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= -6.23! C(o=-6.2!,f=-7.7!) USER MOD Set 1.2: A 69 TYR OH : rot 30:sc= -0.0069 USER MOD Set 2.1: A 54 MET CE :methyl -106:sc= -4.66 (180deg=-9.38!) USER MOD Set 2.2: A 60 SER OG : rot 100:sc= 0 USER MOD Set 3.1: A 37 CYS SG : rot 101:sc= 0.25 USER MOD Set 3.2: A 39 HIS : no HD1:sc= -2.23! K(o=-0.74!,f=-2.6) USER MOD Set 3.3: A 62 CYS SG : rot 151:sc= 0.849 USER MOD Set 3.4: A 65 CYS SG : rot -45:sc= 0.39 USER MOD Set 4.1: A 22 CYS SG : rot 94:sc= 0.421! USER MOD Set 4.2: A 25 CYS SG : rot -55:sc= -0.784 USER MOD Set 4.3: A 42 CYS SG : rot 82:sc= -1.22! USER MOD Set 4.4: A 45 CYS SG : rot 128:sc= -1.04 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) 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= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 47 THR OG1 : rot 86:sc= 0.00954 USER MOD Single : A 49 ASN : amide:sc= -2.67 X(o=-2.7,f=-3.1!) 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 57 LYS NZ :NH3+ 177:sc= -0.262 (180deg=-0.299) USER MOD Single : A 61 SER OG : rot 8:sc= 1.18 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 73 ASN : amide:sc= -0.043 K(o=-0.043,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.978 -8.976 -26.554 1.00 0.00 N ATOM 233 CA GLU A 19 -5.977 -7.903 -27.540 1.00 0.00 C ATOM 234 C GLU A 19 -6.141 -6.544 -26.865 1.00 0.00 C ATOM 235 O GLU A 19 -5.500 -5.566 -27.250 1.00 0.00 O ATOM 236 CB GLU A 19 -7.097 -8.116 -28.560 1.00 0.00 C ATOM 237 CG GLU A 19 -8.488 -8.100 -27.949 1.00 0.00 C ATOM 238 CD GLU A 19 -9.535 -8.708 -28.863 1.00 0.00 C ATOM 239 OE1 GLU A 19 -9.505 -9.940 -29.063 1.00 0.00 O ATOM 240 OE2 GLU A 19 -10.383 -7.950 -29.378 1.00 0.00 O ATOM 0 HA GLU A 19 -5.017 -7.920 -28.056 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.035 -7.339 -29.322 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.942 -9.070 -29.064 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.473 -8.647 -27.006 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.767 -7.072 -27.717 1.00 0.00 H new ATOM 247 N VAL A 20 -7.004 -6.491 -25.856 1.00 0.00 N ATOM 248 CA VAL A 20 -7.253 -5.253 -25.127 1.00 0.00 C ATOM 249 C VAL A 20 -6.134 -4.967 -24.132 1.00 0.00 C ATOM 250 O VAL A 20 -5.786 -5.816 -23.311 1.00 0.00 O ATOM 251 CB VAL A 20 -8.595 -5.306 -24.372 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.940 -3.940 -23.799 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.702 -5.804 -25.289 1.00 0.00 C ATOM 0 H VAL A 20 -7.543 -7.291 -25.525 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.292 -4.453 -25.866 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.498 -6.007 -23.543 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.891 -3.997 -23.269 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.158 -3.627 -23.107 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.019 -3.215 -24.609 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.643 -5.835 -24.740 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.801 -5.130 -26.140 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.457 -6.804 -25.646 1.00 0.00 H new ATOM 263 N THR A 21 -5.573 -3.765 -24.210 1.00 0.00 N ATOM 264 CA THR A 21 -4.492 -3.366 -23.317 1.00 0.00 C ATOM 265 C THR A 21 -4.814 -2.050 -22.618 1.00 0.00 C ATOM 266 O THR A 21 -5.486 -1.185 -23.180 1.00 0.00 O ATOM 267 CB THR A 21 -3.161 -3.218 -24.078 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.924 -4.380 -24.881 1.00 0.00 O ATOM 269 CG2 THR A 21 -2.004 -3.020 -23.110 1.00 0.00 C ATOM 0 H THR A 21 -5.849 -3.050 -24.883 1.00 0.00 H new ATOM 0 HA THR A 21 -4.390 -4.155 -22.572 1.00 0.00 H new ATOM 0 HB THR A 21 -3.231 -2.341 -24.721 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.077 -4.277 -25.363 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.074 -2.918 -23.670 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.173 -2.119 -22.520 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.934 -3.881 -22.445 1.00 0.00 H new ATOM 277 N CYS A 22 -4.329 -1.904 -21.390 1.00 0.00 N ATOM 278 CA CYS A 22 -4.564 -0.693 -20.613 1.00 0.00 C ATOM 279 C CYS A 22 -3.614 0.421 -21.042 1.00 0.00 C ATOM 280 O CYS A 22 -2.393 0.260 -21.055 1.00 0.00 O ATOM 281 CB CYS A 22 -4.393 -0.978 -19.120 1.00 0.00 C ATOM 282 SG CYS A 22 -4.731 0.454 -18.046 1.00 0.00 S ATOM 0 H CYS A 22 -3.770 -2.610 -20.911 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.587 -0.365 -20.798 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.058 -1.795 -18.838 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.374 -1.320 -18.941 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.969 0.418 -17.651 1.00 0.00 H new ATOM 287 N PRO A 23 -4.185 1.580 -21.402 1.00 0.00 N ATOM 288 CA PRO A 23 -3.408 2.745 -21.837 1.00 0.00 C ATOM 289 C PRO A 23 -2.619 3.375 -20.694 1.00 0.00 C ATOM 290 O PRO A 23 -1.894 4.350 -20.892 1.00 0.00 O ATOM 291 CB PRO A 23 -4.477 3.714 -22.347 1.00 0.00 C ATOM 292 CG PRO A 23 -5.717 3.331 -21.615 1.00 0.00 C ATOM 293 CD PRO A 23 -5.634 1.844 -21.411 1.00 0.00 C ATOM 0 HA PRO A 23 -2.661 2.481 -22.586 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.202 4.749 -22.145 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.610 3.625 -23.425 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.784 3.853 -20.660 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.606 3.598 -22.187 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.103 1.540 -20.475 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.136 1.300 -22.211 1.00 0.00 H new ATOM 301 N ILE A 24 -2.766 2.813 -19.499 1.00 0.00 N ATOM 302 CA ILE A 24 -2.065 3.320 -18.326 1.00 0.00 C ATOM 303 C ILE A 24 -0.871 2.439 -17.975 1.00 0.00 C ATOM 304 O ILE A 24 0.280 2.825 -18.179 1.00 0.00 O ATOM 305 CB ILE A 24 -3.001 3.406 -17.106 1.00 0.00 C ATOM 306 CG1 ILE A 24 -3.958 4.591 -17.253 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.190 3.530 -15.824 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.295 4.374 -16.580 1.00 0.00 C ATOM 0 H ILE A 24 -3.364 2.007 -19.318 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.713 4.321 -18.576 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.590 2.491 -17.053 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.489 5.481 -16.833 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.121 4.787 -18.313 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.865 3.590 -14.971 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.545 2.658 -15.716 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.578 4.431 -15.866 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.922 5.254 -16.725 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.785 3.503 -17.016 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.143 4.208 -15.513 1.00 0.00 H new ATOM 320 N CYS A 25 -1.153 1.252 -17.448 1.00 0.00 N ATOM 321 CA CYS A 25 -0.103 0.313 -17.070 1.00 0.00 C ATOM 322 C CYS A 25 0.490 -0.365 -18.302 1.00 0.00 C ATOM 323 O CYS A 25 1.619 -0.856 -18.271 1.00 0.00 O ATOM 324 CB CYS A 25 -0.655 -0.742 -16.110 1.00 0.00 C ATOM 325 SG CYS A 25 -2.145 -1.595 -16.719 1.00 0.00 S ATOM 0 H CYS A 25 -2.100 0.917 -17.273 1.00 0.00 H new ATOM 0 HA CYS A 25 0.687 0.872 -16.569 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.121 -1.483 -15.916 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.886 -0.265 -15.157 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.059 -0.717 -17.010 1.00 0.00 H new ATOM 330 N LEU A 26 -0.278 -0.387 -19.385 1.00 0.00 N ATOM 331 CA LEU A 26 0.170 -1.004 -20.629 1.00 0.00 C ATOM 332 C LEU A 26 0.536 -2.469 -20.409 1.00 0.00 C ATOM 333 O LEU A 26 1.497 -2.972 -20.990 1.00 0.00 O ATOM 334 CB LEU A 26 1.373 -0.246 -21.193 1.00 0.00 C ATOM 335 CG LEU A 26 1.251 1.278 -21.224 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.572 1.912 -21.630 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.139 1.705 -22.171 1.00 0.00 C ATOM 0 H LEU A 26 -1.214 0.015 -19.427 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.650 -0.957 -21.345 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.251 -0.508 -20.603 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.555 -0.597 -22.209 1.00 0.00 H new ATOM 0 HG LEU A 26 1.000 1.623 -20.221 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.465 2.997 -21.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.344 1.634 -20.913 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.855 1.560 -22.622 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.067 2.793 -22.180 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.360 1.347 -23.177 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.808 1.281 -21.835 1.00 0.00 H new ATOM 349 N GLU A 27 -0.238 -3.147 -19.568 1.00 0.00 N ATOM 350 CA GLU A 27 0.004 -4.554 -19.273 1.00 0.00 C ATOM 351 C GLU A 27 -1.044 -5.439 -19.941 1.00 0.00 C ATOM 352 O GLU A 27 -0.756 -6.134 -20.917 1.00 0.00 O ATOM 353 CB GLU A 27 -0.003 -4.790 -17.761 1.00 0.00 C ATOM 354 CG GLU A 27 1.255 -4.301 -17.063 1.00 0.00 C ATOM 355 CD GLU A 27 2.329 -5.369 -16.980 1.00 0.00 C ATOM 356 OE1 GLU A 27 2.312 -6.151 -16.006 1.00 0.00 O ATOM 357 OE2 GLU A 27 3.185 -5.422 -17.886 1.00 0.00 O ATOM 0 H GLU A 27 -1.038 -2.745 -19.079 1.00 0.00 H new ATOM 0 HA GLU A 27 0.984 -4.818 -19.671 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.868 -4.288 -17.327 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.124 -5.856 -17.569 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.649 -3.436 -17.596 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.001 -3.967 -16.057 1.00 0.00 H new ATOM 364 N LEU A 28 -2.261 -5.408 -19.410 1.00 0.00 N ATOM 365 CA LEU A 28 -3.354 -6.207 -19.954 1.00 0.00 C ATOM 366 C LEU A 28 -4.700 -5.721 -19.424 1.00 0.00 C ATOM 367 O LEU A 28 -4.783 -5.160 -18.331 1.00 0.00 O ATOM 368 CB LEU A 28 -3.158 -7.682 -19.602 1.00 0.00 C ATOM 369 CG LEU A 28 -4.404 -8.564 -19.685 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.880 -8.680 -21.125 1.00 0.00 C ATOM 371 CD2 LEU A 28 -4.123 -9.941 -19.102 1.00 0.00 C ATOM 0 H LEU A 28 -2.516 -4.838 -18.603 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.349 -6.095 -21.038 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.400 -8.096 -20.267 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.761 -7.743 -18.589 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.195 -8.098 -19.098 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.768 -9.311 -21.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.122 -7.689 -21.509 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.092 -9.123 -21.734 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.021 -10.555 -19.170 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.316 -10.415 -19.661 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.830 -9.841 -18.057 1.00 0.00 H new ATOM 383 N LEU A 29 -5.751 -5.941 -20.206 1.00 0.00 N ATOM 384 CA LEU A 29 -7.095 -5.527 -19.815 1.00 0.00 C ATOM 385 C LEU A 29 -8.097 -6.656 -20.035 1.00 0.00 C ATOM 386 O LEU A 29 -8.648 -6.808 -21.126 1.00 0.00 O ATOM 387 CB LEU A 29 -7.520 -4.290 -20.608 1.00 0.00 C ATOM 388 CG LEU A 29 -7.073 -2.943 -20.040 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.821 -1.804 -20.716 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.286 -2.902 -18.534 1.00 0.00 C ATOM 0 H LEU A 29 -5.699 -6.403 -21.114 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.079 -5.282 -18.753 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.130 -4.381 -21.622 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.607 -4.287 -20.683 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.008 -2.822 -20.240 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.490 -0.853 -20.299 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.619 -1.821 -21.787 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.891 -1.921 -20.547 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.962 -1.936 -18.147 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.343 -3.046 -18.312 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.705 -3.695 -18.063 1.00 0.00 H new ATOM 402 N THR A 30 -8.331 -7.445 -18.991 1.00 0.00 N ATOM 403 CA THR A 30 -9.268 -8.558 -19.070 1.00 0.00 C ATOM 404 C THR A 30 -10.639 -8.162 -18.535 1.00 0.00 C ATOM 405 O THR A 30 -11.667 -8.591 -19.059 1.00 0.00 O ATOM 406 CB THR A 30 -8.756 -9.779 -18.283 1.00 0.00 C ATOM 407 OG1 THR A 30 -9.810 -10.735 -18.122 1.00 0.00 O ATOM 408 CG2 THR A 30 -8.230 -9.362 -16.918 1.00 0.00 C ATOM 0 H THR A 30 -7.884 -7.333 -18.081 1.00 0.00 H new ATOM 0 HA THR A 30 -9.355 -8.824 -20.124 1.00 0.00 H new ATOM 0 HB THR A 30 -7.939 -10.230 -18.847 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.476 -11.509 -17.622 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.874 -10.241 -16.381 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.408 -8.657 -17.045 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.030 -8.889 -16.349 1.00 0.00 H new ATOM 416 N GLN A 31 -10.647 -7.341 -17.490 1.00 0.00 N ATOM 417 CA GLN A 31 -11.894 -6.887 -16.884 1.00 0.00 C ATOM 418 C GLN A 31 -11.880 -5.376 -16.678 1.00 0.00 C ATOM 419 O GLN A 31 -12.134 -4.872 -15.584 1.00 0.00 O ATOM 420 CB GLN A 31 -12.123 -7.594 -15.547 1.00 0.00 C ATOM 421 CG GLN A 31 -10.984 -7.409 -14.558 1.00 0.00 C ATOM 422 CD GLN A 31 -11.298 -7.985 -13.192 1.00 0.00 C ATOM 423 OE1 GLN A 31 -11.067 -9.167 -12.935 1.00 0.00 O ATOM 424 NE2 GLN A 31 -11.828 -7.151 -12.305 1.00 0.00 N ATOM 0 H GLN A 31 -9.805 -6.976 -17.045 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.710 -7.135 -17.562 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.045 -7.220 -15.101 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.266 -8.659 -15.729 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.086 -7.885 -14.951 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.764 -6.346 -14.458 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.003 -6.179 -12.560 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.060 -7.482 -11.369 1.00 0.00 H new ATOM 433 N PRO A 32 -11.577 -4.634 -17.754 1.00 0.00 N ATOM 434 CA PRO A 32 -11.524 -3.170 -17.716 1.00 0.00 C ATOM 435 C PRO A 32 -12.904 -2.543 -17.551 1.00 0.00 C ATOM 436 O PRO A 32 -13.919 -3.241 -17.563 1.00 0.00 O ATOM 437 CB PRO A 32 -10.929 -2.801 -19.077 1.00 0.00 C ATOM 438 CG PRO A 32 -11.277 -3.945 -19.966 1.00 0.00 C ATOM 439 CD PRO A 32 -11.264 -5.168 -19.090 1.00 0.00 C ATOM 0 HA PRO A 32 -10.944 -2.806 -16.868 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.348 -1.867 -19.452 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.850 -2.664 -19.013 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.257 -3.801 -20.422 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.558 -4.040 -20.780 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.003 -5.901 -19.413 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.294 -5.664 -19.107 1.00 0.00 H new ATOM 447 N LEU A 33 -12.935 -1.224 -17.398 1.00 0.00 N ATOM 448 CA LEU A 33 -14.192 -0.503 -17.231 1.00 0.00 C ATOM 449 C LEU A 33 -14.571 0.235 -18.512 1.00 0.00 C ATOM 450 O LEU A 33 -13.723 0.493 -19.365 1.00 0.00 O ATOM 451 CB LEU A 33 -14.084 0.488 -16.071 1.00 0.00 C ATOM 452 CG LEU A 33 -13.652 -0.097 -14.726 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.740 0.956 -13.633 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.504 -1.308 -14.373 1.00 0.00 C ATOM 0 H LEU A 33 -12.104 -0.632 -17.386 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.973 -1.230 -17.008 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.375 1.267 -16.350 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.053 0.970 -15.940 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.614 -0.419 -14.808 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.429 0.521 -12.683 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.087 1.793 -13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.768 1.310 -13.551 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.183 -1.712 -13.413 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.551 -1.010 -14.310 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.390 -2.070 -15.144 1.00 0.00 H new ATOM 466 N SER A 34 -15.850 0.573 -18.637 1.00 0.00 N ATOM 467 CA SER A 34 -16.342 1.280 -19.814 1.00 0.00 C ATOM 468 C SER A 34 -16.534 2.764 -19.515 1.00 0.00 C ATOM 469 O SER A 34 -16.799 3.151 -18.376 1.00 0.00 O ATOM 470 CB SER A 34 -17.662 0.669 -20.288 1.00 0.00 C ATOM 471 OG SER A 34 -18.195 1.393 -21.383 1.00 0.00 O ATOM 0 H SER A 34 -16.564 0.369 -17.938 1.00 0.00 H new ATOM 0 HA SER A 34 -15.599 1.179 -20.605 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.502 -0.370 -20.578 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.379 0.664 -19.467 1.00 0.00 H new ATOM 0 HG SER A 34 -19.037 0.982 -21.668 1.00 0.00 H new ATOM 477 N LEU A 35 -16.400 3.591 -20.546 1.00 0.00 N ATOM 478 CA LEU A 35 -16.558 5.033 -20.396 1.00 0.00 C ATOM 479 C LEU A 35 -17.480 5.595 -21.475 1.00 0.00 C ATOM 480 O LEU A 35 -17.741 4.940 -22.484 1.00 0.00 O ATOM 481 CB LEU A 35 -15.196 5.726 -20.462 1.00 0.00 C ATOM 482 CG LEU A 35 -14.127 5.195 -19.506 1.00 0.00 C ATOM 483 CD1 LEU A 35 -12.830 5.972 -19.672 1.00 0.00 C ATOM 484 CD2 LEU A 35 -14.614 5.268 -18.067 1.00 0.00 C ATOM 0 H LEU A 35 -16.182 3.287 -21.495 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.009 5.224 -19.422 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.817 5.643 -21.481 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.340 6.787 -20.261 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.935 4.150 -19.750 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.081 5.581 -18.984 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.472 5.868 -20.696 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.007 7.025 -19.455 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.840 4.886 -17.401 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.835 6.304 -17.810 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.516 4.666 -17.957 1.00 0.00 H new ATOM 496 N ASP A 36 -17.967 6.811 -21.255 1.00 0.00 N ATOM 497 CA ASP A 36 -18.857 7.462 -22.209 1.00 0.00 C ATOM 498 C ASP A 36 -18.059 8.166 -23.302 1.00 0.00 C ATOM 499 O ASP A 36 -18.614 8.916 -24.106 1.00 0.00 O ATOM 500 CB ASP A 36 -19.760 8.467 -21.493 1.00 0.00 C ATOM 501 CG ASP A 36 -18.973 9.551 -20.784 1.00 0.00 C ATOM 502 OD1 ASP A 36 -18.541 10.509 -21.460 1.00 0.00 O ATOM 503 OD2 ASP A 36 -18.790 9.443 -19.554 1.00 0.00 O ATOM 0 H ASP A 36 -17.760 7.366 -20.424 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.477 6.695 -22.673 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.433 8.926 -22.217 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.381 7.941 -20.769 1.00 0.00 H new ATOM 508 N CYS A 37 -16.753 7.921 -23.326 1.00 0.00 N ATOM 509 CA CYS A 37 -15.877 8.532 -24.318 1.00 0.00 C ATOM 510 C CYS A 37 -15.454 7.512 -25.371 1.00 0.00 C ATOM 511 O CYS A 37 -15.380 7.824 -26.559 1.00 0.00 O ATOM 512 CB CYS A 37 -14.641 9.126 -23.641 1.00 0.00 C ATOM 513 SG CYS A 37 -13.425 7.885 -23.093 1.00 0.00 S ATOM 0 H CYS A 37 -16.278 7.303 -22.669 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.430 9.330 -24.813 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.156 9.814 -24.334 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -14.959 9.713 -22.779 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.452 7.822 -23.953 1.00 0.00 H new ATOM 518 N GLY A 38 -15.177 6.290 -24.926 1.00 0.00 N ATOM 519 CA GLY A 38 -14.765 5.243 -25.842 1.00 0.00 C ATOM 520 C GLY A 38 -13.383 4.705 -25.524 1.00 0.00 C ATOM 521 O GLY A 38 -12.574 4.480 -26.425 1.00 0.00 O ATOM 0 H GLY A 38 -15.231 6.007 -23.948 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.487 4.427 -25.805 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.775 5.631 -26.861 1.00 0.00 H new ATOM 525 N HIS A 39 -13.111 4.500 -24.239 1.00 0.00 N ATOM 526 CA HIS A 39 -11.817 3.987 -23.805 1.00 0.00 C ATOM 527 C HIS A 39 -11.956 3.188 -22.512 1.00 0.00 C ATOM 528 O HIS A 39 -12.622 3.621 -21.572 1.00 0.00 O ATOM 529 CB HIS A 39 -10.830 5.137 -23.604 1.00 0.00 C ATOM 530 CG HIS A 39 -10.549 5.911 -24.854 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.664 7.283 -24.932 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.155 5.498 -26.082 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.355 7.680 -26.153 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.042 6.616 -26.871 1.00 0.00 N ATOM 0 H HIS A 39 -13.769 4.681 -23.481 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.437 3.324 -24.582 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.225 5.815 -22.848 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.893 4.737 -23.216 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.965 4.479 -26.384 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.358 8.701 -26.505 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.762 6.624 -27.852 1.00 0.00 H new ATOM 542 N SER A 40 -11.324 2.019 -22.474 1.00 0.00 N ATOM 543 CA SER A 40 -11.381 1.158 -21.298 1.00 0.00 C ATOM 544 C SER A 40 -10.150 1.355 -20.420 1.00 0.00 C ATOM 545 O SER A 40 -9.124 1.864 -20.873 1.00 0.00 O ATOM 546 CB SER A 40 -11.491 -0.309 -21.720 1.00 0.00 C ATOM 547 OG SER A 40 -12.136 -0.431 -22.976 1.00 0.00 O ATOM 0 H SER A 40 -10.767 1.647 -23.243 1.00 0.00 H new ATOM 0 HA SER A 40 -12.264 1.431 -20.721 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.496 -0.751 -21.774 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.047 -0.867 -20.966 1.00 0.00 H new ATOM 0 HG SER A 40 -12.192 -1.377 -23.224 1.00 0.00 H new ATOM 553 N PHE A 41 -10.258 0.949 -19.159 1.00 0.00 N ATOM 554 CA PHE A 41 -9.155 1.081 -18.215 1.00 0.00 C ATOM 555 C PHE A 41 -9.312 0.103 -17.054 1.00 0.00 C ATOM 556 O PHE A 41 -10.286 -0.647 -16.987 1.00 0.00 O ATOM 557 CB PHE A 41 -9.080 2.514 -17.684 1.00 0.00 C ATOM 558 CG PHE A 41 -8.976 3.550 -18.766 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.102 3.954 -19.466 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.754 4.121 -19.083 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.010 4.907 -20.463 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.656 5.074 -20.078 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.785 5.469 -20.768 1.00 0.00 C ATOM 0 H PHE A 41 -11.099 0.525 -18.767 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.229 0.847 -18.741 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.966 2.717 -17.082 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.218 2.603 -17.023 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.062 3.519 -19.230 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.868 3.817 -18.546 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.894 5.212 -21.003 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.697 5.510 -20.316 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.711 6.216 -21.545 1.00 0.00 H new ATOM 573 N CYS A 42 -8.346 0.117 -16.142 1.00 0.00 N ATOM 574 CA CYS A 42 -8.374 -0.768 -14.984 1.00 0.00 C ATOM 575 C CYS A 42 -9.129 -0.123 -13.825 1.00 0.00 C ATOM 576 O CYS A 42 -8.926 1.051 -13.517 1.00 0.00 O ATOM 577 CB CYS A 42 -6.950 -1.118 -14.548 1.00 0.00 C ATOM 578 SG CYS A 42 -5.981 -2.000 -15.813 1.00 0.00 S ATOM 0 H CYS A 42 -7.533 0.732 -16.183 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.894 -1.683 -15.269 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.427 -0.200 -14.280 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.997 -1.732 -13.648 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.498 -1.144 -16.664 1.00 0.00 H new ATOM 583 N GLN A 43 -9.998 -0.900 -13.187 1.00 0.00 N ATOM 584 CA GLN A 43 -10.783 -0.404 -12.063 1.00 0.00 C ATOM 585 C GLN A 43 -9.896 0.327 -11.060 1.00 0.00 C ATOM 586 O GLN A 43 -10.375 1.139 -10.269 1.00 0.00 O ATOM 587 CB GLN A 43 -11.510 -1.559 -11.372 1.00 0.00 C ATOM 588 CG GLN A 43 -12.120 -1.180 -10.032 1.00 0.00 C ATOM 589 CD GLN A 43 -13.355 -1.994 -9.702 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.345 -1.465 -9.195 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.304 -3.290 -9.989 1.00 0.00 N ATOM 0 H GLN A 43 -10.176 -1.875 -13.429 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.520 0.300 -12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.298 -1.926 -12.029 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.810 -2.381 -11.223 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.377 -1.319 -9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.379 -0.121 -10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.463 -3.687 -10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.106 -3.888 -9.790 1.00 0.00 H new ATOM 600 N ALA A 44 -8.601 0.033 -11.099 1.00 0.00 N ATOM 601 CA ALA A 44 -7.647 0.663 -10.195 1.00 0.00 C ATOM 602 C ALA A 44 -6.953 1.844 -10.865 1.00 0.00 C ATOM 603 O ALA A 44 -6.999 2.969 -10.366 1.00 0.00 O ATOM 604 CB ALA A 44 -6.620 -0.354 -9.719 1.00 0.00 C ATOM 0 H ALA A 44 -8.188 -0.638 -11.747 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.196 1.040 -9.332 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.914 0.130 -9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.126 -1.164 -9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.083 -0.758 -10.577 1.00 0.00 H new ATOM 610 N CYS A 45 -6.310 1.582 -11.998 1.00 0.00 N ATOM 611 CA CYS A 45 -5.605 2.622 -12.736 1.00 0.00 C ATOM 612 C CYS A 45 -6.452 3.888 -12.834 1.00 0.00 C ATOM 613 O CYS A 45 -5.951 4.999 -12.657 1.00 0.00 O ATOM 614 CB CYS A 45 -5.245 2.127 -14.138 1.00 0.00 C ATOM 615 SG CYS A 45 -4.027 0.773 -14.158 1.00 0.00 S ATOM 0 H CYS A 45 -6.263 0.657 -12.425 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.689 2.859 -12.195 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.154 1.791 -14.638 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.853 2.963 -14.717 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.485 -0.212 -14.872 1.00 0.00 H new ATOM 620 N LEU A 46 -7.738 3.712 -13.117 1.00 0.00 N ATOM 621 CA LEU A 46 -8.656 4.840 -13.238 1.00 0.00 C ATOM 622 C LEU A 46 -8.676 5.666 -11.956 1.00 0.00 C ATOM 623 O LEU A 46 -8.527 6.888 -11.989 1.00 0.00 O ATOM 624 CB LEU A 46 -10.066 4.342 -13.561 1.00 0.00 C ATOM 625 CG LEU A 46 -10.445 4.313 -15.042 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.590 3.341 -15.280 1.00 0.00 C ATOM 627 CD2 LEU A 46 -10.817 5.707 -15.525 1.00 0.00 C ATOM 0 H LEU A 46 -8.169 2.800 -13.267 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.307 5.476 -14.051 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.175 3.335 -13.159 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.782 4.974 -13.036 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.581 3.972 -15.612 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.847 3.333 -16.339 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.287 2.340 -14.973 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.458 3.652 -14.699 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.084 5.667 -16.581 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.666 6.077 -14.950 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.968 6.377 -15.390 1.00 0.00 H new ATOM 639 N THR A 47 -8.860 4.990 -10.826 1.00 0.00 N ATOM 640 CA THR A 47 -8.899 5.661 -9.532 1.00 0.00 C ATOM 641 C THR A 47 -7.669 6.537 -9.331 1.00 0.00 C ATOM 642 O THR A 47 -7.765 7.647 -8.808 1.00 0.00 O ATOM 643 CB THR A 47 -8.988 4.646 -8.376 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.203 3.895 -8.476 1.00 0.00 O ATOM 645 CG2 THR A 47 -8.932 5.354 -7.031 1.00 0.00 C ATOM 0 H THR A 47 -8.984 3.979 -10.781 1.00 0.00 H new ATOM 0 HA THR A 47 -9.792 6.286 -9.526 1.00 0.00 H new ATOM 0 HB THR A 47 -8.137 3.969 -8.449 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.067 3.132 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.996 4.618 -6.229 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.993 5.901 -6.947 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.766 6.051 -6.952 1.00 0.00 H new ATOM 653 N ALA A 48 -6.513 6.033 -9.749 1.00 0.00 N ATOM 654 CA ALA A 48 -5.264 6.772 -9.616 1.00 0.00 C ATOM 655 C ALA A 48 -5.168 7.881 -10.659 1.00 0.00 C ATOM 656 O ALA A 48 -4.454 8.864 -10.469 1.00 0.00 O ATOM 657 CB ALA A 48 -4.076 5.828 -9.737 1.00 0.00 C ATOM 0 H ALA A 48 -6.416 5.115 -10.183 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.248 7.234 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.150 6.394 -9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.129 5.074 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.098 5.339 -10.711 1.00 0.00 H new ATOM 663 N ASN A 49 -5.893 7.714 -11.761 1.00 0.00 N ATOM 664 CA ASN A 49 -5.889 8.701 -12.834 1.00 0.00 C ATOM 665 C ASN A 49 -6.799 9.878 -12.495 1.00 0.00 C ATOM 666 O ASN A 49 -6.439 11.036 -12.707 1.00 0.00 O ATOM 667 CB ASN A 49 -6.336 8.058 -14.148 1.00 0.00 C ATOM 668 CG ASN A 49 -6.574 9.082 -15.242 1.00 0.00 C ATOM 669 OD1 ASN A 49 -5.632 9.568 -15.867 1.00 0.00 O ATOM 670 ND2 ASN A 49 -7.838 9.414 -15.477 1.00 0.00 N ATOM 0 H ASN A 49 -6.490 6.905 -11.934 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.871 9.073 -12.947 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.578 7.348 -14.478 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.252 7.492 -13.979 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.060 10.098 -16.201 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.587 8.985 -14.934 1.00 0.00 H new ATOM 677 N HIS A 50 -7.980 9.572 -11.967 1.00 0.00 N ATOM 678 CA HIS A 50 -8.942 10.604 -11.597 1.00 0.00 C ATOM 679 C HIS A 50 -8.348 11.555 -10.562 1.00 0.00 C ATOM 680 O HIS A 50 -8.565 12.766 -10.619 1.00 0.00 O ATOM 681 CB HIS A 50 -10.219 9.967 -11.047 1.00 0.00 C ATOM 682 CG HIS A 50 -10.867 9.008 -11.998 1.00 0.00 C ATOM 683 ND1 HIS A 50 -11.352 9.384 -13.233 1.00 0.00 N ATOM 684 CD2 HIS A 50 -11.106 7.680 -11.889 1.00 0.00 C ATOM 685 CE1 HIS A 50 -11.864 8.329 -13.842 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.727 7.282 -13.048 1.00 0.00 N ATOM 0 H HIS A 50 -8.294 8.618 -11.786 1.00 0.00 H new ATOM 0 HA HIS A 50 -9.186 11.176 -12.492 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.984 9.444 -10.120 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.930 10.755 -10.797 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.855 7.051 -11.048 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.317 8.324 -14.822 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.033 6.332 -13.261 1.00 0.00 H new ATOM 694 N LYS A 51 -7.598 10.999 -9.617 1.00 0.00 N ATOM 695 CA LYS A 51 -6.971 11.797 -8.569 1.00 0.00 C ATOM 696 C LYS A 51 -5.708 12.477 -9.086 1.00 0.00 C ATOM 697 O LYS A 51 -5.190 13.404 -8.462 1.00 0.00 O ATOM 698 CB LYS A 51 -6.633 10.917 -7.364 1.00 0.00 C ATOM 699 CG LYS A 51 -5.226 10.346 -7.403 1.00 0.00 C ATOM 700 CD LYS A 51 -5.157 8.987 -6.726 1.00 0.00 C ATOM 701 CE LYS A 51 -5.053 9.122 -5.215 1.00 0.00 C ATOM 702 NZ LYS A 51 -4.368 7.952 -4.600 1.00 0.00 N ATOM 0 H LYS A 51 -7.409 9.999 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.677 12.568 -8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.753 11.502 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.348 10.096 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.898 10.255 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.539 11.034 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.044 8.407 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.296 8.435 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.508 10.033 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.052 9.223 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.317 8.082 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.902 7.085 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.406 7.870 -4.987 1.00 0.00 H new ATOM 716 N LYS A 52 -5.217 12.013 -10.230 1.00 0.00 N ATOM 717 CA LYS A 52 -4.015 12.579 -10.833 1.00 0.00 C ATOM 718 C LYS A 52 -4.354 13.805 -11.673 1.00 0.00 C ATOM 719 O LYS A 52 -3.554 14.734 -11.784 1.00 0.00 O ATOM 720 CB LYS A 52 -3.313 11.531 -11.700 1.00 0.00 C ATOM 721 CG LYS A 52 -2.204 12.102 -12.566 1.00 0.00 C ATOM 722 CD LYS A 52 -2.725 12.531 -13.927 1.00 0.00 C ATOM 723 CE LYS A 52 -1.699 13.367 -14.678 1.00 0.00 C ATOM 724 NZ LYS A 52 -0.789 12.522 -15.499 1.00 0.00 N ATOM 0 H LYS A 52 -5.633 11.246 -10.759 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.345 12.885 -10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.897 10.758 -11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.051 11.048 -12.341 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.751 12.956 -12.063 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.420 11.356 -12.694 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.978 11.649 -14.515 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.643 13.105 -13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.213 14.080 -15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.112 13.947 -13.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.105 13.129 -15.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.279 11.859 -14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.346 11.987 -16.196 1.00 0.00 H new ATOM 738 N SER A 53 -5.545 13.803 -12.263 1.00 0.00 N ATOM 739 CA SER A 53 -5.989 14.915 -13.096 1.00 0.00 C ATOM 740 C SER A 53 -6.725 15.958 -12.261 1.00 0.00 C ATOM 741 O SER A 53 -7.586 16.678 -12.766 1.00 0.00 O ATOM 742 CB SER A 53 -6.897 14.409 -14.218 1.00 0.00 C ATOM 743 OG SER A 53 -6.176 13.604 -15.134 1.00 0.00 O ATOM 0 H SER A 53 -6.220 13.043 -12.180 1.00 0.00 H new ATOM 0 HA SER A 53 -5.108 15.382 -13.535 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.720 13.834 -13.793 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.338 15.256 -14.743 1.00 0.00 H new ATOM 0 HG SER A 53 -6.779 13.292 -15.840 1.00 0.00 H new ATOM 749 N MET A 54 -6.378 16.034 -10.980 1.00 0.00 N ATOM 750 CA MET A 54 -7.005 16.991 -10.075 1.00 0.00 C ATOM 751 C MET A 54 -6.146 18.242 -9.927 1.00 0.00 C ATOM 752 O MET A 54 -6.640 19.364 -10.041 1.00 0.00 O ATOM 753 CB MET A 54 -7.236 16.351 -8.704 1.00 0.00 C ATOM 754 CG MET A 54 -8.062 15.076 -8.760 1.00 0.00 C ATOM 755 SD MET A 54 -9.805 15.391 -9.098 1.00 0.00 S ATOM 756 CE MET A 54 -9.804 15.414 -10.889 1.00 0.00 C ATOM 0 H MET A 54 -5.667 15.445 -10.546 1.00 0.00 H new ATOM 0 HA MET A 54 -7.966 17.280 -10.500 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.271 16.129 -8.248 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.737 17.070 -8.056 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.659 14.420 -9.532 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.970 14.546 -7.812 1.00 0.00 H new ATOM 0 HE1 MET A 54 -9.909 16.441 -11.240 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.866 14.999 -11.258 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.636 14.816 -11.261 1.00 0.00 H new ATOM 766 N LEU A 55 -4.857 18.043 -9.671 1.00 0.00 N ATOM 767 CA LEU A 55 -3.929 19.156 -9.506 1.00 0.00 C ATOM 768 C LEU A 55 -4.024 20.123 -10.683 1.00 0.00 C ATOM 769 O LEU A 55 -3.784 21.321 -10.535 1.00 0.00 O ATOM 770 CB LEU A 55 -2.497 18.636 -9.373 1.00 0.00 C ATOM 771 CG LEU A 55 -2.037 17.651 -10.449 1.00 0.00 C ATOM 772 CD1 LEU A 55 -1.400 18.392 -11.614 1.00 0.00 C ATOM 773 CD2 LEU A 55 -1.066 16.637 -9.864 1.00 0.00 C ATOM 0 H LEU A 55 -4.431 17.121 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.200 19.692 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.820 19.490 -9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.396 18.154 -8.401 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.910 17.115 -10.821 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.079 17.675 -12.369 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.127 19.078 -12.050 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.537 18.955 -11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.749 15.944 -10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.195 17.156 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.557 16.083 -9.064 1.00 0.00 H new ATOM 785 N ASP A 56 -4.377 19.594 -11.849 1.00 0.00 N ATOM 786 CA ASP A 56 -4.507 20.410 -13.051 1.00 0.00 C ATOM 787 C ASP A 56 -5.962 20.802 -13.286 1.00 0.00 C ATOM 788 O ASP A 56 -6.302 21.985 -13.304 1.00 0.00 O ATOM 789 CB ASP A 56 -3.966 19.655 -14.266 1.00 0.00 C ATOM 790 CG ASP A 56 -4.067 20.466 -15.543 1.00 0.00 C ATOM 791 OD1 ASP A 56 -5.079 21.177 -15.715 1.00 0.00 O ATOM 792 OD2 ASP A 56 -3.136 20.389 -16.371 1.00 0.00 O ATOM 0 H ASP A 56 -4.578 18.604 -11.988 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.923 21.319 -12.909 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.924 19.388 -14.090 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.518 18.723 -14.386 1.00 0.00 H new ATOM 797 N LYS A 57 -6.817 19.801 -13.468 1.00 0.00 N ATOM 798 CA LYS A 57 -8.236 20.040 -13.702 1.00 0.00 C ATOM 799 C LYS A 57 -9.079 19.465 -12.568 1.00 0.00 C ATOM 800 O LYS A 57 -9.309 18.258 -12.503 1.00 0.00 O ATOM 801 CB LYS A 57 -8.665 19.422 -15.035 1.00 0.00 C ATOM 802 CG LYS A 57 -7.941 18.129 -15.367 1.00 0.00 C ATOM 803 CD LYS A 57 -8.135 17.739 -16.822 1.00 0.00 C ATOM 804 CE LYS A 57 -7.294 18.605 -17.748 1.00 0.00 C ATOM 805 NZ LYS A 57 -5.837 18.340 -17.584 1.00 0.00 N ATOM 0 H LYS A 57 -6.552 18.816 -13.458 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.396 21.118 -13.740 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.738 19.231 -15.009 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.489 20.143 -15.833 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.877 18.243 -15.159 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.308 17.330 -14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.866 16.691 -16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.188 17.835 -17.088 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.583 18.418 -18.782 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.497 19.657 -17.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.301 18.912 -18.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.545 18.591 -16.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.646 17.332 -17.752 1.00 0.00 H new ATOM 819 N GLY A 58 -9.540 20.338 -11.677 1.00 0.00 N ATOM 820 CA GLY A 58 -10.354 19.898 -10.559 1.00 0.00 C ATOM 821 C GLY A 58 -11.214 18.699 -10.905 1.00 0.00 C ATOM 822 O GLY A 58 -11.452 17.835 -10.063 1.00 0.00 O ATOM 0 H GLY A 58 -9.364 21.342 -11.710 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.707 19.647 -9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.994 20.719 -10.234 1.00 0.00 H new ATOM 826 N GLU A 59 -11.683 18.648 -12.148 1.00 0.00 N ATOM 827 CA GLU A 59 -12.525 17.547 -12.602 1.00 0.00 C ATOM 828 C GLU A 59 -11.711 16.535 -13.403 1.00 0.00 C ATOM 829 O GLU A 59 -10.833 16.906 -14.182 1.00 0.00 O ATOM 830 CB GLU A 59 -13.681 18.076 -13.452 1.00 0.00 C ATOM 831 CG GLU A 59 -14.534 19.114 -12.742 1.00 0.00 C ATOM 832 CD GLU A 59 -15.757 19.512 -13.544 1.00 0.00 C ATOM 833 OE1 GLU A 59 -16.540 18.615 -13.918 1.00 0.00 O ATOM 834 OE2 GLU A 59 -15.931 20.723 -13.798 1.00 0.00 O ATOM 0 H GLU A 59 -11.494 19.356 -12.858 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.931 17.047 -11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.279 18.513 -14.366 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.314 17.240 -13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.850 18.720 -11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.931 20.000 -12.543 1.00 0.00 H new ATOM 841 N SER A 60 -12.009 15.255 -13.206 1.00 0.00 N ATOM 842 CA SER A 60 -11.304 14.188 -13.906 1.00 0.00 C ATOM 843 C SER A 60 -11.420 14.361 -15.417 1.00 0.00 C ATOM 844 O SER A 60 -12.249 15.130 -15.903 1.00 0.00 O ATOM 845 CB SER A 60 -11.858 12.824 -13.493 1.00 0.00 C ATOM 846 OG SER A 60 -12.010 12.739 -12.087 1.00 0.00 O ATOM 0 H SER A 60 -12.735 14.931 -12.567 1.00 0.00 H new ATOM 0 HA SER A 60 -10.251 14.241 -13.631 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.821 12.658 -13.977 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.188 12.036 -13.838 1.00 0.00 H new ATOM 0 HG SER A 60 -12.948 12.894 -11.849 1.00 0.00 H new ATOM 852 N SER A 61 -10.583 13.639 -16.155 1.00 0.00 N ATOM 853 CA SER A 61 -10.588 13.715 -17.612 1.00 0.00 C ATOM 854 C SER A 61 -9.826 12.540 -18.219 1.00 0.00 C ATOM 855 O SER A 61 -8.637 12.356 -17.960 1.00 0.00 O ATOM 856 CB SER A 61 -9.969 15.034 -18.078 1.00 0.00 C ATOM 857 OG SER A 61 -10.890 16.103 -17.947 1.00 0.00 O ATOM 0 H SER A 61 -9.893 12.995 -15.769 1.00 0.00 H new ATOM 0 HA SER A 61 -11.623 13.669 -17.950 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.074 15.247 -17.493 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.656 14.945 -19.118 1.00 0.00 H new ATOM 0 HG SER A 61 -11.685 15.793 -17.465 1.00 0.00 H new ATOM 863 N CYS A 62 -10.521 11.748 -19.029 1.00 0.00 N ATOM 864 CA CYS A 62 -9.913 10.591 -19.674 1.00 0.00 C ATOM 865 C CYS A 62 -8.458 10.873 -20.039 1.00 0.00 C ATOM 866 O CYS A 62 -8.139 11.857 -20.707 1.00 0.00 O ATOM 867 CB CYS A 62 -10.700 10.209 -20.930 1.00 0.00 C ATOM 868 SG CYS A 62 -10.061 8.735 -21.788 1.00 0.00 S ATOM 0 H CYS A 62 -11.506 11.887 -19.254 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.938 9.759 -18.970 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -11.740 10.034 -20.655 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -10.691 11.051 -21.622 1.00 0.00 H new ATOM 0 HG CYS A 62 -11.036 8.134 -22.404 1.00 0.00 H new ATOM 873 N PRO A 63 -7.554 9.990 -19.591 1.00 0.00 N ATOM 874 CA PRO A 63 -6.119 10.122 -19.858 1.00 0.00 C ATOM 875 C PRO A 63 -5.777 9.876 -21.323 1.00 0.00 C ATOM 876 O PRO A 63 -4.613 9.937 -21.718 1.00 0.00 O ATOM 877 CB PRO A 63 -5.493 9.040 -18.974 1.00 0.00 C ATOM 878 CG PRO A 63 -6.570 8.027 -18.794 1.00 0.00 C ATOM 879 CD PRO A 63 -7.863 8.794 -18.788 1.00 0.00 C ATOM 0 HA PRO A 63 -5.756 11.128 -19.647 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.613 8.603 -19.447 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.170 9.449 -18.017 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.555 7.294 -19.600 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.438 7.478 -17.862 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.676 8.215 -19.226 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.169 9.058 -17.776 1.00 0.00 H new ATOM 887 N VAL A 64 -6.799 9.598 -22.126 1.00 0.00 N ATOM 888 CA VAL A 64 -6.607 9.345 -23.549 1.00 0.00 C ATOM 889 C VAL A 64 -7.124 10.507 -24.389 1.00 0.00 C ATOM 890 O VAL A 64 -6.399 11.060 -25.216 1.00 0.00 O ATOM 891 CB VAL A 64 -7.318 8.051 -23.990 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.091 7.795 -25.472 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.840 6.871 -23.157 1.00 0.00 C ATOM 0 H VAL A 64 -7.769 9.542 -21.815 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.534 9.234 -23.709 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.389 8.172 -23.827 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.601 6.877 -25.765 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.487 8.630 -26.050 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.023 7.694 -25.664 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.352 5.965 -23.482 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.765 6.746 -23.286 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.060 7.055 -22.105 1.00 0.00 H new ATOM 903 N CYS A 65 -8.383 10.873 -24.171 1.00 0.00 N ATOM 904 CA CYS A 65 -8.999 11.971 -24.908 1.00 0.00 C ATOM 905 C CYS A 65 -9.246 13.168 -23.994 1.00 0.00 C ATOM 906 O CYS A 65 -9.361 14.302 -24.459 1.00 0.00 O ATOM 907 CB CYS A 65 -10.317 11.514 -25.537 1.00 0.00 C ATOM 908 SG CYS A 65 -11.520 10.851 -24.341 1.00 0.00 S ATOM 0 H CYS A 65 -8.997 10.426 -23.490 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.313 12.276 -25.699 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.768 12.356 -26.061 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.105 10.750 -26.285 1.00 0.00 H new ATOM 0 HG CYS A 65 -10.917 10.040 -23.523 1.00 0.00 H new ATOM 913 N ARG A 66 -9.326 12.906 -22.694 1.00 0.00 N ATOM 914 CA ARG A 66 -9.560 13.961 -21.715 1.00 0.00 C ATOM 915 C ARG A 66 -10.900 14.647 -21.966 1.00 0.00 C ATOM 916 O ARG A 66 -10.987 15.875 -21.978 1.00 0.00 O ATOM 917 CB ARG A 66 -8.430 14.992 -21.764 1.00 0.00 C ATOM 918 CG ARG A 66 -7.050 14.392 -21.554 1.00 0.00 C ATOM 919 CD ARG A 66 -6.671 14.368 -20.082 1.00 0.00 C ATOM 920 NE ARG A 66 -5.246 14.117 -19.887 1.00 0.00 N ATOM 921 CZ ARG A 66 -4.315 15.060 -19.972 1.00 0.00 C ATOM 922 NH1 ARG A 66 -4.658 16.311 -20.247 1.00 0.00 N ATOM 923 NH2 ARG A 66 -3.038 14.754 -19.782 1.00 0.00 N ATOM 0 H ARG A 66 -9.232 11.972 -22.294 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.584 13.505 -20.725 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.454 15.499 -22.729 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.608 15.750 -21.001 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.029 13.378 -21.953 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.312 14.969 -22.111 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.937 15.321 -19.624 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.248 13.597 -19.572 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.949 13.165 -19.674 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.639 16.550 -20.394 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.941 17.034 -20.312 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.770 13.793 -19.570 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.324 15.480 -19.848 1.00 0.00 H new ATOM 937 N ILE A 67 -11.941 13.845 -22.164 1.00 0.00 N ATOM 938 CA ILE A 67 -13.276 14.375 -22.414 1.00 0.00 C ATOM 939 C ILE A 67 -13.971 14.748 -21.109 1.00 0.00 C ATOM 940 O ILE A 67 -13.562 14.319 -20.030 1.00 0.00 O ATOM 941 CB ILE A 67 -14.150 13.363 -23.177 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.336 14.073 -23.834 1.00 0.00 C ATOM 943 CG2 ILE A 67 -14.634 12.267 -22.239 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.041 13.233 -24.875 1.00 0.00 C ATOM 0 H ILE A 67 -11.886 12.827 -22.156 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.152 15.268 -23.026 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.547 12.903 -23.960 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.052 14.357 -23.063 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -14.985 14.995 -24.299 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.251 11.560 -22.794 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.776 11.746 -21.815 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -15.223 12.710 -21.436 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -16.871 13.799 -25.299 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.339 12.970 -25.667 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.422 12.323 -24.411 1.00 0.00 H new ATOM 956 N SER A 68 -15.028 15.548 -21.216 1.00 0.00 N ATOM 957 CA SER A 68 -15.780 15.980 -20.044 1.00 0.00 C ATOM 958 C SER A 68 -16.769 14.904 -19.606 1.00 0.00 C ATOM 959 O SER A 68 -17.715 14.584 -20.326 1.00 0.00 O ATOM 960 CB SER A 68 -16.525 17.283 -20.342 1.00 0.00 C ATOM 961 OG SER A 68 -15.682 18.406 -20.158 1.00 0.00 O ATOM 0 H SER A 68 -15.382 15.909 -22.102 1.00 0.00 H new ATOM 0 HA SER A 68 -15.073 16.151 -19.232 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.896 17.267 -21.367 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.394 17.366 -19.689 1.00 0.00 H new ATOM 0 HG SER A 68 -16.181 19.226 -20.356 1.00 0.00 H new ATOM 967 N TYR A 69 -16.543 14.349 -18.420 1.00 0.00 N ATOM 968 CA TYR A 69 -17.412 13.308 -17.886 1.00 0.00 C ATOM 969 C TYR A 69 -17.213 13.151 -16.381 1.00 0.00 C ATOM 970 O TYR A 69 -16.133 13.420 -15.856 1.00 0.00 O ATOM 971 CB TYR A 69 -17.139 11.977 -18.588 1.00 0.00 C ATOM 972 CG TYR A 69 -15.861 11.305 -18.139 1.00 0.00 C ATOM 973 CD1 TYR A 69 -14.682 12.029 -18.006 1.00 0.00 C ATOM 974 CD2 TYR A 69 -15.832 9.947 -17.847 1.00 0.00 C ATOM 975 CE1 TYR A 69 -13.512 11.420 -17.596 1.00 0.00 C ATOM 976 CE2 TYR A 69 -14.667 9.330 -17.435 1.00 0.00 C ATOM 977 CZ TYR A 69 -13.509 10.070 -17.312 1.00 0.00 C ATOM 978 OH TYR A 69 -12.346 9.460 -16.902 1.00 0.00 O ATOM 0 H TYR A 69 -15.765 14.603 -17.811 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.445 13.603 -18.069 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.976 11.303 -18.408 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.092 12.146 -19.664 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -14.681 13.086 -18.227 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.736 9.364 -17.944 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.605 11.997 -17.498 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.662 8.274 -17.210 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.790 10.107 -16.419 1.00 0.00 H new ATOM 988 N GLN A 70 -18.264 12.714 -15.694 1.00 0.00 N ATOM 989 CA GLN A 70 -18.205 12.522 -14.250 1.00 0.00 C ATOM 990 C GLN A 70 -17.996 11.051 -13.905 1.00 0.00 C ATOM 991 O GLN A 70 -18.692 10.166 -14.404 1.00 0.00 O ATOM 992 CB GLN A 70 -19.488 13.035 -13.594 1.00 0.00 C ATOM 993 CG GLN A 70 -19.615 14.549 -13.607 1.00 0.00 C ATOM 994 CD GLN A 70 -20.848 15.038 -12.874 1.00 0.00 C ATOM 995 OE1 GLN A 70 -21.819 14.299 -12.707 1.00 0.00 O ATOM 996 NE2 GLN A 70 -20.817 16.290 -12.431 1.00 0.00 N ATOM 0 H GLN A 70 -19.165 12.487 -16.114 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.357 13.090 -13.867 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.347 12.602 -14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.524 12.685 -12.562 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -18.728 14.988 -13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.648 14.898 -14.639 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.992 16.867 -12.591 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -21.619 16.674 -11.930 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.015 10.781 -13.031 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.692 9.418 -12.599 1.00 0.00 C ATOM 1007 C PRO A 71 -17.779 8.817 -11.715 1.00 0.00 C ATOM 1008 O PRO A 71 -17.748 7.628 -11.401 1.00 0.00 O ATOM 1009 CB PRO A 71 -15.394 9.595 -11.807 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.433 11.005 -11.328 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.146 11.787 -12.396 1.00 0.00 C ATOM 0 HA PRO A 71 -16.602 8.733 -13.442 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.340 8.895 -10.973 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.520 9.413 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.957 11.079 -10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.426 11.391 -11.169 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.724 12.609 -11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.447 12.223 -13.110 1.00 0.00 H new ATOM 1019 N GLU A 72 -18.738 9.647 -11.316 1.00 0.00 N ATOM 1020 CA GLU A 72 -19.834 9.196 -10.467 1.00 0.00 C ATOM 1021 C GLU A 72 -20.804 8.319 -11.252 1.00 0.00 C ATOM 1022 O GLU A 72 -20.946 7.129 -10.973 1.00 0.00 O ATOM 1023 CB GLU A 72 -20.577 10.395 -9.876 1.00 0.00 C ATOM 1024 CG GLU A 72 -21.595 10.017 -8.813 1.00 0.00 C ATOM 1025 CD GLU A 72 -22.917 9.567 -9.405 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -23.784 10.434 -9.645 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -23.084 8.350 -9.627 1.00 0.00 O ATOM 0 H GLU A 72 -18.778 10.635 -11.567 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.411 8.604 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.852 11.084 -9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -21.084 10.929 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.188 9.218 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.766 10.872 -8.159 1.00 0.00 H new ATOM 1034 N ASN A 73 -21.471 8.916 -12.235 1.00 0.00 N ATOM 1035 CA ASN A 73 -22.429 8.190 -13.060 1.00 0.00 C ATOM 1036 C ASN A 73 -21.832 6.878 -13.561 1.00 0.00 C ATOM 1037 O ASN A 73 -22.463 5.824 -13.472 1.00 0.00 O ATOM 1038 CB ASN A 73 -22.867 9.051 -14.247 1.00 0.00 C ATOM 1039 CG ASN A 73 -23.824 10.154 -13.840 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -24.485 10.067 -12.804 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.903 11.199 -14.655 1.00 0.00 N ATOM 0 H ASN A 73 -21.365 9.901 -12.479 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.300 7.961 -12.445 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -21.988 9.492 -14.716 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.344 8.418 -14.995 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.530 11.972 -14.433 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.337 11.229 -15.503 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.614 6.952 -14.086 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.932 5.771 -14.599 1.00 0.00 C ATOM 1050 C ILE A 74 -20.174 4.562 -13.701 1.00 0.00 C ATOM 1051 O ILE A 74 -20.278 4.693 -12.482 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.415 6.007 -14.724 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.136 7.194 -15.648 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.725 4.753 -15.241 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -16.674 7.574 -15.720 1.00 0.00 C ATOM 0 H ILE A 74 -20.080 7.817 -14.167 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.344 5.574 -15.589 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.015 6.238 -13.736 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.490 6.955 -16.651 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.710 8.054 -15.304 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.654 4.935 -15.324 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.900 3.930 -14.549 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.126 4.495 -16.221 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.551 8.423 -16.393 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.319 7.845 -14.726 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.096 6.728 -16.093 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.262 3.386 -14.313 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.492 2.153 -13.569 1.00 0.00 C ATOM 1069 C ARG A 75 -19.950 0.948 -14.333 1.00 0.00 C ATOM 1070 O ARG A 75 -19.897 0.935 -15.563 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.985 1.968 -13.296 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.808 1.718 -14.549 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.292 1.923 -14.292 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.861 0.850 -13.481 1.00 0.00 N ATOM 1075 CZ ARG A 75 -25.954 0.990 -12.739 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -26.594 2.151 -12.707 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -26.410 -0.033 -12.028 1.00 0.00 N ATOM 0 H ARG A 75 -20.178 3.261 -15.322 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.963 2.227 -12.619 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -22.119 1.131 -12.611 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.366 2.856 -12.793 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.479 2.390 -15.342 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.636 0.701 -14.901 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.444 2.878 -13.788 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.821 1.977 -15.244 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.394 -0.057 -13.484 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.247 2.940 -13.253 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.433 2.255 -12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.921 -0.928 -12.051 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.249 0.075 -11.459 1.00 0.00 H new