USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=19 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 50 HIS : no HD1:sc= -0.327! C(o=0.9!,f=-9.8!) USER MOD Set 1.2: A 60 SER OG : rot -140:sc= 0 USER MOD Set 1.3: A 69 TYR OH : rot 63:sc= 1.23! USER MOD Set 2.1: A 22 CYS SG : rot 92:sc= 0.493! USER MOD Set 2.2: A 25 CYS SG : rot -56:sc= -0.707! USER MOD Set 2.3: A 42 CYS SG : rot 83:sc= -2.22! USER MOD Set 2.4: A 45 CYS SG : rot 129:sc= -1.05 USER MOD Set 3.1: A 37 CYS SG : rot 99:sc= 0.951 USER MOD Set 3.2: A 39 HIS : no HD1:sc= -1.34 K(o=1.8,f=-2.8!) USER MOD Set 3.3: A 62 CYS SG : rot 145:sc= 1.55 USER MOD Set 3.4: A 65 CYS SG : rot -46:sc= 0.637 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 X(o=0,f=-0.045) 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= -0.413 X(o=-0.41,f=-0.27) USER MOD Single : A 47 THR OG1 : rot 93:sc= 0.111 USER MOD Single : A 49 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.65) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= -0.254 (180deg=-1.14!) USER MOD Single : A 53 SER OG : rot 87:sc= -1.03 USER MOD Single : A 54 MET CE :methyl 167:sc= -0.0213 (180deg=-0.264) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 48:sc= 1.27 USER MOD Single : A 68 SER OG : rot 23:sc= 0.822! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.896 -10.353 -25.086 1.00 0.00 N ATOM 233 CA GLU A 19 -6.137 -9.468 -26.220 1.00 0.00 C ATOM 234 C GLU A 19 -6.332 -8.028 -25.754 1.00 0.00 C ATOM 235 O GLU A 19 -5.910 -7.085 -26.423 1.00 0.00 O ATOM 236 CB GLU A 19 -7.364 -9.933 -27.006 1.00 0.00 C ATOM 237 CG GLU A 19 -8.637 -9.974 -26.178 1.00 0.00 C ATOM 238 CD GLU A 19 -8.848 -11.313 -25.498 1.00 0.00 C ATOM 239 OE1 GLU A 19 -8.254 -11.533 -24.422 1.00 0.00 O ATOM 240 OE2 GLU A 19 -9.608 -12.142 -26.043 1.00 0.00 O ATOM 0 HA GLU A 19 -5.263 -9.506 -26.870 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.515 -9.267 -27.856 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.171 -10.927 -27.410 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.600 -9.189 -25.423 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.491 -9.758 -26.820 1.00 0.00 H new ATOM 247 N VAL A 20 -6.977 -7.867 -24.603 1.00 0.00 N ATOM 248 CA VAL A 20 -7.229 -6.543 -24.047 1.00 0.00 C ATOM 249 C VAL A 20 -6.150 -6.155 -23.041 1.00 0.00 C ATOM 250 O VAL A 20 -5.962 -6.825 -22.025 1.00 0.00 O ATOM 251 CB VAL A 20 -8.605 -6.476 -23.358 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.905 -5.056 -22.901 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.692 -6.986 -24.292 1.00 0.00 C ATOM 0 H VAL A 20 -7.334 -8.637 -24.038 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.214 -5.841 -24.881 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.584 -7.118 -22.477 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.881 -5.028 -22.417 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.140 -4.732 -22.195 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.909 -4.389 -23.763 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.658 -6.932 -23.790 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.716 -6.372 -25.192 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.482 -8.020 -24.564 1.00 0.00 H new ATOM 263 N THR A 21 -5.444 -5.067 -23.330 1.00 0.00 N ATOM 264 CA THR A 21 -4.383 -4.589 -22.452 1.00 0.00 C ATOM 265 C THR A 21 -4.682 -3.183 -21.944 1.00 0.00 C ATOM 266 O THR A 21 -5.296 -2.376 -22.643 1.00 0.00 O ATOM 267 CB THR A 21 -3.020 -4.584 -23.169 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.790 -5.852 -23.793 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.894 -4.284 -22.190 1.00 0.00 C ATOM 0 H THR A 21 -5.588 -4.500 -24.166 1.00 0.00 H new ATOM 0 HA THR A 21 -4.338 -5.276 -21.607 1.00 0.00 H new ATOM 0 HB THR A 21 -3.037 -3.803 -23.929 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.922 -5.840 -24.248 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.941 -4.286 -22.720 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.056 -3.305 -21.738 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.877 -5.046 -21.410 1.00 0.00 H new ATOM 277 N CYS A 22 -4.243 -2.894 -20.723 1.00 0.00 N ATOM 278 CA CYS A 22 -4.462 -1.585 -20.121 1.00 0.00 C ATOM 279 C CYS A 22 -3.471 -0.561 -20.667 1.00 0.00 C ATOM 280 O CYS A 22 -2.256 -0.755 -20.628 1.00 0.00 O ATOM 281 CB CYS A 22 -4.335 -1.673 -18.599 1.00 0.00 C ATOM 282 SG CYS A 22 -4.637 -0.098 -17.735 1.00 0.00 S ATOM 0 H CYS A 22 -3.733 -3.550 -20.131 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.470 -1.260 -20.377 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.039 -2.419 -18.229 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.335 -2.027 -18.348 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.893 -0.015 -17.410 1.00 0.00 H new ATOM 287 N PRO A 23 -4.000 0.555 -21.188 1.00 0.00 N ATOM 288 CA PRO A 23 -3.180 1.632 -21.752 1.00 0.00 C ATOM 289 C PRO A 23 -2.398 2.385 -20.681 1.00 0.00 C ATOM 290 O PRO A 23 -1.644 3.311 -20.985 1.00 0.00 O ATOM 291 CB PRO A 23 -4.209 2.554 -22.411 1.00 0.00 C ATOM 292 CG PRO A 23 -5.474 2.303 -21.666 1.00 0.00 C ATOM 293 CD PRO A 23 -5.440 0.853 -21.268 1.00 0.00 C ATOM 0 HA PRO A 23 -2.426 1.252 -22.441 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.908 3.599 -22.339 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.322 2.327 -23.471 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.545 2.947 -20.789 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.343 2.516 -22.289 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.938 0.687 -20.313 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.941 0.223 -22.003 1.00 0.00 H new ATOM 301 N ILE A 24 -2.581 1.983 -19.428 1.00 0.00 N ATOM 302 CA ILE A 24 -1.891 2.620 -18.313 1.00 0.00 C ATOM 303 C ILE A 24 -0.746 1.750 -17.806 1.00 0.00 C ATOM 304 O ILE A 24 0.425 2.051 -18.035 1.00 0.00 O ATOM 305 CB ILE A 24 -2.855 2.912 -17.148 1.00 0.00 C ATOM 306 CG1 ILE A 24 -3.753 4.103 -17.486 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.074 3.177 -15.869 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.120 4.032 -16.841 1.00 0.00 C ATOM 0 H ILE A 24 -3.201 1.219 -19.159 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.490 3.562 -18.686 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.487 2.038 -16.991 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.259 5.022 -17.170 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.873 4.161 -18.568 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.769 3.382 -15.054 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.473 2.302 -15.622 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.420 4.037 -16.013 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.702 4.909 -17.125 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.634 3.131 -17.176 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.010 4.005 -15.757 1.00 0.00 H new ATOM 320 N CYS A 25 -1.093 0.668 -17.117 1.00 0.00 N ATOM 321 CA CYS A 25 -0.096 -0.248 -16.577 1.00 0.00 C ATOM 322 C CYS A 25 0.503 -1.113 -17.683 1.00 0.00 C ATOM 323 O CYS A 25 1.588 -1.674 -17.528 1.00 0.00 O ATOM 324 CB CYS A 25 -0.720 -1.138 -15.500 1.00 0.00 C ATOM 325 SG CYS A 25 -2.191 -2.058 -16.056 1.00 0.00 S ATOM 0 H CYS A 25 -2.058 0.404 -16.919 1.00 0.00 H new ATOM 0 HA CYS A 25 0.702 0.345 -16.131 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.030 -1.849 -15.152 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.993 -0.519 -14.646 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.075 -1.224 -16.517 1.00 0.00 H new ATOM 330 N LEU A 26 -0.211 -1.215 -18.799 1.00 0.00 N ATOM 331 CA LEU A 26 0.249 -2.010 -19.931 1.00 0.00 C ATOM 332 C LEU A 26 0.549 -3.443 -19.504 1.00 0.00 C ATOM 333 O LEU A 26 1.483 -4.068 -20.006 1.00 0.00 O ATOM 334 CB LEU A 26 1.497 -1.379 -20.550 1.00 0.00 C ATOM 335 CG LEU A 26 1.467 0.141 -20.717 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.829 0.656 -21.159 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.393 0.547 -21.715 1.00 0.00 C ATOM 0 H LEU A 26 -1.111 -0.757 -18.944 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.547 -2.031 -20.675 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.356 -1.640 -19.932 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.660 -1.829 -21.529 1.00 0.00 H new ATOM 0 HG LEU A 26 1.227 0.588 -19.753 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.789 1.739 -21.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.577 0.397 -20.409 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.098 0.201 -22.112 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.386 1.632 -21.821 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.603 0.089 -22.682 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.581 0.211 -21.358 1.00 0.00 H new ATOM 349 N GLU A 27 -0.252 -3.959 -18.576 1.00 0.00 N ATOM 350 CA GLU A 27 -0.072 -5.319 -18.083 1.00 0.00 C ATOM 351 C GLU A 27 -1.126 -6.254 -18.670 1.00 0.00 C ATOM 352 O GLU A 27 -0.822 -7.098 -19.514 1.00 0.00 O ATOM 353 CB GLU A 27 -0.144 -5.346 -16.555 1.00 0.00 C ATOM 354 CG GLU A 27 1.106 -4.812 -15.877 1.00 0.00 C ATOM 355 CD GLU A 27 2.137 -5.893 -15.620 1.00 0.00 C ATOM 356 OE1 GLU A 27 2.404 -6.691 -16.543 1.00 0.00 O ATOM 357 OE2 GLU A 27 2.678 -5.941 -14.495 1.00 0.00 O ATOM 0 H GLU A 27 -1.031 -3.456 -18.151 1.00 0.00 H new ATOM 0 HA GLU A 27 0.912 -5.665 -18.398 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.003 -4.758 -16.230 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.316 -6.371 -16.226 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.548 -4.034 -16.499 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.831 -4.345 -14.931 1.00 0.00 H new ATOM 364 N LEU A 28 -2.364 -6.098 -18.216 1.00 0.00 N ATOM 365 CA LEU A 28 -3.464 -6.928 -18.694 1.00 0.00 C ATOM 366 C LEU A 28 -4.807 -6.374 -18.229 1.00 0.00 C ATOM 367 O LEU A 28 -4.903 -5.763 -17.164 1.00 0.00 O ATOM 368 CB LEU A 28 -3.296 -8.367 -18.202 1.00 0.00 C ATOM 369 CG LEU A 28 -4.558 -9.230 -18.205 1.00 0.00 C ATOM 370 CD1 LEU A 28 -5.045 -9.459 -19.627 1.00 0.00 C ATOM 371 CD2 LEU A 28 -4.298 -10.557 -17.508 1.00 0.00 C ATOM 0 H LEU A 28 -2.632 -5.405 -17.518 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.445 -6.919 -19.784 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.544 -8.856 -18.822 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.902 -8.339 -17.186 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.338 -8.701 -17.657 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.944 -10.075 -19.609 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.272 -8.500 -20.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.269 -9.966 -20.200 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.207 -11.158 -17.520 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.503 -11.091 -18.028 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.998 -10.373 -16.476 1.00 0.00 H new ATOM 383 N LEU A 29 -5.842 -6.592 -19.033 1.00 0.00 N ATOM 384 CA LEU A 29 -7.181 -6.116 -18.703 1.00 0.00 C ATOM 385 C LEU A 29 -8.194 -7.255 -18.764 1.00 0.00 C ATOM 386 O LEU A 29 -8.699 -7.595 -19.834 1.00 0.00 O ATOM 387 CB LEU A 29 -7.596 -4.997 -19.661 1.00 0.00 C ATOM 388 CG LEU A 29 -7.112 -3.592 -19.301 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.846 -2.547 -20.127 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.299 -3.327 -17.815 1.00 0.00 C ATOM 0 H LEU A 29 -5.780 -7.095 -19.918 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.161 -5.726 -17.685 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.227 -5.243 -20.657 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.684 -4.981 -19.719 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.048 -3.526 -19.530 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.489 -1.553 -19.857 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.660 -2.724 -21.186 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.916 -2.614 -19.930 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.949 -2.322 -17.578 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.355 -3.413 -17.560 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.727 -4.056 -17.241 1.00 0.00 H new ATOM 402 N THR A 30 -8.488 -7.840 -17.607 1.00 0.00 N ATOM 403 CA THR A 30 -9.442 -8.939 -17.528 1.00 0.00 C ATOM 404 C THR A 30 -10.849 -8.428 -17.243 1.00 0.00 C ATOM 405 O THR A 30 -11.797 -8.768 -17.949 1.00 0.00 O ATOM 406 CB THR A 30 -9.044 -9.950 -16.436 1.00 0.00 C ATOM 407 OG1 THR A 30 -9.950 -11.059 -16.441 1.00 0.00 O ATOM 408 CG2 THR A 30 -9.046 -9.293 -15.064 1.00 0.00 C ATOM 0 H THR A 30 -8.079 -7.571 -16.712 1.00 0.00 H new ATOM 0 HA THR A 30 -9.430 -9.438 -18.497 1.00 0.00 H new ATOM 0 HB THR A 30 -8.036 -10.305 -16.650 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.689 -11.698 -15.745 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.762 -10.026 -14.309 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.334 -8.468 -15.055 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.044 -8.913 -14.844 1.00 0.00 H new ATOM 416 N GLN A 31 -10.976 -7.608 -16.204 1.00 0.00 N ATOM 417 CA GLN A 31 -12.269 -7.049 -15.827 1.00 0.00 C ATOM 418 C GLN A 31 -12.216 -5.526 -15.795 1.00 0.00 C ATOM 419 O GLN A 31 -12.511 -4.891 -14.783 1.00 0.00 O ATOM 420 CB GLN A 31 -12.700 -7.585 -14.460 1.00 0.00 C ATOM 421 CG GLN A 31 -13.471 -8.893 -14.535 1.00 0.00 C ATOM 422 CD GLN A 31 -14.459 -9.054 -13.396 1.00 0.00 C ATOM 423 OE1 GLN A 31 -15.384 -8.256 -13.244 1.00 0.00 O ATOM 424 NE2 GLN A 31 -14.268 -10.091 -12.589 1.00 0.00 N ATOM 0 H GLN A 31 -10.200 -7.317 -15.609 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.000 -7.352 -16.576 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.815 -7.730 -13.840 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.318 -6.837 -13.964 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.005 -8.942 -15.484 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.768 -9.726 -14.522 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.488 -10.727 -12.752 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.901 -10.251 -11.806 1.00 0.00 H new ATOM 433 N PRO A 32 -11.829 -4.923 -16.929 1.00 0.00 N ATOM 434 CA PRO A 32 -11.727 -3.466 -17.057 1.00 0.00 C ATOM 435 C PRO A 32 -13.092 -2.787 -17.046 1.00 0.00 C ATOM 436 O PRO A 32 -14.129 -3.453 -17.051 1.00 0.00 O ATOM 437 CB PRO A 32 -11.046 -3.276 -18.414 1.00 0.00 C ATOM 438 CG PRO A 32 -11.384 -4.505 -19.184 1.00 0.00 C ATOM 439 CD PRO A 32 -11.461 -5.617 -18.175 1.00 0.00 C ATOM 0 HA PRO A 32 -11.181 -3.021 -16.225 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.411 -2.381 -18.918 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.968 -3.163 -18.303 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.332 -4.388 -19.709 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.625 -4.714 -19.938 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.206 -6.362 -18.455 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.509 -6.138 -18.078 1.00 0.00 H new ATOM 447 N LEU A 33 -13.087 -1.459 -17.032 1.00 0.00 N ATOM 448 CA LEU A 33 -14.326 -0.688 -17.022 1.00 0.00 C ATOM 449 C LEU A 33 -14.656 -0.169 -18.417 1.00 0.00 C ATOM 450 O LEU A 33 -13.859 -0.304 -19.346 1.00 0.00 O ATOM 451 CB LEU A 33 -14.213 0.482 -16.043 1.00 0.00 C ATOM 452 CG LEU A 33 -13.652 0.149 -14.660 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.932 1.281 -13.684 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.239 -1.158 -14.147 1.00 0.00 C ATOM 0 H LEU A 33 -12.239 -0.893 -17.027 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.133 -1.347 -16.700 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.582 1.247 -16.494 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.203 0.920 -15.916 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.572 0.030 -14.746 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.526 1.026 -12.705 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.463 2.197 -14.045 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.008 1.433 -13.602 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.829 -1.379 -13.162 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.323 -1.067 -14.077 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.986 -1.965 -14.835 1.00 0.00 H new ATOM 466 N SER A 34 -15.836 0.426 -18.558 1.00 0.00 N ATOM 467 CA SER A 34 -16.273 0.965 -19.840 1.00 0.00 C ATOM 468 C SER A 34 -16.548 2.462 -19.736 1.00 0.00 C ATOM 469 O SER A 34 -16.873 2.972 -18.664 1.00 0.00 O ATOM 470 CB SER A 34 -17.530 0.237 -20.322 1.00 0.00 C ATOM 471 OG SER A 34 -17.985 0.766 -21.555 1.00 0.00 O ATOM 0 H SER A 34 -16.507 0.547 -17.799 1.00 0.00 H new ATOM 0 HA SER A 34 -15.472 0.810 -20.562 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.317 -0.826 -20.435 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.316 0.327 -19.572 1.00 0.00 H new ATOM 0 HG SER A 34 -18.788 0.283 -21.842 1.00 0.00 H new ATOM 477 N LEU A 35 -16.414 3.160 -20.858 1.00 0.00 N ATOM 478 CA LEU A 35 -16.647 4.600 -20.895 1.00 0.00 C ATOM 479 C LEU A 35 -17.461 4.988 -22.125 1.00 0.00 C ATOM 480 O LEU A 35 -17.648 4.184 -23.038 1.00 0.00 O ATOM 481 CB LEU A 35 -15.315 5.353 -20.893 1.00 0.00 C ATOM 482 CG LEU A 35 -14.307 4.930 -19.824 1.00 0.00 C ATOM 483 CD1 LEU A 35 -12.964 5.602 -20.061 1.00 0.00 C ATOM 484 CD2 LEU A 35 -14.833 5.259 -18.435 1.00 0.00 C ATOM 0 H LEU A 35 -16.145 2.753 -21.754 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.214 4.874 -20.005 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.850 5.231 -21.871 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.522 6.416 -20.769 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.167 3.851 -19.891 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.259 5.289 -19.290 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.581 5.315 -21.041 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.087 6.684 -20.022 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.103 4.951 -17.687 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.003 6.333 -18.355 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.771 4.729 -18.266 1.00 0.00 H new ATOM 496 N ASP A 36 -17.942 6.227 -22.143 1.00 0.00 N ATOM 497 CA ASP A 36 -18.734 6.723 -23.262 1.00 0.00 C ATOM 498 C ASP A 36 -17.832 7.224 -24.386 1.00 0.00 C ATOM 499 O ASP A 36 -18.290 7.890 -25.315 1.00 0.00 O ATOM 500 CB ASP A 36 -19.663 7.846 -22.799 1.00 0.00 C ATOM 501 CG ASP A 36 -20.494 7.450 -21.594 1.00 0.00 C ATOM 502 OD1 ASP A 36 -21.423 6.632 -21.758 1.00 0.00 O ATOM 503 OD2 ASP A 36 -20.216 7.959 -20.488 1.00 0.00 O ATOM 0 H ASP A 36 -17.797 6.906 -21.395 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.336 5.898 -23.643 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -19.069 8.727 -22.554 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.326 8.126 -23.618 1.00 0.00 H new ATOM 508 N CYS A 37 -16.547 6.899 -24.295 1.00 0.00 N ATOM 509 CA CYS A 37 -15.579 7.316 -25.303 1.00 0.00 C ATOM 510 C CYS A 37 -15.167 6.139 -26.182 1.00 0.00 C ATOM 511 O CYS A 37 -15.001 6.282 -27.392 1.00 0.00 O ATOM 512 CB CYS A 37 -14.345 7.924 -24.634 1.00 0.00 C ATOM 513 SG CYS A 37 -13.232 6.699 -23.872 1.00 0.00 S ATOM 0 H CYS A 37 -16.151 6.348 -23.533 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.051 8.070 -25.934 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.786 8.494 -25.376 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -14.670 8.629 -23.869 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.240 6.455 -24.676 1.00 0.00 H new ATOM 518 N GLY A 38 -15.003 4.973 -25.562 1.00 0.00 N ATOM 519 CA GLY A 38 -14.612 3.788 -26.302 1.00 0.00 C ATOM 520 C GLY A 38 -13.253 3.265 -25.883 1.00 0.00 C ATOM 521 O GLY A 38 -12.474 2.801 -26.717 1.00 0.00 O ATOM 0 H GLY A 38 -15.134 4.829 -24.561 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.359 3.008 -26.154 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.597 4.017 -27.367 1.00 0.00 H new ATOM 525 N HIS A 39 -12.964 3.342 -24.588 1.00 0.00 N ATOM 526 CA HIS A 39 -11.688 2.873 -24.060 1.00 0.00 C ATOM 527 C HIS A 39 -11.867 2.250 -22.679 1.00 0.00 C ATOM 528 O HIS A 39 -12.573 2.793 -21.829 1.00 0.00 O ATOM 529 CB HIS A 39 -10.688 4.028 -23.985 1.00 0.00 C ATOM 530 CG HIS A 39 -10.314 4.584 -25.325 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.589 5.880 -25.705 1.00 0.00 N ATOM 532 CD2 HIS A 39 -9.681 4.011 -26.375 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.143 6.081 -26.933 1.00 0.00 C ATOM 534 NE2 HIS A 39 -9.587 4.962 -27.362 1.00 0.00 N ATOM 0 H HIS A 39 -13.596 3.725 -23.885 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.302 2.110 -24.736 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.112 4.826 -23.375 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.786 3.685 -23.479 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.317 2.995 -26.427 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.220 7.003 -27.491 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.158 4.826 -28.277 1.00 0.00 H new ATOM 542 N SER A 40 -11.224 1.107 -22.462 1.00 0.00 N ATOM 543 CA SER A 40 -11.316 0.408 -21.186 1.00 0.00 C ATOM 544 C SER A 40 -10.081 0.673 -20.331 1.00 0.00 C ATOM 545 O SER A 40 -9.046 1.110 -20.834 1.00 0.00 O ATOM 546 CB SER A 40 -11.479 -1.096 -21.415 1.00 0.00 C ATOM 547 OG SER A 40 -12.179 -1.355 -22.620 1.00 0.00 O ATOM 0 H SER A 40 -10.634 0.645 -23.154 1.00 0.00 H new ATOM 0 HA SER A 40 -12.191 0.784 -20.656 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.498 -1.570 -21.451 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.016 -1.539 -20.576 1.00 0.00 H new ATOM 0 HG SER A 40 -12.269 -2.323 -22.745 1.00 0.00 H new ATOM 553 N PHE A 41 -10.198 0.405 -19.035 1.00 0.00 N ATOM 554 CA PHE A 41 -9.092 0.615 -18.108 1.00 0.00 C ATOM 555 C PHE A 41 -9.286 -0.204 -16.835 1.00 0.00 C ATOM 556 O PHE A 41 -10.262 -0.943 -16.701 1.00 0.00 O ATOM 557 CB PHE A 41 -8.967 2.099 -17.758 1.00 0.00 C ATOM 558 CG PHE A 41 -8.796 2.985 -18.958 1.00 0.00 C ATOM 559 CD1 PHE A 41 -9.886 3.334 -19.739 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.545 3.470 -19.306 1.00 0.00 C ATOM 561 CE1 PHE A 41 -9.731 4.149 -20.845 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.385 4.286 -20.410 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.479 4.626 -21.180 1.00 0.00 C ATOM 0 H PHE A 41 -11.048 0.042 -18.603 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.175 0.285 -18.596 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.856 2.411 -17.210 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.116 2.236 -17.091 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.868 2.965 -19.481 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.685 3.207 -18.707 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.588 4.412 -21.447 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.405 4.657 -20.670 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.356 5.264 -22.043 1.00 0.00 H new ATOM 573 N CYS A 42 -8.350 -0.068 -15.902 1.00 0.00 N ATOM 574 CA CYS A 42 -8.415 -0.795 -14.640 1.00 0.00 C ATOM 575 C CYS A 42 -9.167 0.012 -13.586 1.00 0.00 C ATOM 576 O CYS A 42 -9.036 1.233 -13.515 1.00 0.00 O ATOM 577 CB CYS A 42 -7.006 -1.119 -14.141 1.00 0.00 C ATOM 578 SG CYS A 42 -6.048 -2.191 -15.260 1.00 0.00 S ATOM 0 H CYS A 42 -7.536 0.540 -15.996 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.955 -1.726 -14.813 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.461 -0.187 -13.994 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.079 -1.602 -13.167 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.507 -1.468 -16.195 1.00 0.00 H new ATOM 583 N GLN A 43 -9.955 -0.681 -12.769 1.00 0.00 N ATOM 584 CA GLN A 43 -10.728 -0.029 -11.719 1.00 0.00 C ATOM 585 C GLN A 43 -9.821 0.783 -10.800 1.00 0.00 C ATOM 586 O GLN A 43 -10.276 1.695 -10.111 1.00 0.00 O ATOM 587 CB GLN A 43 -11.501 -1.068 -10.906 1.00 0.00 C ATOM 588 CG GLN A 43 -12.223 -0.484 -9.702 1.00 0.00 C ATOM 589 CD GLN A 43 -13.460 0.303 -10.088 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.552 -0.254 -10.208 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.295 1.606 -10.286 1.00 0.00 N ATOM 0 H GLN A 43 -10.074 -1.693 -12.814 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.436 0.651 -12.192 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.229 -1.556 -11.554 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.810 -1.839 -10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.507 -1.291 -9.027 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.540 0.165 -9.154 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.372 2.026 -10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.091 2.187 -10.549 1.00 0.00 H new ATOM 600 N ALA A 44 -8.536 0.443 -10.794 1.00 0.00 N ATOM 601 CA ALA A 44 -7.565 1.141 -9.960 1.00 0.00 C ATOM 602 C ALA A 44 -6.836 2.220 -10.753 1.00 0.00 C ATOM 603 O ALA A 44 -6.756 3.372 -10.325 1.00 0.00 O ATOM 604 CB ALA A 44 -6.570 0.153 -9.370 1.00 0.00 C ATOM 0 H ALA A 44 -8.143 -0.311 -11.357 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.104 1.627 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.851 0.688 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.101 -0.579 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.044 -0.359 -10.176 1.00 0.00 H new ATOM 610 N CYS A 45 -6.304 1.840 -11.910 1.00 0.00 N ATOM 611 CA CYS A 45 -5.579 2.774 -12.763 1.00 0.00 C ATOM 612 C CYS A 45 -6.415 4.022 -13.035 1.00 0.00 C ATOM 613 O CYS A 45 -5.904 5.142 -13.008 1.00 0.00 O ATOM 614 CB CYS A 45 -5.200 2.102 -14.084 1.00 0.00 C ATOM 615 SG CYS A 45 -4.026 0.721 -13.905 1.00 0.00 S ATOM 0 H CYS A 45 -6.362 0.891 -12.279 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.670 3.073 -12.242 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.106 1.734 -14.566 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.767 2.850 -14.748 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.490 -0.326 -14.520 1.00 0.00 H new ATOM 620 N LEU A 46 -7.701 3.820 -13.298 1.00 0.00 N ATOM 621 CA LEU A 46 -8.608 4.928 -13.576 1.00 0.00 C ATOM 622 C LEU A 46 -8.690 5.876 -12.384 1.00 0.00 C ATOM 623 O LEU A 46 -8.641 7.097 -12.543 1.00 0.00 O ATOM 624 CB LEU A 46 -10.002 4.398 -13.917 1.00 0.00 C ATOM 625 CG LEU A 46 -10.288 4.166 -15.401 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.393 3.136 -15.578 1.00 0.00 C ATOM 627 CD2 LEU A 46 -10.662 5.474 -16.083 1.00 0.00 C ATOM 0 H LEU A 46 -8.139 2.899 -13.325 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.217 5.480 -14.430 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.150 3.457 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.740 5.101 -13.531 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.382 3.781 -15.869 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.582 2.984 -16.641 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.087 2.193 -15.126 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.303 3.492 -15.095 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.862 5.290 -17.139 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.553 5.888 -15.612 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.839 6.182 -15.988 1.00 0.00 H new ATOM 639 N THR A 47 -8.812 5.308 -11.189 1.00 0.00 N ATOM 640 CA THR A 47 -8.899 6.102 -9.970 1.00 0.00 C ATOM 641 C THR A 47 -7.664 6.979 -9.796 1.00 0.00 C ATOM 642 O THR A 47 -7.763 8.126 -9.360 1.00 0.00 O ATOM 643 CB THR A 47 -9.057 5.207 -8.726 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.344 4.579 -8.735 1.00 0.00 O ATOM 645 CG2 THR A 47 -8.892 6.019 -7.450 1.00 0.00 C ATOM 0 H THR A 47 -8.853 4.300 -11.039 1.00 0.00 H new ATOM 0 HA THR A 47 -9.781 6.735 -10.068 1.00 0.00 H new ATOM 0 HB THR A 47 -8.280 4.443 -8.754 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.277 3.701 -9.166 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.008 5.366 -6.585 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.901 6.472 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.649 6.802 -7.417 1.00 0.00 H new ATOM 653 N ALA A 48 -6.503 6.433 -10.141 1.00 0.00 N ATOM 654 CA ALA A 48 -5.249 7.168 -10.025 1.00 0.00 C ATOM 655 C ALA A 48 -5.057 8.114 -11.206 1.00 0.00 C ATOM 656 O ALA A 48 -4.354 9.119 -11.100 1.00 0.00 O ATOM 657 CB ALA A 48 -4.078 6.202 -9.924 1.00 0.00 C ATOM 0 H ALA A 48 -6.404 5.485 -10.503 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.290 7.767 -9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.148 6.765 -9.838 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.202 5.570 -9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.043 5.578 -10.817 1.00 0.00 H new ATOM 663 N ASN A 49 -5.685 7.786 -12.330 1.00 0.00 N ATOM 664 CA ASN A 49 -5.581 8.606 -13.531 1.00 0.00 C ATOM 665 C ASN A 49 -6.560 9.775 -13.477 1.00 0.00 C ATOM 666 O ASN A 49 -6.350 10.805 -14.119 1.00 0.00 O ATOM 667 CB ASN A 49 -5.849 7.759 -14.777 1.00 0.00 C ATOM 668 CG ASN A 49 -5.465 8.476 -16.057 1.00 0.00 C ATOM 669 OD1 ASN A 49 -4.310 8.440 -16.479 1.00 0.00 O ATOM 670 ND2 ASN A 49 -6.436 9.133 -16.681 1.00 0.00 N ATOM 0 H ASN A 49 -6.271 6.958 -12.434 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.568 9.005 -13.582 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.291 6.825 -14.705 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.906 7.496 -14.814 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.238 9.635 -17.547 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.380 9.136 -16.295 1.00 0.00 H new ATOM 677 N HIS A 50 -7.630 9.609 -12.707 1.00 0.00 N ATOM 678 CA HIS A 50 -8.642 10.651 -12.568 1.00 0.00 C ATOM 679 C HIS A 50 -8.271 11.622 -11.450 1.00 0.00 C ATOM 680 O HIS A 50 -8.375 12.838 -11.610 1.00 0.00 O ATOM 681 CB HIS A 50 -10.010 10.029 -12.286 1.00 0.00 C ATOM 682 CG HIS A 50 -10.631 9.381 -13.485 1.00 0.00 C ATOM 683 ND1 HIS A 50 -11.762 8.595 -13.415 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.274 9.408 -14.791 1.00 0.00 C ATOM 685 CE1 HIS A 50 -12.072 8.165 -14.625 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.185 8.644 -15.478 1.00 0.00 N ATOM 0 H HIS A 50 -7.819 8.763 -12.169 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.690 11.204 -13.506 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.906 9.287 -11.495 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.681 10.802 -11.912 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.430 9.933 -15.214 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.909 7.530 -14.874 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.178 8.474 -16.484 1.00 0.00 H new ATOM 694 N LYS A 51 -7.840 11.076 -10.318 1.00 0.00 N ATOM 695 CA LYS A 51 -7.454 11.893 -9.173 1.00 0.00 C ATOM 696 C LYS A 51 -6.220 12.730 -9.493 1.00 0.00 C ATOM 697 O LYS A 51 -6.091 13.865 -9.036 1.00 0.00 O ATOM 698 CB LYS A 51 -7.180 11.005 -7.957 1.00 0.00 C ATOM 699 CG LYS A 51 -5.793 10.385 -7.956 1.00 0.00 C ATOM 700 CD LYS A 51 -5.502 9.671 -6.647 1.00 0.00 C ATOM 701 CE LYS A 51 -4.176 8.929 -6.700 1.00 0.00 C ATOM 702 NZ LYS A 51 -3.019 9.845 -6.497 1.00 0.00 N ATOM 0 H LYS A 51 -7.749 10.071 -10.169 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.279 12.568 -8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.305 11.597 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.924 10.209 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.708 9.680 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.046 11.162 -8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.483 10.395 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.305 8.967 -6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.163 8.153 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.078 8.428 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.134 9.301 -6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.016 10.571 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.098 10.304 -5.567 1.00 0.00 H new ATOM 716 N LYS A 52 -5.314 12.162 -10.283 1.00 0.00 N ATOM 717 CA LYS A 52 -4.091 12.856 -10.668 1.00 0.00 C ATOM 718 C LYS A 52 -4.393 14.283 -11.114 1.00 0.00 C ATOM 719 O LYS A 52 -3.992 15.246 -10.460 1.00 0.00 O ATOM 720 CB LYS A 52 -3.382 12.098 -11.792 1.00 0.00 C ATOM 721 CG LYS A 52 -2.445 12.966 -12.614 1.00 0.00 C ATOM 722 CD LYS A 52 -1.422 13.668 -11.737 1.00 0.00 C ATOM 723 CE LYS A 52 -0.163 14.014 -12.516 1.00 0.00 C ATOM 724 NZ LYS A 52 0.460 12.807 -13.128 1.00 0.00 N ATOM 0 H LYS A 52 -5.404 11.222 -10.669 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.437 12.897 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.815 11.273 -11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.131 11.660 -12.452 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.931 12.350 -13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.024 13.708 -13.164 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.858 14.578 -11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.164 13.028 -10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.406 14.733 -13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.554 14.496 -11.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.489 12.943 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.259 11.975 -12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.068 12.659 -14.080 1.00 0.00 H new ATOM 738 N SER A 53 -5.102 14.412 -12.231 1.00 0.00 N ATOM 739 CA SER A 53 -5.455 15.721 -12.766 1.00 0.00 C ATOM 740 C SER A 53 -5.994 16.630 -11.665 1.00 0.00 C ATOM 741 O SER A 53 -5.659 17.813 -11.602 1.00 0.00 O ATOM 742 CB SER A 53 -6.494 15.578 -13.879 1.00 0.00 C ATOM 743 OG SER A 53 -7.547 14.715 -13.486 1.00 0.00 O ATOM 0 H SER A 53 -5.443 13.625 -12.783 1.00 0.00 H new ATOM 0 HA SER A 53 -4.553 16.173 -13.178 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.898 16.558 -14.132 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.017 15.189 -14.778 1.00 0.00 H new ATOM 0 HG SER A 53 -8.231 15.230 -13.009 1.00 0.00 H new ATOM 749 N MET A 54 -6.831 16.068 -10.800 1.00 0.00 N ATOM 750 CA MET A 54 -7.417 16.826 -9.700 1.00 0.00 C ATOM 751 C MET A 54 -6.369 17.711 -9.032 1.00 0.00 C ATOM 752 O MET A 54 -6.678 18.805 -8.557 1.00 0.00 O ATOM 753 CB MET A 54 -8.033 15.879 -8.670 1.00 0.00 C ATOM 754 CG MET A 54 -9.234 16.466 -7.945 1.00 0.00 C ATOM 755 SD MET A 54 -10.525 17.019 -9.076 1.00 0.00 S ATOM 756 CE MET A 54 -11.035 15.460 -9.795 1.00 0.00 C ATOM 0 H MET A 54 -7.119 15.090 -10.839 1.00 0.00 H new ATOM 0 HA MET A 54 -8.200 17.465 -10.108 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.335 14.959 -9.170 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.273 15.609 -7.937 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.646 15.718 -7.267 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.909 17.307 -7.332 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.971 15.598 -10.336 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.267 15.108 -10.483 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.178 14.724 -9.004 1.00 0.00 H new ATOM 766 N LEU A 55 -5.131 17.232 -8.998 1.00 0.00 N ATOM 767 CA LEU A 55 -4.037 17.980 -8.387 1.00 0.00 C ATOM 768 C LEU A 55 -3.675 19.199 -9.229 1.00 0.00 C ATOM 769 O LEU A 55 -3.331 20.254 -8.696 1.00 0.00 O ATOM 770 CB LEU A 55 -2.812 17.081 -8.217 1.00 0.00 C ATOM 771 CG LEU A 55 -2.785 16.214 -6.957 1.00 0.00 C ATOM 772 CD1 LEU A 55 -3.519 14.904 -7.194 1.00 0.00 C ATOM 773 CD2 LEU A 55 -1.351 15.953 -6.520 1.00 0.00 C ATOM 0 H LEU A 55 -4.859 16.329 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.367 18.324 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.743 16.426 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.922 17.710 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.295 16.752 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.489 14.301 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.556 15.111 -7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.039 14.360 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.351 15.335 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.816 15.436 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.857 16.901 -6.308 1.00 0.00 H new ATOM 785 N ASP A 56 -3.756 19.047 -10.546 1.00 0.00 N ATOM 786 CA ASP A 56 -3.439 20.137 -11.462 1.00 0.00 C ATOM 787 C ASP A 56 -4.565 20.344 -12.470 1.00 0.00 C ATOM 788 O ASP A 56 -5.236 21.376 -12.465 1.00 0.00 O ATOM 789 CB ASP A 56 -2.128 19.851 -12.195 1.00 0.00 C ATOM 790 CG ASP A 56 -1.601 21.065 -12.935 1.00 0.00 C ATOM 791 OD1 ASP A 56 -1.034 21.962 -12.276 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.756 21.119 -14.173 1.00 0.00 O ATOM 0 H ASP A 56 -4.038 18.180 -11.003 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.327 21.050 -10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.380 19.514 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.281 19.036 -12.903 1.00 0.00 H new ATOM 797 N LYS A 57 -4.767 19.356 -13.335 1.00 0.00 N ATOM 798 CA LYS A 57 -5.811 19.428 -14.350 1.00 0.00 C ATOM 799 C LYS A 57 -7.179 19.130 -13.745 1.00 0.00 C ATOM 800 O LYS A 57 -7.999 18.440 -14.349 1.00 0.00 O ATOM 801 CB LYS A 57 -5.518 18.442 -15.484 1.00 0.00 C ATOM 802 CG LYS A 57 -4.239 18.751 -16.242 1.00 0.00 C ATOM 803 CD LYS A 57 -3.610 17.490 -16.811 1.00 0.00 C ATOM 804 CE LYS A 57 -2.533 17.816 -17.835 1.00 0.00 C ATOM 805 NZ LYS A 57 -3.114 18.120 -19.172 1.00 0.00 N ATOM 0 H LYS A 57 -4.221 18.495 -13.353 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.823 20.441 -14.752 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.452 17.435 -15.071 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.355 18.446 -16.183 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.454 19.449 -17.051 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.530 19.244 -15.576 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.178 16.901 -16.002 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.381 16.876 -17.276 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.950 18.670 -17.490 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.846 16.974 -17.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.349 18.337 -19.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.650 17.296 -19.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.750 18.939 -19.096 1.00 0.00 H new ATOM 819 N GLY A 58 -7.419 19.658 -12.548 1.00 0.00 N ATOM 820 CA GLY A 58 -8.690 19.438 -11.882 1.00 0.00 C ATOM 821 C GLY A 58 -9.451 18.261 -12.459 1.00 0.00 C ATOM 822 O GLY A 58 -9.188 17.112 -12.107 1.00 0.00 O ATOM 0 H GLY A 58 -6.757 20.234 -12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.515 19.268 -10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.300 20.337 -11.965 1.00 0.00 H new ATOM 826 N GLU A 59 -10.399 18.548 -13.346 1.00 0.00 N ATOM 827 CA GLU A 59 -11.202 17.503 -13.970 1.00 0.00 C ATOM 828 C GLU A 59 -10.329 16.574 -14.808 1.00 0.00 C ATOM 829 O GLU A 59 -9.486 17.027 -15.582 1.00 0.00 O ATOM 830 CB GLU A 59 -12.294 18.122 -14.845 1.00 0.00 C ATOM 831 CG GLU A 59 -11.756 19.030 -15.939 1.00 0.00 C ATOM 832 CD GLU A 59 -11.592 20.465 -15.478 1.00 0.00 C ATOM 833 OE1 GLU A 59 -10.530 20.788 -14.907 1.00 0.00 O ATOM 834 OE2 GLU A 59 -12.528 21.265 -15.688 1.00 0.00 O ATOM 0 H GLU A 59 -10.629 19.495 -13.648 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.670 16.918 -13.178 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.878 17.323 -15.302 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.974 18.693 -14.213 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.793 18.650 -16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.431 19.002 -16.794 1.00 0.00 H new ATOM 841 N SER A 60 -10.538 15.271 -14.648 1.00 0.00 N ATOM 842 CA SER A 60 -9.768 14.277 -15.386 1.00 0.00 C ATOM 843 C SER A 60 -10.235 14.194 -16.836 1.00 0.00 C ATOM 844 O SER A 60 -11.134 14.925 -17.253 1.00 0.00 O ATOM 845 CB SER A 60 -9.893 12.905 -14.719 1.00 0.00 C ATOM 846 OG SER A 60 -11.195 12.373 -14.888 1.00 0.00 O ATOM 0 H SER A 60 -11.234 14.879 -14.014 1.00 0.00 H new ATOM 0 HA SER A 60 -8.722 14.584 -15.376 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.159 12.221 -15.146 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.667 12.992 -13.656 1.00 0.00 H new ATOM 0 HG SER A 60 -11.478 11.932 -14.060 1.00 0.00 H new ATOM 852 N SER A 61 -9.618 13.298 -17.600 1.00 0.00 N ATOM 853 CA SER A 61 -9.968 13.122 -19.005 1.00 0.00 C ATOM 854 C SER A 61 -9.291 11.882 -19.581 1.00 0.00 C ATOM 855 O SER A 61 -8.095 11.665 -19.385 1.00 0.00 O ATOM 856 CB SER A 61 -9.565 14.358 -19.812 1.00 0.00 C ATOM 857 OG SER A 61 -10.594 15.332 -19.799 1.00 0.00 O ATOM 0 H SER A 61 -8.874 12.683 -17.270 1.00 0.00 H new ATOM 0 HA SER A 61 -11.048 12.990 -19.072 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.651 14.784 -19.399 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.346 14.070 -20.840 1.00 0.00 H new ATOM 0 HG SER A 61 -10.912 15.460 -18.881 1.00 0.00 H new ATOM 863 N CYS A 62 -10.066 11.070 -20.293 1.00 0.00 N ATOM 864 CA CYS A 62 -9.544 9.851 -20.898 1.00 0.00 C ATOM 865 C CYS A 62 -8.085 10.027 -21.307 1.00 0.00 C ATOM 866 O CYS A 62 -7.745 10.868 -22.140 1.00 0.00 O ATOM 867 CB CYS A 62 -10.383 9.462 -22.118 1.00 0.00 C ATOM 868 SG CYS A 62 -10.002 7.811 -22.787 1.00 0.00 S ATOM 0 H CYS A 62 -11.058 11.235 -20.465 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.601 9.055 -20.156 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -11.438 9.498 -21.846 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -10.231 10.204 -22.902 1.00 0.00 H new ATOM 0 HG CYS A 62 -11.093 7.260 -23.230 1.00 0.00 H new ATOM 873 N PRO A 63 -7.200 9.216 -20.708 1.00 0.00 N ATOM 874 CA PRO A 63 -5.763 9.263 -20.993 1.00 0.00 C ATOM 875 C PRO A 63 -5.433 8.751 -22.391 1.00 0.00 C ATOM 876 O PRO A 63 -4.266 8.665 -22.773 1.00 0.00 O ATOM 877 CB PRO A 63 -5.160 8.342 -19.930 1.00 0.00 C ATOM 878 CG PRO A 63 -6.261 7.404 -19.573 1.00 0.00 C ATOM 879 CD PRO A 63 -7.535 8.191 -19.705 1.00 0.00 C ATOM 0 HA PRO A 63 -5.375 10.281 -20.964 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.293 7.806 -20.316 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.824 8.907 -19.061 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.267 6.539 -20.236 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.139 7.027 -18.558 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.363 7.563 -20.033 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.831 8.639 -18.756 1.00 0.00 H new ATOM 887 N VAL A 64 -6.469 8.412 -23.152 1.00 0.00 N ATOM 888 CA VAL A 64 -6.289 7.910 -24.509 1.00 0.00 C ATOM 889 C VAL A 64 -6.767 8.927 -25.539 1.00 0.00 C ATOM 890 O VAL A 64 -6.071 9.215 -26.513 1.00 0.00 O ATOM 891 CB VAL A 64 -7.046 6.585 -24.722 1.00 0.00 C ATOM 892 CG1 VAL A 64 -6.937 6.135 -26.171 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.517 5.513 -23.782 1.00 0.00 C ATOM 0 H VAL A 64 -7.442 8.476 -22.852 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.221 7.736 -24.643 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.100 6.748 -24.495 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.478 5.198 -26.303 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.367 6.896 -26.822 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.888 5.988 -26.428 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.063 4.584 -23.946 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.457 5.350 -23.976 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.652 5.836 -22.750 1.00 0.00 H new ATOM 903 N CYS A 65 -7.960 9.469 -25.318 1.00 0.00 N ATOM 904 CA CYS A 65 -8.533 10.455 -26.227 1.00 0.00 C ATOM 905 C CYS A 65 -8.845 11.755 -25.492 1.00 0.00 C ATOM 906 O CYS A 65 -9.106 12.785 -26.114 1.00 0.00 O ATOM 907 CB CYS A 65 -9.805 9.904 -26.874 1.00 0.00 C ATOM 908 SG CYS A 65 -11.139 9.529 -25.691 1.00 0.00 S ATOM 0 H CYS A 65 -8.549 9.242 -24.517 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.799 10.665 -27.005 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.172 10.627 -27.602 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.556 8.997 -27.424 1.00 0.00 H new ATOM 0 HG CYS A 65 -10.649 8.884 -24.674 1.00 0.00 H new ATOM 913 N ARG A 66 -8.817 11.699 -24.164 1.00 0.00 N ATOM 914 CA ARG A 66 -9.098 12.872 -23.344 1.00 0.00 C ATOM 915 C ARG A 66 -10.408 13.530 -23.768 1.00 0.00 C ATOM 916 O ARG A 66 -10.445 14.724 -24.068 1.00 0.00 O ATOM 917 CB ARG A 66 -7.951 13.879 -23.447 1.00 0.00 C ATOM 918 CG ARG A 66 -6.718 13.480 -22.654 1.00 0.00 C ATOM 919 CD ARG A 66 -5.777 12.619 -23.482 1.00 0.00 C ATOM 920 NE ARG A 66 -4.382 12.800 -23.092 1.00 0.00 N ATOM 921 CZ ARG A 66 -3.358 12.294 -23.769 1.00 0.00 C ATOM 922 NH1 ARG A 66 -3.572 11.580 -24.866 1.00 0.00 N ATOM 923 NH2 ARG A 66 -2.116 12.503 -23.351 1.00 0.00 N ATOM 0 H ARG A 66 -8.603 10.855 -23.633 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.194 12.546 -22.308 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.676 13.998 -24.495 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.299 14.851 -23.097 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.194 14.375 -22.319 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.020 12.935 -21.760 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.052 11.570 -23.369 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.893 12.867 -24.537 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.183 13.345 -22.253 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.525 11.418 -25.192 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.784 11.192 -25.384 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.947 13.053 -22.509 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.330 12.114 -23.872 1.00 0.00 H new ATOM 937 N ILE A 67 -11.479 12.745 -23.790 1.00 0.00 N ATOM 938 CA ILE A 67 -12.790 13.252 -24.176 1.00 0.00 C ATOM 939 C ILE A 67 -13.499 13.901 -22.992 1.00 0.00 C ATOM 940 O ILE A 67 -13.121 13.693 -21.839 1.00 0.00 O ATOM 941 CB ILE A 67 -13.682 12.132 -24.743 1.00 0.00 C ATOM 942 CG1 ILE A 67 -14.853 12.730 -25.526 1.00 0.00 C ATOM 943 CG2 ILE A 67 -14.190 11.240 -23.620 1.00 0.00 C ATOM 944 CD1 ILE A 67 -15.483 11.763 -26.504 1.00 0.00 C ATOM 0 H ILE A 67 -11.465 11.755 -23.545 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.623 14.000 -24.951 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.087 11.523 -25.424 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -15.613 13.070 -24.823 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -14.505 13.609 -26.069 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -14.819 10.453 -24.037 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.343 10.791 -23.101 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -14.772 11.836 -22.917 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -16.306 12.255 -27.023 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -14.736 11.442 -27.230 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -15.862 10.895 -25.964 1.00 0.00 H new ATOM 956 N SER A 68 -14.530 14.687 -23.285 1.00 0.00 N ATOM 957 CA SER A 68 -15.291 15.369 -22.245 1.00 0.00 C ATOM 958 C SER A 68 -16.269 14.411 -21.572 1.00 0.00 C ATOM 959 O SER A 68 -17.235 13.959 -22.186 1.00 0.00 O ATOM 960 CB SER A 68 -16.050 16.558 -22.836 1.00 0.00 C ATOM 961 OG SER A 68 -17.203 16.129 -23.541 1.00 0.00 O ATOM 0 H SER A 68 -14.857 14.867 -24.234 1.00 0.00 H new ATOM 0 HA SER A 68 -14.589 15.732 -21.494 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.341 17.240 -22.038 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.395 17.114 -23.507 1.00 0.00 H new ATOM 0 HG SER A 68 -17.477 15.247 -23.214 1.00 0.00 H new ATOM 967 N TYR A 69 -16.010 14.106 -20.305 1.00 0.00 N ATOM 968 CA TYR A 69 -16.865 13.200 -19.547 1.00 0.00 C ATOM 969 C TYR A 69 -16.550 13.274 -18.056 1.00 0.00 C ATOM 970 O TYR A 69 -15.458 13.681 -17.661 1.00 0.00 O ATOM 971 CB TYR A 69 -16.691 11.765 -20.045 1.00 0.00 C ATOM 972 CG TYR A 69 -15.508 11.050 -19.432 1.00 0.00 C ATOM 973 CD1 TYR A 69 -14.328 11.729 -19.154 1.00 0.00 C ATOM 974 CD2 TYR A 69 -15.571 9.695 -19.129 1.00 0.00 C ATOM 975 CE1 TYR A 69 -13.245 11.079 -18.595 1.00 0.00 C ATOM 976 CE2 TYR A 69 -14.494 9.037 -18.568 1.00 0.00 C ATOM 977 CZ TYR A 69 -13.333 9.734 -18.303 1.00 0.00 C ATOM 978 OH TYR A 69 -12.256 9.083 -17.744 1.00 0.00 O ATOM 0 H TYR A 69 -15.215 14.473 -19.782 1.00 0.00 H new ATOM 0 HA TYR A 69 -17.900 13.507 -19.697 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.598 11.201 -19.827 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.576 11.777 -21.129 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -14.256 12.783 -19.379 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.478 9.147 -19.336 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.334 11.621 -18.388 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.560 7.984 -18.338 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.058 9.472 -16.867 1.00 0.00 H new ATOM 988 N GLN A 70 -17.516 12.878 -17.234 1.00 0.00 N ATOM 989 CA GLN A 70 -17.343 12.899 -15.786 1.00 0.00 C ATOM 990 C GLN A 70 -17.383 11.486 -15.212 1.00 0.00 C ATOM 991 O GLN A 70 -18.254 10.681 -15.541 1.00 0.00 O ATOM 992 CB GLN A 70 -18.428 13.757 -15.134 1.00 0.00 C ATOM 993 CG GLN A 70 -18.121 15.246 -15.157 1.00 0.00 C ATOM 994 CD GLN A 70 -19.098 16.056 -14.328 1.00 0.00 C ATOM 995 OE1 GLN A 70 -18.797 16.448 -13.200 1.00 0.00 O ATOM 996 NE2 GLN A 70 -20.277 16.312 -14.883 1.00 0.00 N ATOM 0 H GLN A 70 -18.426 12.539 -17.545 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.367 13.333 -15.569 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.375 13.582 -15.645 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -18.560 13.437 -14.100 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.110 15.410 -14.784 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.142 15.602 -16.187 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -20.485 15.968 -15.820 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -20.975 16.853 -14.372 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.418 11.176 -14.334 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.321 9.860 -13.696 1.00 0.00 C ATOM 1007 C PRO A 71 -17.445 9.617 -12.695 1.00 0.00 C ATOM 1008 O PRO A 71 -18.012 8.526 -12.638 1.00 0.00 O ATOM 1009 CB PRO A 71 -14.969 9.912 -12.980 1.00 0.00 C ATOM 1010 CG PRO A 71 -14.725 11.361 -12.736 1.00 0.00 C ATOM 1011 CD PRO A 71 -15.347 12.087 -13.896 1.00 0.00 C ATOM 0 HA PRO A 71 -16.405 9.049 -14.419 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.994 9.352 -12.045 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.180 9.475 -13.592 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.170 11.678 -11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.657 11.571 -12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.742 13.058 -13.597 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.624 12.269 -14.691 1.00 0.00 H new ATOM 1019 N GLU A 72 -17.762 10.640 -11.908 1.00 0.00 N ATOM 1020 CA GLU A 72 -18.819 10.536 -10.909 1.00 0.00 C ATOM 1021 C GLU A 72 -19.966 9.669 -11.419 1.00 0.00 C ATOM 1022 O GLU A 72 -20.384 8.721 -10.756 1.00 0.00 O ATOM 1023 CB GLU A 72 -19.341 11.926 -10.539 1.00 0.00 C ATOM 1024 CG GLU A 72 -20.020 11.980 -9.181 1.00 0.00 C ATOM 1025 CD GLU A 72 -19.962 13.360 -8.554 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -20.015 14.356 -9.305 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -19.864 13.443 -7.312 1.00 0.00 O ATOM 0 H GLU A 72 -17.302 11.550 -11.943 1.00 0.00 H new ATOM 0 HA GLU A 72 -18.398 10.066 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.510 12.631 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.047 12.255 -11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.062 11.677 -9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.546 11.261 -8.513 1.00 0.00 H new ATOM 1034 N ASN A 73 -20.472 10.003 -12.602 1.00 0.00 N ATOM 1035 CA ASN A 73 -21.572 9.256 -13.201 1.00 0.00 C ATOM 1036 C ASN A 73 -21.137 7.837 -13.555 1.00 0.00 C ATOM 1037 O ASN A 73 -21.706 6.862 -13.063 1.00 0.00 O ATOM 1038 CB ASN A 73 -22.079 9.973 -14.454 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.666 11.337 -14.143 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -23.659 11.448 -13.424 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -22.052 12.382 -14.684 1.00 0.00 N ATOM 0 H ASN A 73 -20.138 10.786 -13.164 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.379 9.198 -12.471 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -21.258 10.087 -15.161 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -22.836 9.357 -14.940 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -22.401 13.325 -14.510 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -21.232 12.242 -15.274 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.126 7.730 -14.410 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.614 6.431 -14.827 1.00 0.00 C ATOM 1050 C ILE A 74 -19.650 5.430 -13.677 1.00 0.00 C ATOM 1051 O ILE A 74 -19.468 5.796 -12.516 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.170 6.537 -15.354 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.118 7.451 -16.581 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.626 5.157 -15.691 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -16.725 7.940 -16.911 1.00 0.00 C ATOM 0 H ILE A 74 -19.645 8.527 -14.827 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.261 6.081 -15.631 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.545 6.971 -14.574 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.519 6.915 -17.441 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.766 8.311 -16.411 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.605 5.249 -16.062 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.632 4.535 -14.796 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.250 4.697 -16.457 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.764 8.582 -17.791 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.328 8.504 -16.067 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.078 7.086 -17.113 1.00 0.00 H new ATOM 1067 N ARG A 75 -19.886 4.165 -14.009 1.00 0.00 N ATOM 1068 CA ARG A 75 -19.946 3.110 -13.004 1.00 0.00 C ATOM 1069 C ARG A 75 -19.699 1.743 -13.635 1.00 0.00 C ATOM 1070 O ARG A 75 -20.007 1.506 -14.803 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.305 3.122 -12.302 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.445 2.621 -13.175 1.00 0.00 C ATOM 1073 CD ARG A 75 -23.761 3.289 -12.808 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.831 2.938 -13.739 1.00 0.00 N ATOM 1075 CZ ARG A 75 -25.516 1.801 -13.676 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -25.244 0.911 -12.732 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -26.475 1.554 -14.559 1.00 0.00 N ATOM 0 H ARG A 75 -20.039 3.846 -14.966 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.163 3.298 -12.269 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.247 2.505 -11.405 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.527 4.138 -11.976 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.216 2.817 -14.223 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.541 1.541 -13.066 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.048 2.995 -11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.628 4.371 -12.799 1.00 0.00 H new ATOM 0 HE ARG A 75 -25.065 3.602 -14.477 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.507 1.098 -12.052 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -25.771 0.039 -12.686 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -26.687 2.237 -15.286 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.001 0.681 -14.510 1.00 0.00 H new