3.717 -17.747 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.451 -5.094 -18.071 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.457 -3.291 -18.247 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.330 -2.266 -17.381 1.00 0.00 H new ATOM 364 N LEU A 28 -1.893 -5.745 -20.363 1.00 0.00 N ATOM 365 CA LEU A 28 -3.026 -6.506 -20.878 1.00 0.00 C ATOM 366 C LEU A 28 -4.269 -6.278 -20.023 1.00 0.00 C ATOM 367 O LEU A 28 -4.411 -6.863 -18.948 1.00 0.00 O ATOM 368 CB LEU A 28 -2.688 -7.997 -20.921 1.00 0.00 C ATOM 369 CG LEU A 28 -3.872 -8.949 -21.092 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.773 -8.482 -22.225 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.382 -10.367 -21.348 1.00 0.00 C ATOM 0 H LEU A 28 -1.100 -6.316 -20.071 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.235 -6.159 -21.890 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.989 -8.167 -21.740 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.168 -8.258 -19.999 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.452 -8.947 -20.169 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.610 -9.172 -22.332 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.151 -7.484 -22.002 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.204 -8.455 -23.154 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.238 -11.032 -21.467 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.779 -10.385 -22.256 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.778 -10.701 -20.504 1.00 0.00 H new ATOM 383 N LEU A 29 -5.167 -5.428 -20.508 1.00 0.00 N ATOM 384 CA LEU A 29 -6.400 -5.125 -19.790 1.00 0.00 C ATOM 385 C LEU A 29 -7.184 -6.399 -19.492 1.00 0.00 C ATOM 386 O LEU A 29 -8.056 -6.800 -20.265 1.00 0.00 O ATOM 387 CB LEU A 29 -7.263 -4.160 -20.603 1.00 0.00 C ATOM 388 CG LEU A 29 -7.113 -2.676 -20.263 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.951 -1.826 -21.205 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.507 -2.418 -18.816 1.00 0.00 C ATOM 0 H LEU A 29 -5.064 -4.936 -21.396 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.134 -4.655 -18.843 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.029 -4.296 -21.659 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.308 -4.439 -20.470 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.067 -2.398 -20.389 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.832 -0.773 -20.948 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.622 -1.989 -22.231 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.000 -2.106 -21.111 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.394 -1.357 -18.592 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.545 -2.713 -18.664 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.864 -2.999 -18.155 1.00 0.00 H new ATOM 402 N THR A 30 -6.870 -7.032 -18.366 1.00 0.00 N ATOM 403 CA THR A 30 -7.545 -8.260 -17.966 1.00 0.00 C ATOM 404 C THR A 30 -9.018 -8.005 -17.668 1.00 0.00 C ATOM 405 O THR A 30 -9.895 -8.434 -18.417 1.00 0.00 O ATOM 406 CB THR A 30 -6.883 -8.886 -16.724 1.00 0.00 C ATOM 407 OG1 THR A 30 -5.457 -8.834 -16.851 1.00 0.00 O ATOM 408 CG2 THR A 30 -7.328 -10.330 -16.543 1.00 0.00 C ATOM 0 H THR A 30 -6.152 -6.714 -17.715 1.00 0.00 H new ATOM 0 HA THR A 30 -7.461 -8.954 -18.802 1.00 0.00 H new ATOM 0 HB THR A 30 -7.191 -8.315 -15.848 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.043 -9.232 -16.057 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.847 -10.751 -15.660 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.410 -10.364 -16.418 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.045 -10.911 -17.421 1.00 0.00 H new ATOM 416 N GLN A 31 -9.282 -7.305 -16.569 1.00 0.00 N ATOM 417 CA GLN A 31 -10.651 -6.993 -16.173 1.00 0.00 C ATOM 418 C GLN A 31 -10.923 -5.497 -16.288 1.00 0.00 C ATOM 419 O GLN A 31 -11.177 -4.810 -15.298 1.00 0.00 O ATOM 420 CB GLN A 31 -10.909 -7.462 -14.740 1.00 0.00 C ATOM 421 CG GLN A 31 -11.445 -8.882 -14.652 1.00 0.00 C ATOM 422 CD GLN A 31 -11.438 -9.422 -13.236 1.00 0.00 C ATOM 423 OE1 GLN A 31 -10.579 -9.066 -12.428 1.00 0.00 O ATOM 424 NE2 GLN A 31 -12.398 -10.285 -12.926 1.00 0.00 N ATOM 0 H GLN A 31 -8.567 -6.944 -15.938 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.327 -7.519 -16.847 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.981 -7.397 -14.173 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.620 -6.784 -14.267 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.463 -8.907 -15.041 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.845 -9.533 -15.288 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.089 -10.552 -13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.444 -10.681 -11.987 1.00 0.00 H new ATOM 433 N PRO A 32 -10.870 -4.978 -17.524 1.00 0.00 N ATOM 434 CA PRO A 32 -11.109 -3.558 -17.797 1.00 0.00 C ATOM 435 C PRO A 32 -12.568 -3.165 -17.588 1.00 0.00 C ATOM 436 O PRO A 32 -13.448 -4.023 -17.515 1.00 0.00 O ATOM 437 CB PRO A 32 -10.721 -3.410 -19.270 1.00 0.00 C ATOM 438 CG PRO A 32 -10.909 -4.770 -19.850 1.00 0.00 C ATOM 439 CD PRO A 32 -10.574 -5.739 -18.749 1.00 0.00 C ATOM 0 HA PRO A 32 -10.542 -2.913 -17.126 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.349 -2.675 -19.773 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.690 -3.074 -19.376 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.934 -4.909 -20.194 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.260 -4.920 -20.713 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.176 -6.645 -18.814 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.529 -6.047 -18.788 1.00 0.00 H new ATOM 447 N LEU A 33 -12.817 -1.863 -17.494 1.00 0.00 N ATOM 448 CA LEU A 33 -14.170 -1.356 -17.294 1.00 0.00 C ATOM 449 C LEU A 33 -14.712 -0.731 -18.576 1.00 0.00 C ATOM 450 O LEU A 33 -14.018 -0.671 -19.591 1.00 0.00 O ATOM 451 CB LEU A 33 -14.188 -0.326 -16.164 1.00 0.00 C ATOM 452 CG LEU A 33 -13.569 -0.772 -14.839 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.517 0.388 -13.857 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.352 -1.937 -14.250 1.00 0.00 C ATOM 0 H LEU A 33 -12.100 -1.140 -17.553 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.810 -2.196 -17.022 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.663 0.567 -16.505 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.223 -0.037 -15.979 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.549 -1.105 -15.030 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.074 0.052 -12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.913 1.193 -14.276 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.527 0.752 -13.670 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.897 -2.241 -13.307 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.383 -1.630 -14.073 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.337 -2.775 -14.947 1.00 0.00 H new ATOM 466 N SER A 34 -15.955 -0.264 -18.521 1.00 0.00 N ATOM 467 CA SER A 34 -16.591 0.355 -19.678 1.00 0.00 C ATOM 468 C SER A 34 -17.037 1.778 -19.355 1.00 0.00 C ATOM 469 O SER A 34 -17.442 2.074 -18.231 1.00 0.00 O ATOM 470 CB SER A 34 -17.791 -0.477 -20.133 1.00 0.00 C ATOM 471 OG SER A 34 -18.439 0.126 -21.240 1.00 0.00 O ATOM 0 H SER A 34 -16.542 -0.302 -17.688 1.00 0.00 H new ATOM 0 HA SER A 34 -15.860 0.396 -20.485 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.461 -1.480 -20.403 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.496 -0.585 -19.309 1.00 0.00 H new ATOM 0 HG SER A 34 -19.202 -0.426 -21.513 1.00 0.00 H new ATOM 477 N LEU A 35 -16.960 2.655 -20.350 1.00 0.00 N ATOM 478 CA LEU A 35 -17.356 4.048 -20.174 1.00 0.00 C ATOM 479 C LEU A 35 -18.275 4.500 -21.305 1.00 0.00 C ATOM 480 O LEU A 35 -18.456 3.788 -22.293 1.00 0.00 O ATOM 481 CB LEU A 35 -16.120 4.947 -20.117 1.00 0.00 C ATOM 482 CG LEU A 35 -15.013 4.506 -19.159 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.756 5.333 -19.377 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.482 4.617 -17.715 1.00 0.00 C ATOM 0 H LEU A 35 -16.627 2.426 -21.287 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.901 4.129 -19.233 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.699 5.016 -21.120 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.438 5.951 -19.835 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.776 3.462 -19.365 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.980 5.004 -18.686 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.408 5.203 -20.402 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.978 6.385 -19.200 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.682 4.299 -17.047 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.747 5.652 -17.497 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.354 3.980 -17.566 1.00 0.00 H new ATOM 496 N ASP A 36 -18.851 5.687 -21.153 1.00 0.00 N ATOM 497 CA ASP A 36 -19.749 6.236 -22.162 1.00 0.00 C ATOM 498 C ASP A 36 -18.977 7.065 -23.184 1.00 0.00 C ATOM 499 O ASP A 36 -19.489 8.051 -23.714 1.00 0.00 O ATOM 500 CB ASP A 36 -20.829 7.094 -21.502 1.00 0.00 C ATOM 501 CG ASP A 36 -22.106 7.147 -22.318 1.00 0.00 C ATOM 502 OD1 ASP A 36 -22.535 6.086 -22.818 1.00 0.00 O ATOM 503 OD2 ASP A 36 -22.677 8.249 -22.456 1.00 0.00 O ATOM 0 H ASP A 36 -18.712 6.288 -20.340 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.224 5.404 -22.681 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.050 6.696 -20.512 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.449 8.106 -21.361 1.00 0.00 H new ATOM 508 N CYS A 37 -17.741 6.659 -23.455 1.00 0.00 N ATOM 509 CA CYS A 37 -16.897 7.364 -24.412 1.00 0.00 C ATOM 510 C CYS A 37 -16.354 6.405 -25.468 1.00 0.00 C ATOM 511 O CYS A 37 -16.283 6.742 -26.649 1.00 0.00 O ATOM 512 CB CYS A 37 -15.737 8.053 -23.689 1.00 0.00 C ATOM 513 SG CYS A 37 -14.451 6.911 -23.089 1.00 0.00 S ATOM 0 H CYS A 37 -17.302 5.845 -23.025 1.00 0.00 H new ATOM 0 HA CYS A 37 -17.506 8.118 -24.910 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -15.280 8.775 -24.365 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -16.133 8.614 -22.843 1.00 0.00 H new ATOM 0 HG CYS A 37 -13.473 6.871 -23.944 1.00 0.00 H new ATOM 518 N GLY A 38 -15.972 5.208 -25.033 1.00 0.00 N ATOM 519 CA GLY A 38 -15.441 4.220 -25.953 1.00 0.00 C ATOM 520 C GLY A 38 -14.006 3.845 -25.636 1.00 0.00 C ATOM 521 O GLY A 38 -13.209 3.594 -26.540 1.00 0.00 O ATOM 0 H GLY A 38 -16.021 4.905 -24.060 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.063 3.326 -25.920 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.496 4.608 -26.970 1.00 0.00 H new ATOM 525 N HIS A 39 -13.676 3.808 -24.349 1.00 0.00 N ATOM 526 CA HIS A 39 -12.327 3.462 -23.916 1.00 0.00 C ATOM 527 C HIS A 39 -12.358 2.721 -22.583 1.00 0.00 C ATOM 528 O HIS A 39 -12.979 3.176 -21.622 1.00 0.00 O ATOM 529 CB HIS A 39 -11.469 4.721 -23.793 1.00 0.00 C ATOM 530 CG HIS A 39 -11.290 5.453 -25.087 1.00 0.00 C ATOM 531 ND1 HIS A 39 -11.769 6.728 -25.304 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.679 5.082 -26.236 1.00 0.00 C ATOM 533 CE1 HIS A 39 -11.461 7.109 -26.530 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.799 6.129 -27.118 1.00 0.00 N ATOM 0 H HIS A 39 -14.324 4.013 -23.588 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.888 2.805 -24.667 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.926 5.392 -23.066 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.489 4.446 -23.402 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.188 4.139 -26.425 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.708 8.061 -26.976 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.436 6.146 -28.071 1.00 0.00 H new ATOM 542 N SER A 40 -11.685 1.576 -22.531 1.00 0.00 N ATOM 543 CA SER A 40 -11.639 0.769 -21.317 1.00 0.00 C ATOM 544 C SER A 40 -10.410 1.114 -20.482 1.00 0.00 C ATOM 545 O SER A 40 -9.461 1.725 -20.975 1.00 0.00 O ATOM 546 CB SER A 40 -11.630 -0.720 -21.669 1.00 0.00 C ATOM 547 OG SER A 40 -12.301 -0.959 -22.894 1.00 0.00 O ATOM 0 H SER A 40 -11.164 1.186 -23.316 1.00 0.00 H new ATOM 0 HA SER A 40 -12.530 0.990 -20.729 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.601 -1.074 -21.739 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.109 -1.288 -20.872 1.00 0.00 H new ATOM 0 HG SER A 40 -12.280 -1.917 -23.097 1.00 0.00 H new ATOM 553 N PHE A 41 -10.434 0.717 -19.214 1.00 0.00 N ATOM 554 CA PHE A 41 -9.322 0.984 -18.308 1.00 0.00 C ATOM 555 C PHE A 41 -9.344 0.024 -17.123 1.00 0.00 C ATOM 556 O PHE A 41 -10.281 -0.758 -16.960 1.00 0.00 O ATOM 557 CB PHE A 41 -9.379 2.430 -17.809 1.00 0.00 C ATOM 558 CG PHE A 41 -9.385 3.446 -18.915 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.552 3.730 -19.607 1.00 0.00 C ATOM 560 CD2 PHE A 41 -8.224 4.118 -19.262 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.559 4.664 -20.625 1.00 0.00 C ATOM 562 CE2 PHE A 41 -8.226 5.053 -20.280 1.00 0.00 C ATOM 563 CZ PHE A 41 -9.395 5.328 -20.962 1.00 0.00 C ATOM 0 H PHE A 41 -11.211 0.209 -18.790 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.393 0.833 -18.858 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.274 2.561 -17.201 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.523 2.616 -17.160 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.466 3.216 -19.348 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.307 3.909 -18.731 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.475 4.875 -21.158 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.314 5.568 -20.542 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.399 6.060 -21.756 1.00 0.00 H new ATOM 573 N CYS A 42 -8.304 0.088 -16.298 1.00 0.00 N ATOM 574 CA CYS A 42 -8.201 -0.776 -15.128 1.00 0.00 C ATOM 575 C CYS A 42 -9.014 -0.214 -13.965 1.00 0.00 C ATOM 576 O CYS A 42 -8.941 0.976 -13.662 1.00 0.00 O ATOM 577 CB CYS A 42 -6.737 -0.934 -14.712 1.00 0.00 C ATOM 578 SG CYS A 42 -5.707 -1.807 -15.935 1.00 0.00 S ATOM 0 H CYS A 42 -7.520 0.730 -16.418 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.604 -1.754 -15.392 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.312 0.054 -14.534 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.695 -1.474 -13.766 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.242 -0.954 -16.799 1.00 0.00 H new ATOM 583 N GLN A 43 -9.786 -1.081 -13.317 1.00 0.00 N ATOM 584 CA GLN A 43 -10.612 -0.672 -12.188 1.00 0.00 C ATOM 585 C GLN A 43 -9.806 0.160 -11.196 1.00 0.00 C ATOM 586 O GLN A 43 -10.369 0.878 -10.371 1.00 0.00 O ATOM 587 CB GLN A 43 -11.198 -1.898 -11.486 1.00 0.00 C ATOM 588 CG GLN A 43 -11.976 -1.563 -10.224 1.00 0.00 C ATOM 589 CD GLN A 43 -13.088 -2.554 -9.944 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.190 -2.173 -9.546 1.00 0.00 O ATOM 591 NE2 GLN A 43 -12.806 -3.835 -10.151 1.00 0.00 N ATOM 0 H GLN A 43 -9.856 -2.070 -13.555 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.427 -0.058 -12.571 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.855 -2.424 -12.179 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.389 -2.583 -11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.292 -1.541 -9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.400 -0.563 -10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.880 -4.106 -10.481 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.516 -4.548 -9.980 1.00 0.00 H new ATOM 600 N ALA A 44 -8.483 0.057 -11.283 1.00 0.00 N ATOM 601 CA ALA A 44 -7.599 0.800 -10.394 1.00 0.00 C ATOM 602 C ALA A 44 -7.050 2.045 -11.082 1.00 0.00 C ATOM 603 O ALA A 44 -7.211 3.162 -10.588 1.00 0.00 O ATOM 604 CB ALA A 44 -6.459 -0.089 -9.919 1.00 0.00 C ATOM 0 H ALA A 44 -8.001 -0.534 -11.960 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.179 1.120 -9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.807 0.479 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.865 -0.946 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.887 -0.438 -10.779 1.00 0.00 H new ATOM 610 N CYS A 45 -6.401 1.847 -12.224 1.00 0.00 N ATOM 611 CA CYS A 45 -5.826 2.954 -12.980 1.00 0.00 C ATOM 612 C CYS A 45 -6.813 4.113 -13.082 1.00 0.00 C ATOM 613 O CYS A 45 -6.430 5.280 -12.983 1.00 0.00 O ATOM 614 CB CYS A 45 -5.424 2.487 -14.381 1.00 0.00 C ATOM 615 SG CYS A 45 -4.043 1.299 -14.401 1.00 0.00 S ATOM 0 H CYS A 45 -6.260 0.930 -12.647 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.938 3.301 -12.451 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.289 2.031 -14.862 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.150 3.357 -14.978 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.426 0.198 -14.977 1.00 0.00 H new ATOM 620 N LEU A 46 -8.085 3.784 -13.281 1.00 0.00 N ATOM 621 CA LEU A 46 -9.128 4.797 -13.396 1.00 0.00 C ATOM 622 C LEU A 46 -9.208 5.643 -12.129 1.00 0.00 C ATOM 623 O LEU A 46 -9.194 6.873 -12.189 1.00 0.00 O ATOM 624 CB LEU A 46 -10.481 4.136 -13.667 1.00 0.00 C ATOM 625 CG LEU A 46 -10.897 4.037 -15.135 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.924 2.932 -15.326 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.447 5.369 -15.625 1.00 0.00 C ATOM 0 H LEU A 46 -8.419 2.824 -13.366 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.875 5.450 -14.232 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.462 3.130 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.249 4.692 -13.129 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.015 3.791 -15.726 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.208 2.877 -16.377 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.495 1.979 -15.015 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.806 3.147 -14.723 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.738 5.280 -16.672 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.317 5.645 -15.029 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.681 6.138 -15.526 1.00 0.00 H new ATOM 639 N THR A 47 -9.289 4.976 -10.982 1.00 0.00 N ATOM 640 CA THR A 47 -9.369 5.666 -9.701 1.00 0.00 C ATOM 641 C THR A 47 -8.144 6.542 -9.470 1.00 0.00 C ATOM 642 O THR A 47 -8.261 7.687 -9.034 1.00 0.00 O ATOM 643 CB THR A 47 -9.501 4.669 -8.534 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.716 3.923 -8.661 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.483 5.396 -7.197 1.00 0.00 C ATOM 0 H THR A 47 -9.301 3.958 -10.914 1.00 0.00 H new ATOM 0 HA THR A 47 -10.259 6.294 -9.736 1.00 0.00 H new ATOM 0 HB THR A 47 -8.652 3.987 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.791 3.291 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.578 4.672 -6.388 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.544 5.939 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.315 6.099 -7.154 1.00 0.00 H new ATOM 653 N ALA A 48 -6.968 5.998 -9.767 1.00 0.00 N ATOM 654 CA ALA A 48 -5.721 6.732 -9.594 1.00 0.00 C ATOM 655 C ALA A 48 -5.674 7.956 -10.503 1.00 0.00 C ATOM 656 O ALA A 48 -5.335 9.054 -10.063 1.00 0.00 O ATOM 657 CB ALA A 48 -4.532 5.823 -9.867 1.00 0.00 C ATOM 0 H ALA A 48 -6.853 5.051 -10.129 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.671 7.077 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.607 6.384 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.550 4.983 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.586 5.450 -10.890 1.00 0.00 H new ATOM 663 N ASN A 49 -6.015 7.758 -11.772 1.00 0.00 N ATOM 664 CA ASN A 49 -6.011 8.846 -12.743 1.00 0.00 C ATOM 665 C ASN A 49 -6.885 10.003 -12.268 1.00 0.00 C ATOM 666 O ASN A 49 -6.502 11.169 -12.374 1.00 0.00 O ATOM 667 CB ASN A 49 -6.502 8.346 -14.103 1.00 0.00 C ATOM 668 CG ASN A 49 -6.686 9.473 -15.101 1.00 0.00 C ATOM 669 OD1 ASN A 49 -5.790 10.293 -15.300 1.00 0.00 O ATOM 670 ND2 ASN A 49 -7.852 9.517 -15.734 1.00 0.00 N ATOM 0 H ASN A 49 -6.298 6.855 -12.152 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.987 9.205 -12.844 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.788 7.625 -14.501 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.448 7.820 -13.974 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.034 10.252 -16.417 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.566 8.816 -15.537 1.00 0.00 H new ATOM 677 N HIS A 50 -8.060 9.672 -11.743 1.00 0.00 N ATOM 678 CA HIS A 50 -8.989 10.683 -11.251 1.00 0.00 C ATOM 679 C HIS A 50 -8.268 11.701 -10.372 1.00 0.00 C ATOM 680 O HIS A 50 -8.470 12.908 -10.508 1.00 0.00 O ATOM 681 CB HIS A 50 -10.122 10.025 -10.463 1.00 0.00 C ATOM 682 CG HIS A 50 -11.126 9.327 -11.328 1.00 0.00 C ATOM 683 ND1 HIS A 50 -10.869 8.958 -12.632 1.00 0.00 N ATOM 684 CD2 HIS A 50 -12.394 8.930 -11.069 1.00 0.00 C ATOM 685 CE1 HIS A 50 -11.936 8.365 -13.138 1.00 0.00 C ATOM 686 NE2 HIS A 50 -12.876 8.335 -12.210 1.00 0.00 N ATOM 0 H HIS A 50 -8.391 8.712 -11.647 1.00 0.00 H new ATOM 0 HA HIS A 50 -9.409 11.204 -12.111 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.697 9.307 -9.762 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.631 10.785 -9.871 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.928 9.057 -10.139 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.025 7.972 -14.140 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.808 7.935 -12.322 1.00 0.00 H new ATOM 694 N LYS A 51 -7.427 11.207 -9.471 1.00 0.00 N ATOM 695 CA LYS A 51 -6.674 12.072 -8.570 1.00 0.00 C ATOM 696 C LYS A 51 -5.595 12.839 -9.327 1.00 0.00 C ATOM 697 O LYS A 51 -5.315 13.999 -9.025 1.00 0.00 O ATOM 698 CB LYS A 51 -6.038 11.246 -7.450 1.00 0.00 C ATOM 699 CG LYS A 51 -7.037 10.743 -6.422 1.00 0.00 C ATOM 700 CD LYS A 51 -7.586 9.378 -6.800 1.00 0.00 C ATOM 701 CE LYS A 51 -8.311 8.726 -5.633 1.00 0.00 C ATOM 702 NZ LYS A 51 -9.635 9.358 -5.380 1.00 0.00 N ATOM 0 H LYS A 51 -7.249 10.211 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.367 12.791 -8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.520 10.393 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.285 11.852 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.557 10.685 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.858 11.454 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.269 9.480 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.770 8.734 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.449 7.664 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.696 8.800 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.098 8.885 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.502 10.366 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.232 9.265 -6.227 1.00 0.00 H new ATOM 716 N LYS A 52 -4.991 12.184 -10.313 1.00 0.00 N ATOM 717 CA LYS A 52 -3.944 12.804 -11.116 1.00 0.00 C ATOM 718 C LYS A 52 -4.430 14.114 -11.726 1.00 0.00 C ATOM 719 O LYS A 52 -3.719 15.119 -11.711 1.00 0.00 O ATOM 720 CB LYS A 52 -3.490 11.850 -12.224 1.00 0.00 C ATOM 721 CG LYS A 52 -2.422 12.436 -13.130 1.00 0.00 C ATOM 722 CD LYS A 52 -3.034 13.161 -14.317 1.00 0.00 C ATOM 723 CE LYS A 52 -2.046 14.130 -14.948 1.00 0.00 C ATOM 724 NZ LYS A 52 -2.636 14.841 -16.117 1.00 0.00 N ATOM 0 H LYS A 52 -5.209 11.223 -10.575 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.099 13.020 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.108 10.935 -11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.353 11.570 -12.828 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.800 13.128 -12.561 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.769 11.640 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.358 12.434 -15.061 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.922 13.704 -13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.726 14.859 -14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.156 13.586 -15.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.932 15.492 -16.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.918 14.148 -16.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.471 15.380 -15.810 1.00 0.00 H new ATOM 738 N SER A 53 -5.647 14.097 -12.261 1.00 0.00 N ATOM 739 CA SER A 53 -6.227 15.284 -12.879 1.00 0.00 C ATOM 740 C SER A 53 -6.836 16.203 -11.824 1.00 0.00 C ATOM 741 O SER A 53 -7.923 16.747 -12.012 1.00 0.00 O ATOM 742 CB SER A 53 -7.294 14.884 -13.899 1.00 0.00 C ATOM 743 OG SER A 53 -6.766 13.994 -14.867 1.00 0.00 O ATOM 0 H SER A 53 -6.250 13.275 -12.279 1.00 0.00 H new ATOM 0 HA SER A 53 -5.430 15.824 -13.390 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.133 14.413 -13.387 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.682 15.775 -14.393 1.00 0.00 H new ATOM 0 HG SER A 53 -7.468 13.752 -15.506 1.00 0.00 H new ATOM 749 N MET A 54 -6.125 16.370 -10.713 1.00 0.00 N ATOM 750 CA MET A 54 -6.594 17.224 -9.628 1.00 0.00 C ATOM 751 C MET A 54 -5.608 18.357 -9.363 1.00 0.00 C ATOM 752 O MET A 54 -5.983 19.413 -8.851 1.00 0.00 O ATOM 753 CB MET A 54 -6.797 16.401 -8.354 1.00 0.00 C ATOM 754 CG MET A 54 -7.869 15.331 -8.486 1.00 0.00 C ATOM 755 SD MET A 54 -9.535 16.019 -8.526 1.00 0.00 S ATOM 756 CE MET A 54 -10.120 15.397 -10.101 1.00 0.00 C ATOM 0 H MET A 54 -5.223 15.926 -10.541 1.00 0.00 H new ATOM 0 HA MET A 54 -7.548 17.658 -9.927 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.854 15.927 -8.083 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.063 17.071 -7.537 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.695 14.758 -9.397 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.787 14.635 -7.651 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.841 16.097 -10.524 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.278 15.287 -10.784 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.598 14.428 -9.955 1.00 0.00 H new ATOM 766 N LEU A 55 -4.347 18.132 -9.714 1.00 0.00 N ATOM 767 CA LEU A 55 -3.307 19.135 -9.514 1.00 0.00 C ATOM 768 C LEU A 55 -2.927 19.797 -10.835 1.00 0.00 C ATOM 769 O LEU A 55 -2.436 20.926 -10.857 1.00 0.00 O ATOM 770 CB LEU A 55 -2.071 18.497 -8.877 1.00 0.00 C ATOM 771 CG LEU A 55 -1.304 17.503 -9.748 1.00 0.00 C ATOM 772 CD1 LEU A 55 0.184 17.560 -9.440 1.00 0.00 C ATOM 773 CD2 LEU A 55 -1.838 16.092 -9.545 1.00 0.00 C ATOM 0 H LEU A 55 -4.020 17.264 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.700 19.900 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.388 19.293 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.380 17.987 -7.965 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.449 17.779 -10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.714 16.845 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.558 18.565 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.348 17.311 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.280 15.398 -10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.724 15.807 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.893 16.060 -9.817 1.00 0.00 H new ATOM 785 N ASP A 56 -3.159 19.087 -11.934 1.00 0.00 N ATOM 786 CA ASP A 56 -2.844 19.607 -13.260 1.00 0.00 C ATOM 787 C ASP A 56 -4.043 20.339 -13.855 1.00 0.00 C ATOM 788 O ASP A 56 -3.984 21.541 -14.114 1.00 0.00 O ATOM 789 CB ASP A 56 -2.414 18.469 -14.188 1.00 0.00 C ATOM 790 CG ASP A 56 -1.555 18.955 -15.339 1.00 0.00 C ATOM 791 OD1 ASP A 56 -1.951 19.936 -16.001 1.00 0.00 O ATOM 792 OD2 ASP A 56 -0.487 18.353 -15.578 1.00 0.00 O ATOM 0 H ASP A 56 -3.564 18.151 -11.933 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.021 20.315 -13.160 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.861 17.725 -13.614 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.300 17.972 -14.584 1.00 0.00 H new ATOM 797 N LYS A 57 -5.130 19.606 -14.072 1.00 0.00 N ATOM 798 CA LYS A 57 -6.343 20.184 -14.637 1.00 0.00 C ATOM 799 C LYS A 57 -7.339 20.540 -13.537 1.00 0.00 C ATOM 800 O LYS A 57 -7.836 21.664 -13.477 1.00 0.00 O ATOM 801 CB LYS A 57 -6.985 19.209 -15.625 1.00 0.00 C ATOM 802 CG LYS A 57 -6.123 18.920 -16.842 1.00 0.00 C ATOM 803 CD LYS A 57 -6.040 20.124 -17.765 1.00 0.00 C ATOM 804 CE LYS A 57 -7.160 20.116 -18.794 1.00 0.00 C ATOM 805 NZ LYS A 57 -7.245 21.408 -19.531 1.00 0.00 N ATOM 0 H LYS A 57 -5.195 18.609 -13.865 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.069 21.098 -15.165 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.199 18.272 -15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.941 19.616 -15.955 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.121 18.637 -16.520 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.534 18.070 -17.387 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.092 21.040 -17.176 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.076 20.127 -18.275 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.997 19.304 -19.502 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.109 19.919 -18.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.020 21.363 -20.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.426 22.180 -18.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.348 21.584 -20.027 1.00 0.00 H new ATOM 819 N GLY A 58 -7.625 19.575 -12.669 1.00 0.00 N ATOM 820 CA GLY A 58 -8.559 19.807 -11.583 1.00 0.00 C ATOM 821 C GLY A 58 -9.733 18.849 -11.614 1.00 0.00 C ATOM 822 O GLY A 58 -10.236 18.440 -10.568 1.00 0.00 O ATOM 0 H GLY A 58 -7.227 18.636 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.037 19.707 -10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.928 20.831 -11.638 1.00 0.00 H new ATOM 826 N GLU A 59 -10.172 18.491 -12.817 1.00 0.00 N ATOM 827 CA GLU A 59 -11.297 17.577 -12.978 1.00 0.00 C ATOM 828 C GLU A 59 -10.832 16.236 -13.538 1.00 0.00 C ATOM 829 O GLU A 59 -9.815 16.158 -14.226 1.00 0.00 O ATOM 830 CB GLU A 59 -12.352 18.190 -13.902 1.00 0.00 C ATOM 831 CG GLU A 59 -13.305 19.138 -13.193 1.00 0.00 C ATOM 832 CD GLU A 59 -14.517 18.427 -12.622 1.00 0.00 C ATOM 833 OE1 GLU A 59 -15.137 17.630 -13.357 1.00 0.00 O ATOM 834 OE2 GLU A 59 -14.846 18.669 -11.442 1.00 0.00 O ATOM 0 H GLU A 59 -9.766 18.820 -13.693 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.739 17.408 -11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.850 18.727 -14.707 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.928 17.388 -14.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.774 19.647 -12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.635 19.906 -13.892 1.00 0.00 H new ATOM 841 N SER A 60 -11.585 15.183 -13.237 1.00 0.00 N ATOM 842 CA SER A 60 -11.249 13.844 -13.706 1.00 0.00 C ATOM 843 C SER A 60 -12.084 13.470 -14.926 1.00 0.00 C ATOM 844 O SER A 60 -13.301 13.655 -14.940 1.00 0.00 O ATOM 845 CB SER A 60 -11.468 12.820 -12.590 1.00 0.00 C ATOM 846 OG SER A 60 -12.843 12.708 -12.264 1.00 0.00 O ATOM 0 H SER A 60 -12.432 15.231 -12.670 1.00 0.00 H new ATOM 0 HA SER A 60 -10.197 13.839 -13.992 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.085 11.849 -12.903 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.904 13.115 -11.705 1.00 0.00 H new ATOM 0 HG SER A 60 -12.957 12.047 -11.550 1.00 0.00 H new ATOM 852 N SER A 61 -11.420 12.943 -15.950 1.00 0.00 N ATOM 853 CA SER A 61 -12.100 12.546 -17.178 1.00 0.00 C ATOM 854 C SER A 61 -11.244 11.571 -17.982 1.00 0.00 C ATOM 855 O SER A 61 -10.052 11.410 -17.718 1.00 0.00 O ATOM 856 CB SER A 61 -12.424 13.776 -18.027 1.00 0.00 C ATOM 857 OG SER A 61 -13.605 14.413 -17.572 1.00 0.00 O ATOM 0 H SER A 61 -10.413 12.781 -15.954 1.00 0.00 H new ATOM 0 HA SER A 61 -13.030 12.047 -16.904 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.591 14.478 -17.989 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.545 13.481 -19.069 1.00 0.00 H new ATOM 0 HG SER A 61 -13.714 14.252 -16.611 1.00 0.00 H new ATOM 863 N CYS A 62 -11.861 10.922 -18.964 1.00 0.00 N ATOM 864 CA CYS A 62 -11.159 9.962 -19.807 1.00 0.00 C ATOM 865 C CYS A 62 -9.797 10.505 -20.230 1.00 0.00 C ATOM 866 O CYS A 62 -9.693 11.513 -20.929 1.00 0.00 O ATOM 867 CB CYS A 62 -11.995 9.631 -21.044 1.00 0.00 C ATOM 868 SG CYS A 62 -11.323 8.271 -22.053 1.00 0.00 S ATOM 0 H CYS A 62 -12.847 11.044 -19.196 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.004 9.052 -19.228 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -13.005 9.370 -20.728 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -12.076 10.524 -21.664 1.00 0.00 H new ATOM 0 HG CYS A 62 -12.302 7.587 -22.567 1.00 0.00 H new ATOM 873 N PRO A 63 -8.727 9.821 -19.798 1.00 0.00 N ATOM 874 CA PRO A 63 -7.352 10.214 -20.121 1.00 0.00 C ATOM 875 C PRO A 63 -7.018 9.999 -21.593 1.00 0.00 C ATOM 876 O PRO A 63 -5.891 10.240 -22.026 1.00 0.00 O ATOM 877 CB PRO A 63 -6.504 9.294 -19.240 1.00 0.00 C ATOM 878 CG PRO A 63 -7.363 8.101 -19.000 1.00 0.00 C ATOM 879 CD PRO A 63 -8.777 8.610 -18.962 1.00 0.00 C ATOM 0 HA PRO A 63 -7.179 11.275 -19.943 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.573 9.018 -19.736 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.234 9.782 -18.304 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.235 7.363 -19.791 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.099 7.612 -18.062 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.479 7.877 -19.359 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.095 8.837 -17.944 1.00 0.00 H new ATOM 887 N VAL A 64 -8.005 9.544 -22.359 1.00 0.00 N ATOM 888 CA VAL A 64 -7.816 9.298 -23.783 1.00 0.00 C ATOM 889 C VAL A 64 -8.491 10.377 -24.622 1.00 0.00 C ATOM 890 O VAL A 64 -7.828 11.127 -25.340 1.00 0.00 O ATOM 891 CB VAL A 64 -8.372 7.921 -24.194 1.00 0.00 C ATOM 892 CG1 VAL A 64 -8.203 7.701 -25.689 1.00 0.00 C ATOM 893 CG2 VAL A 64 -7.691 6.815 -23.403 1.00 0.00 C ATOM 0 H VAL A 64 -8.944 9.338 -22.017 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.742 9.318 -23.967 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.438 7.896 -23.967 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.601 6.723 -25.960 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.742 8.476 -26.234 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.145 7.745 -25.946 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.096 5.849 -23.706 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.619 6.836 -23.597 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.870 6.966 -22.338 1.00 0.00 H new ATOM 903 N CYS A 65 -9.814 10.451 -24.527 1.00 0.00 N ATOM 904 CA CYS A 65 -10.581 11.439 -25.277 1.00 0.00 C ATOM 905 C CYS A 65 -11.005 12.595 -24.377 1.00 0.00 C ATOM 906 O CYS A 65 -11.318 13.686 -24.855 1.00 0.00 O ATOM 907 CB CYS A 65 -11.815 10.787 -25.905 1.00 0.00 C ATOM 908 SG CYS A 65 -12.945 10.019 -24.700 1.00 0.00 S ATOM 0 H CYS A 65 -10.378 9.838 -23.938 1.00 0.00 H new ATOM 0 HA CYS A 65 -9.944 11.833 -26.069 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -12.362 11.541 -26.471 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -11.489 10.028 -26.616 1.00 0.00 H new ATOM 0 HG CYS A 65 -12.254 9.392 -23.795 1.00 0.00 H new ATOM 913 N ARG A 66 -11.014 12.349 -23.071 1.00 0.00 N ATOM 914 CA ARG A 66 -11.401 13.369 -22.103 1.00 0.00 C ATOM 915 C ARG A 66 -12.836 13.829 -22.343 1.00 0.00 C ATOM 916 O ARG A 66 -13.133 15.023 -22.286 1.00 0.00 O ATOM 917 CB ARG A 66 -10.450 14.565 -22.184 1.00 0.00 C ATOM 918 CG ARG A 66 -9.142 14.354 -21.440 1.00 0.00 C ATOM 919 CD ARG A 66 -8.110 13.658 -22.313 1.00 0.00 C ATOM 920 NE ARG A 66 -6.745 14.021 -21.942 1.00 0.00 N ATOM 921 CZ ARG A 66 -6.134 15.119 -22.372 1.00 0.00 C ATOM 922 NH1 ARG A 66 -6.764 15.957 -23.183 1.00 0.00 N ATOM 923 NH2 ARG A 66 -4.890 15.380 -21.991 1.00 0.00 N ATOM 0 H ARG A 66 -10.758 11.452 -22.659 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.340 12.931 -21.107 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.233 14.775 -23.231 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.951 15.445 -21.779 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.751 15.316 -21.110 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.323 13.759 -20.545 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.233 12.578 -22.229 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.283 13.919 -23.357 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.233 13.397 -21.318 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.720 15.759 -23.478 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.293 16.800 -23.512 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.402 14.737 -21.367 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.422 16.224 -22.322 1.00 0.00 H new ATOM 937 N ILE A 67 -13.721 12.875 -22.610 1.00 0.00 N ATOM 938 CA ILE A 67 -15.124 13.182 -22.858 1.00 0.00 C ATOM 939 C ILE A 67 -15.736 13.938 -21.683 1.00 0.00 C ATOM 940 O ILE A 67 -15.247 13.857 -20.557 1.00 0.00 O ATOM 941 CB ILE A 67 -15.943 11.904 -23.115 1.00 0.00 C ATOM 942 CG1 ILE A 67 -17.374 12.262 -23.523 1.00 0.00 C ATOM 943 CG2 ILE A 67 -15.946 11.019 -21.877 1.00 0.00 C ATOM 944 CD1 ILE A 67 -18.073 11.167 -24.298 1.00 0.00 C ATOM 0 H ILE A 67 -13.491 11.882 -22.660 1.00 0.00 H new ATOM 0 HA ILE A 67 -15.158 13.810 -23.749 1.00 0.00 H new ATOM 0 HB ILE A 67 -15.479 11.352 -23.932 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -17.953 12.488 -22.627 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -17.355 13.169 -24.128 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -16.529 10.119 -22.074 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -14.922 10.740 -21.626 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -16.389 11.562 -21.042 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -19.082 11.490 -24.554 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -17.517 10.956 -25.211 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -18.124 10.265 -23.688 1.00 0.00 H new ATOM 956 N SER A 68 -16.811 14.671 -21.954 1.00 0.00 N ATOM 957 CA SER A 68 -17.490 15.443 -20.921 1.00 0.00 C ATOM 958 C SER A 68 -18.487 14.574 -20.159 1.00 0.00 C ATOM 959 O SER A 68 -19.508 15.061 -19.673 1.00 0.00 O ATOM 960 CB SER A 68 -18.212 16.642 -21.541 1.00 0.00 C ATOM 961 OG SER A 68 -18.318 17.708 -20.614 1.00 0.00 O ATOM 0 H SER A 68 -17.230 14.746 -22.881 1.00 0.00 H new ATOM 0 HA SER A 68 -16.738 15.803 -20.219 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.672 16.978 -22.426 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.207 16.341 -21.870 1.00 0.00 H new ATOM 0 HG SER A 68 -18.781 18.462 -21.034 1.00 0.00 H new ATOM 967 N TYR A 69 -18.182 13.285 -20.060 1.00 0.00 N ATOM 968 CA TYR A 69 -19.050 12.346 -19.361 1.00 0.00 C ATOM 969 C TYR A 69 -18.814 12.404 -17.855 1.00 0.00 C ATOM 970 O TYR A 69 -17.855 13.018 -17.390 1.00 0.00 O ATOM 971 CB TYR A 69 -18.814 10.923 -19.871 1.00 0.00 C ATOM 972 CG TYR A 69 -17.695 10.201 -19.155 1.00 0.00 C ATOM 973 CD1 TYR A 69 -16.579 10.890 -18.697 1.00 0.00 C ATOM 974 CD2 TYR A 69 -17.754 8.830 -18.936 1.00 0.00 C ATOM 975 CE1 TYR A 69 -15.553 10.234 -18.043 1.00 0.00 C ATOM 976 CE2 TYR A 69 -16.734 8.166 -18.282 1.00 0.00 C ATOM 977 CZ TYR A 69 -15.636 8.872 -17.838 1.00 0.00 C ATOM 978 OH TYR A 69 -14.617 8.216 -17.186 1.00 0.00 O ATOM 0 H TYR A 69 -17.340 12.867 -20.455 1.00 0.00 H new ATOM 0 HA TYR A 69 -20.084 12.629 -19.560 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -19.734 10.349 -19.761 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.587 10.961 -20.937 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -16.512 11.956 -18.855 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.612 8.274 -19.283 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -14.691 10.784 -17.695 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.796 7.100 -18.120 1.00 0.00 H new ATOM 0 HH TYR A 69 -14.991 7.660 -16.470 1.00 0.00 H new ATOM 988 N GLN A 70 -19.697 11.758 -17.099 1.00 0.00 N ATOM 989 CA GLN A 70 -19.586 11.736 -15.645 1.00 0.00 C ATOM 990 C GLN A 70 -18.839 10.492 -15.175 1.00 0.00 C ATOM 991 O GLN A 70 -19.289 9.361 -15.362 1.00 0.00 O ATOM 992 CB GLN A 70 -20.974 11.784 -15.005 1.00 0.00 C ATOM 993 CG GLN A 70 -21.504 13.195 -14.806 1.00 0.00 C ATOM 994 CD GLN A 70 -21.978 13.828 -16.099 1.00 0.00 C ATOM 995 OE1 GLN A 70 -22.445 13.139 -17.006 1.00 0.00 O ATOM 996 NE2 GLN A 70 -21.862 15.148 -16.189 1.00 0.00 N ATOM 0 H GLN A 70 -20.496 11.244 -17.469 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.021 12.615 -15.336 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -21.672 11.227 -15.630 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.938 11.279 -14.040 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -22.329 13.172 -14.093 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -20.721 13.815 -14.368 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -21.469 15.680 -15.412 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -22.166 15.630 -17.035 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.671 10.703 -14.551 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.837 9.610 -14.042 1.00 0.00 C ATOM 1007 C PRO A 71 -17.465 8.913 -12.840 1.00 0.00 C ATOM 1008 O PRO A 71 -16.866 8.015 -12.249 1.00 0.00 O ATOM 1009 CB PRO A 71 -15.540 10.313 -13.634 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.945 11.718 -13.349 1.00 0.00 C ATOM 1011 CD PRO A 71 -17.074 12.024 -14.294 1.00 0.00 C ATOM 0 HA PRO A 71 -16.697 8.825 -14.785 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.094 9.844 -12.757 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.798 10.269 -14.431 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.263 11.830 -12.312 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.111 12.403 -13.502 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.794 12.711 -13.850 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.715 12.488 -15.212 1.00 0.00 H new ATOM 1019 N GLU A 72 -18.675 9.333 -12.484 1.00 0.00 N ATOM 1020 CA GLU A 72 -19.384 8.748 -11.351 1.00 0.00 C ATOM 1021 C GLU A 72 -20.490 7.811 -11.827 1.00 0.00 C ATOM 1022 O GLU A 72 -20.653 6.710 -11.303 1.00 0.00 O ATOM 1023 CB GLU A 72 -19.977 9.849 -10.469 1.00 0.00 C ATOM 1024 CG GLU A 72 -20.813 9.320 -9.316 1.00 0.00 C ATOM 1025 CD GLU A 72 -19.968 8.864 -8.143 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -19.003 9.575 -7.794 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -20.272 7.794 -7.574 1.00 0.00 O ATOM 0 H GLU A 72 -19.185 10.075 -12.963 1.00 0.00 H new ATOM 0 HA GLU A 72 -18.669 8.170 -10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.167 10.459 -10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.595 10.503 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.500 10.098 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.422 8.486 -9.666 1.00 0.00 H new ATOM 1034 N ASN A 73 -21.248 8.257 -12.823 1.00 0.00 N ATOM 1035 CA ASN A 73 -22.340 7.460 -13.369 1.00 0.00 C ATOM 1036 C ASN A 73 -21.810 6.388 -14.317 1.00 0.00 C ATOM 1037 O ASN A 73 -22.127 6.387 -15.507 1.00 0.00 O ATOM 1038 CB ASN A 73 -23.338 8.358 -14.103 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.743 8.987 -15.348 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -21.597 8.716 -15.706 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.521 9.832 -16.014 1.00 0.00 N ATOM 0 H ASN A 73 -21.126 9.166 -13.269 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.847 6.968 -12.539 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.215 7.772 -14.379 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.679 9.144 -13.429 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.175 10.286 -16.859 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.465 10.027 -15.680 1.00 0.00 H new ATOM 1048 N ILE A 74 -21.003 5.479 -13.782 1.00 0.00 N ATOM 1049 CA ILE A 74 -20.431 4.402 -14.579 1.00 0.00 C ATOM 1050 C ILE A 74 -20.493 3.073 -13.834 1.00 0.00 C ATOM 1051 O ILE A 74 -20.349 3.027 -12.612 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.967 4.697 -14.957 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.844 6.103 -15.549 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -18.453 3.656 -15.940 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.462 6.700 -15.407 1.00 0.00 C ATOM 0 H ILE A 74 -20.730 5.467 -12.799 1.00 0.00 H new ATOM 0 HA ILE A 74 -21.027 4.334 -15.489 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.357 4.648 -14.055 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -19.109 6.068 -16.606 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.566 6.758 -15.061 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -17.417 3.878 -16.197 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.510 2.667 -15.485 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.063 3.676 -16.843 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.449 7.696 -15.849 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.202 6.768 -14.351 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.738 6.067 -15.919 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.706 1.993 -14.578 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.787 0.662 -13.988 1.00 0.00 C ATOM 1069 C ARG A 75 -20.274 -0.396 -14.961 1.00 0.00 C ATOM 1070 O ARG A 75 -20.479 -0.313 -16.172 1.00 0.00 O ATOM 1071 CB ARG A 75 -22.229 0.345 -13.588 1.00 0.00 C ATOM 1072 CG ARG A 75 -23.162 0.154 -14.772 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.616 0.350 -14.373 1.00 0.00 C ATOM 1074 NE ARG A 75 -25.536 -0.205 -15.363 1.00 0.00 N ATOM 1075 CZ ARG A 75 -26.801 -0.513 -15.100 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -27.294 -0.321 -13.884 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -27.575 -1.014 -16.054 1.00 0.00 N ATOM 0 H ARG A 75 -20.826 2.013 -15.591 1.00 0.00 H new ATOM 0 HA ARG A 75 -20.158 0.648 -13.098 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -22.238 -0.560 -12.980 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.610 1.153 -12.963 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.901 0.861 -15.560 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -23.028 -0.846 -15.184 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.794 -0.124 -13.408 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.817 1.414 -14.248 1.00 0.00 H new ATOM 0 HE ARG A 75 -25.188 -0.365 -16.308 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.701 0.064 -13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -28.266 -0.558 -13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -27.199 -1.163 -16.990 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.546 -1.250 -15.851 1.00 0.00 H new