USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=20 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 HE2:sc= -5.72! C(o=-6.2!,f=-11!) USER MOD Set 1.2: A 60 SER OG : rot -113:sc= -0.463 USER MOD Set 2.1: A 37 CYS SG : rot 96:sc= 0.329 USER MOD Set 2.2: A 39 HIS : no HD1:sc= -2.14 K(o=0.39,f=-0.22) USER MOD Set 2.3: A 62 CYS SG : rot 144:sc= 1.46 USER MOD Set 2.4: A 65 CYS SG : rot -49:sc= 0.752 USER MOD Set 3.1: A 22 CYS SG : rot 97:sc= 0.579! USER MOD Set 3.2: A 25 CYS SG : rot -60:sc= -1.48 USER MOD Set 3.3: A 42 CYS SG : rot 85:sc= 0.192 USER MOD Set 3.4: A 45 CYS SG : rot 126: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= -0.145 X(o=-0.14,f=-0.14) 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= -0.202 X(o=-0.2,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.8!) 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 82:sc= 0.147 USER MOD Single : A 54 MET CE :methyl 143:sc= -0.207 (180deg=-1.6) USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= -0.0946 (180deg=-1.93!) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00934 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 165:sc= -0.298 USER MOD Single : A 70 GLN : amide:sc= -0.329 K(o=-0.33,f=-2.6!) USER MOD Single : A 73 ASN : amide:sc= -0.0303 K(o=-0.03,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.357 -9.245 -26.531 1.00 0.00 N ATOM 233 CA GLU A 19 -5.764 -8.232 -27.497 1.00 0.00 C ATOM 234 C GLU A 19 -6.119 -6.923 -26.797 1.00 0.00 C ATOM 235 O GLU A 19 -5.846 -5.838 -27.309 1.00 0.00 O ATOM 236 CB GLU A 19 -6.959 -8.725 -28.315 1.00 0.00 C ATOM 237 CG GLU A 19 -8.187 -9.033 -27.475 1.00 0.00 C ATOM 238 CD GLU A 19 -9.468 -9.017 -28.286 1.00 0.00 C ATOM 239 OE1 GLU A 19 -9.826 -10.072 -28.850 1.00 0.00 O ATOM 240 OE2 GLU A 19 -10.112 -7.950 -28.356 1.00 0.00 O ATOM 0 HA GLU A 19 -4.924 -8.050 -28.168 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.217 -7.969 -29.057 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.669 -9.622 -28.862 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.068 -10.012 -27.010 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.263 -8.304 -26.668 1.00 0.00 H new ATOM 247 N VAL A 20 -6.729 -7.035 -25.621 1.00 0.00 N ATOM 248 CA VAL A 20 -7.122 -5.863 -24.849 1.00 0.00 C ATOM 249 C VAL A 20 -6.066 -5.513 -23.806 1.00 0.00 C ATOM 250 O VAL A 20 -5.814 -6.283 -22.878 1.00 0.00 O ATOM 251 CB VAL A 20 -8.473 -6.082 -24.142 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.841 -4.868 -23.304 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.562 -6.388 -25.159 1.00 0.00 C ATOM 0 H VAL A 20 -6.962 -7.926 -25.182 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.220 -5.038 -25.555 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.379 -6.939 -23.474 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.798 -5.042 -22.813 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.072 -4.699 -22.551 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.917 -3.991 -23.947 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.510 -6.540 -24.643 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.657 -5.553 -25.853 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.301 -7.291 -25.711 1.00 0.00 H new ATOM 263 N THR A 21 -5.451 -4.345 -23.963 1.00 0.00 N ATOM 264 CA THR A 21 -4.422 -3.892 -23.036 1.00 0.00 C ATOM 265 C THR A 21 -4.789 -2.547 -22.421 1.00 0.00 C ATOM 266 O THR A 21 -5.480 -1.738 -23.040 1.00 0.00 O ATOM 267 CB THR A 21 -3.053 -3.770 -23.732 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.790 -4.945 -24.507 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.943 -3.571 -22.712 1.00 0.00 C ATOM 0 H THR A 21 -5.648 -3.695 -24.724 1.00 0.00 H new ATOM 0 HA THR A 21 -4.355 -4.642 -22.248 1.00 0.00 H new ATOM 0 HB THR A 21 -3.081 -2.901 -24.389 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.919 -4.858 -24.947 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.986 -3.488 -23.227 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.130 -2.660 -22.144 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.916 -4.423 -22.033 1.00 0.00 H new ATOM 277 N CYS A 22 -4.321 -2.313 -21.199 1.00 0.00 N ATOM 278 CA CYS A 22 -4.600 -1.064 -20.500 1.00 0.00 C ATOM 279 C CYS A 22 -3.677 0.049 -20.986 1.00 0.00 C ATOM 280 O CYS A 22 -2.452 -0.072 -20.965 1.00 0.00 O ATOM 281 CB CYS A 22 -4.437 -1.254 -18.990 1.00 0.00 C ATOM 282 SG CYS A 22 -4.787 0.241 -18.011 1.00 0.00 S ATOM 0 H CYS A 22 -3.747 -2.972 -20.673 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.630 -0.778 -20.715 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.100 -2.054 -18.662 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.418 -1.580 -18.784 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.009 0.194 -17.569 1.00 0.00 H new ATOM 287 N PRO A 23 -4.277 1.162 -21.434 1.00 0.00 N ATOM 288 CA PRO A 23 -3.528 2.319 -21.933 1.00 0.00 C ATOM 289 C PRO A 23 -2.784 3.051 -20.821 1.00 0.00 C ATOM 290 O PRO A 23 -2.119 4.058 -21.066 1.00 0.00 O ATOM 291 CB PRO A 23 -4.617 3.216 -22.528 1.00 0.00 C ATOM 292 CG PRO A 23 -5.858 2.843 -21.794 1.00 0.00 C ATOM 293 CD PRO A 23 -5.733 1.376 -21.487 1.00 0.00 C ATOM 0 HA PRO A 23 -2.758 2.029 -22.647 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.379 4.271 -22.392 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.726 3.049 -23.600 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.960 3.426 -20.879 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.743 3.041 -22.398 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.211 1.121 -20.541 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.202 0.763 -22.257 1.00 0.00 H new ATOM 301 N ILE A 24 -2.900 2.538 -19.601 1.00 0.00 N ATOM 302 CA ILE A 24 -2.236 3.143 -18.453 1.00 0.00 C ATOM 303 C ILE A 24 -1.053 2.297 -17.993 1.00 0.00 C ATOM 304 O ILE A 24 0.104 2.690 -18.151 1.00 0.00 O ATOM 305 CB ILE A 24 -3.208 3.328 -17.273 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.178 4.477 -17.559 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.438 3.587 -15.987 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.496 4.351 -16.828 1.00 0.00 C ATOM 0 H ILE A 24 -3.447 1.705 -19.382 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.878 4.121 -18.776 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.785 2.411 -17.150 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.705 5.419 -17.280 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.369 4.522 -18.631 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.139 3.716 -15.163 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.784 2.741 -15.778 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.838 4.491 -16.098 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.133 5.199 -17.078 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.990 3.426 -17.125 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.316 4.337 -15.753 1.00 0.00 H new ATOM 320 N CYS A 25 -1.350 1.133 -17.426 1.00 0.00 N ATOM 321 CA CYS A 25 -0.312 0.230 -16.945 1.00 0.00 C ATOM 322 C CYS A 25 0.276 -0.584 -18.093 1.00 0.00 C ATOM 323 O CYS A 25 1.255 -1.311 -17.917 1.00 0.00 O ATOM 324 CB CYS A 25 -0.878 -0.709 -15.877 1.00 0.00 C ATOM 325 SG CYS A 25 -2.275 -1.729 -16.449 1.00 0.00 S ATOM 0 H CYS A 25 -2.302 0.793 -17.288 1.00 0.00 H new ATOM 0 HA CYS A 25 0.483 0.832 -16.506 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.082 -1.366 -15.527 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.201 -0.116 -15.021 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.247 -0.957 -16.836 1.00 0.00 H new ATOM 330 N LEU A 26 -0.327 -0.458 -19.270 1.00 0.00 N ATOM 331 CA LEU A 26 0.137 -1.181 -20.449 1.00 0.00 C ATOM 332 C LEU A 26 0.179 -2.683 -20.185 1.00 0.00 C ATOM 333 O LEU A 26 1.042 -3.389 -20.705 1.00 0.00 O ATOM 334 CB LEU A 26 1.523 -0.685 -20.864 1.00 0.00 C ATOM 335 CG LEU A 26 1.639 0.810 -21.163 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.968 1.118 -21.836 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.479 1.272 -22.034 1.00 0.00 C ATOM 0 H LEU A 26 -1.138 0.138 -19.433 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.566 -0.993 -21.260 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.228 -0.932 -20.070 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.834 -1.238 -21.750 1.00 0.00 H new ATOM 0 HG LEU A 26 1.598 1.354 -20.219 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.033 2.187 -22.041 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.786 0.825 -21.178 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.039 0.564 -22.772 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.578 2.338 -22.236 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.489 0.722 -22.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.462 1.087 -21.515 1.00 0.00 H new ATOM 349 N GLU A 27 -0.759 -3.163 -19.375 1.00 0.00 N ATOM 350 CA GLU A 27 -0.828 -4.581 -19.044 1.00 0.00 C ATOM 351 C GLU A 27 -2.064 -5.225 -19.665 1.00 0.00 C ATOM 352 O GLU A 27 -2.972 -4.534 -20.128 1.00 0.00 O ATOM 353 CB GLU A 27 -0.849 -4.772 -17.526 1.00 0.00 C ATOM 354 CG GLU A 27 0.322 -4.116 -16.814 1.00 0.00 C ATOM 355 CD GLU A 27 0.691 -4.823 -15.524 1.00 0.00 C ATOM 356 OE1 GLU A 27 -0.178 -4.920 -14.632 1.00 0.00 O ATOM 357 OE2 GLU A 27 1.848 -5.279 -15.406 1.00 0.00 O ATOM 0 H GLU A 27 -1.481 -2.591 -18.936 1.00 0.00 H new ATOM 0 HA GLU A 27 0.058 -5.067 -19.453 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.779 -4.364 -17.130 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.848 -5.839 -17.302 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.186 -4.105 -17.478 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.074 -3.077 -16.596 1.00 0.00 H new ATOM 364 N LEU A 28 -2.091 -6.553 -19.672 1.00 0.00 N ATOM 365 CA LEU A 28 -3.215 -7.293 -20.237 1.00 0.00 C ATOM 366 C LEU A 28 -4.498 -7.009 -19.463 1.00 0.00 C ATOM 367 O LEU A 28 -4.662 -7.456 -18.327 1.00 0.00 O ATOM 368 CB LEU A 28 -2.920 -8.794 -20.226 1.00 0.00 C ATOM 369 CG LEU A 28 -4.139 -9.717 -20.232 1.00 0.00 C ATOM 370 CD1 LEU A 28 -5.107 -9.317 -21.335 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.709 -11.167 -20.397 1.00 0.00 C ATOM 0 H LEU A 28 -1.348 -7.140 -19.293 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.354 -6.964 -21.267 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.306 -9.030 -21.095 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.322 -9.020 -19.343 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.651 -9.617 -19.275 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.968 -9.985 -21.323 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.441 -8.292 -21.172 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.607 -9.386 -22.301 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.589 -11.810 -20.399 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.173 -11.283 -21.339 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.056 -11.449 -19.571 1.00 0.00 H new ATOM 383 N LEU A 29 -5.406 -6.265 -20.085 1.00 0.00 N ATOM 384 CA LEU A 29 -6.676 -5.923 -19.455 1.00 0.00 C ATOM 385 C LEU A 29 -7.589 -7.143 -19.372 1.00 0.00 C ATOM 386 O LEU A 29 -8.169 -7.568 -20.371 1.00 0.00 O ATOM 387 CB LEU A 29 -7.371 -4.805 -20.236 1.00 0.00 C ATOM 388 CG LEU A 29 -7.012 -3.377 -19.825 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.772 -2.370 -20.675 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.303 -3.157 -18.348 1.00 0.00 C ATOM 0 H LEU A 29 -5.286 -5.887 -21.025 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.469 -5.577 -18.442 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.136 -4.927 -21.293 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.449 -4.932 -20.132 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.945 -3.230 -19.990 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.504 -1.359 -20.368 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.514 -2.511 -21.724 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.844 -2.517 -20.542 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.041 -2.135 -18.074 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.363 -3.324 -18.157 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.713 -3.855 -17.753 1.00 0.00 H new ATOM 402 N THR A 30 -7.713 -7.701 -18.171 1.00 0.00 N ATOM 403 CA THR A 30 -8.555 -8.871 -17.956 1.00 0.00 C ATOM 404 C THR A 30 -9.915 -8.474 -17.395 1.00 0.00 C ATOM 405 O THR A 30 -10.949 -8.978 -17.834 1.00 0.00 O ATOM 406 CB THR A 30 -7.889 -9.874 -16.996 1.00 0.00 C ATOM 407 OG1 THR A 30 -8.757 -10.990 -16.773 1.00 0.00 O ATOM 408 CG2 THR A 30 -7.556 -9.211 -15.667 1.00 0.00 C ATOM 0 H THR A 30 -7.241 -7.361 -17.333 1.00 0.00 H new ATOM 0 HA THR A 30 -8.691 -9.345 -18.928 1.00 0.00 H new ATOM 0 HB THR A 30 -6.963 -10.221 -17.454 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.325 -11.624 -16.163 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.086 -9.939 -15.005 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.872 -8.380 -15.836 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.471 -8.839 -15.206 1.00 0.00 H new ATOM 416 N GLN A 31 -9.908 -7.567 -16.424 1.00 0.00 N ATOM 417 CA GLN A 31 -11.142 -7.103 -15.803 1.00 0.00 C ATOM 418 C GLN A 31 -11.287 -5.591 -15.944 1.00 0.00 C ATOM 419 O GLN A 31 -11.517 -4.872 -14.971 1.00 0.00 O ATOM 420 CB GLN A 31 -11.174 -7.494 -14.324 1.00 0.00 C ATOM 421 CG GLN A 31 -11.402 -8.979 -14.093 1.00 0.00 C ATOM 422 CD GLN A 31 -12.735 -9.456 -14.637 1.00 0.00 C ATOM 423 OE1 GLN A 31 -12.790 -10.176 -15.634 1.00 0.00 O ATOM 424 NE2 GLN A 31 -13.819 -9.057 -13.981 1.00 0.00 N ATOM 0 H GLN A 31 -9.061 -7.139 -16.050 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.978 -7.580 -16.315 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.232 -7.203 -13.859 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.963 -6.932 -13.825 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.598 -9.544 -14.565 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.354 -9.188 -13.024 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.727 -8.460 -13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.744 -9.347 -14.299 1.00 0.00 H new ATOM 433 N PRO A 32 -11.150 -5.096 -17.182 1.00 0.00 N ATOM 434 CA PRO A 32 -11.262 -3.664 -17.480 1.00 0.00 C ATOM 435 C PRO A 32 -12.689 -3.151 -17.327 1.00 0.00 C ATOM 436 O PRO A 32 -13.635 -3.934 -17.233 1.00 0.00 O ATOM 437 CB PRO A 32 -10.812 -3.569 -18.940 1.00 0.00 C ATOM 438 CG PRO A 32 -11.091 -4.917 -19.510 1.00 0.00 C ATOM 439 CD PRO A 32 -10.875 -5.895 -18.388 1.00 0.00 C ATOM 0 HA PRO A 32 -10.667 -3.057 -16.797 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.360 -2.792 -19.474 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.753 -3.320 -19.013 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.111 -4.977 -19.889 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.427 -5.131 -20.348 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.546 -6.750 -18.465 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.858 -6.287 -18.387 1.00 0.00 H new ATOM 447 N LEU A 33 -12.839 -1.831 -17.304 1.00 0.00 N ATOM 448 CA LEU A 33 -14.152 -1.212 -17.164 1.00 0.00 C ATOM 449 C LEU A 33 -14.602 -0.584 -18.479 1.00 0.00 C ATOM 450 O LEU A 33 -13.881 -0.624 -19.476 1.00 0.00 O ATOM 451 CB LEU A 33 -14.123 -0.151 -16.063 1.00 0.00 C ATOM 452 CG LEU A 33 -13.521 -0.587 -14.726 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.691 0.506 -13.682 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.160 -1.884 -14.252 1.00 0.00 C ATOM 0 H LEU A 33 -12.067 -1.169 -17.381 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.865 -1.990 -16.892 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.561 0.708 -16.429 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.144 0.188 -15.886 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.455 -0.761 -14.869 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.257 0.178 -12.738 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.186 1.412 -14.018 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.752 0.713 -13.541 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.720 -2.180 -13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.233 -1.736 -14.126 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.986 -2.667 -14.991 1.00 0.00 H new ATOM 466 N SER A 34 -15.797 -0.001 -18.473 1.00 0.00 N ATOM 467 CA SER A 34 -16.343 0.634 -19.666 1.00 0.00 C ATOM 468 C SER A 34 -16.709 2.089 -19.387 1.00 0.00 C ATOM 469 O SER A 34 -17.212 2.420 -18.313 1.00 0.00 O ATOM 470 CB SER A 34 -17.575 -0.128 -20.157 1.00 0.00 C ATOM 471 OG SER A 34 -18.147 0.502 -21.290 1.00 0.00 O ATOM 0 H SER A 34 -16.405 0.044 -17.655 1.00 0.00 H new ATOM 0 HA SER A 34 -15.578 0.612 -20.442 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.297 -1.152 -20.408 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.314 -0.185 -19.357 1.00 0.00 H new ATOM 0 HG SER A 34 -18.932 -0.006 -21.585 1.00 0.00 H new ATOM 477 N LEU A 35 -16.452 2.954 -20.362 1.00 0.00 N ATOM 478 CA LEU A 35 -16.754 4.375 -20.223 1.00 0.00 C ATOM 479 C LEU A 35 -17.648 4.855 -21.362 1.00 0.00 C ATOM 480 O LEU A 35 -17.859 4.141 -22.343 1.00 0.00 O ATOM 481 CB LEU A 35 -15.461 5.191 -20.196 1.00 0.00 C ATOM 482 CG LEU A 35 -14.367 4.684 -19.256 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.082 5.472 -19.457 1.00 0.00 C ATOM 484 CD2 LEU A 35 -14.827 4.770 -17.807 1.00 0.00 C ATOM 0 H LEU A 35 -16.036 2.697 -21.257 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.286 4.518 -19.283 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.056 5.226 -21.207 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.707 6.215 -19.916 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.168 3.639 -19.492 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.315 5.097 -18.779 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.743 5.359 -20.487 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.265 6.526 -19.249 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.036 4.405 -17.152 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.055 5.807 -17.558 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.720 4.160 -17.672 1.00 0.00 H new ATOM 496 N ASP A 36 -18.169 6.069 -21.226 1.00 0.00 N ATOM 497 CA ASP A 36 -19.038 6.647 -22.245 1.00 0.00 C ATOM 498 C ASP A 36 -18.225 7.433 -23.270 1.00 0.00 C ATOM 499 O ASP A 36 -18.652 8.488 -23.739 1.00 0.00 O ATOM 500 CB ASP A 36 -20.083 7.558 -21.599 1.00 0.00 C ATOM 501 CG ASP A 36 -20.658 6.966 -20.327 1.00 0.00 C ATOM 502 OD1 ASP A 36 -21.563 6.112 -20.427 1.00 0.00 O ATOM 503 OD2 ASP A 36 -20.204 7.358 -19.231 1.00 0.00 O ATOM 0 H ASP A 36 -18.005 6.672 -20.420 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.547 5.831 -22.758 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -19.630 8.524 -21.375 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.890 7.741 -22.309 1.00 0.00 H new ATOM 508 N CYS A 37 -17.052 6.911 -23.613 1.00 0.00 N ATOM 509 CA CYS A 37 -16.179 7.563 -24.581 1.00 0.00 C ATOM 510 C CYS A 37 -15.662 6.561 -25.609 1.00 0.00 C ATOM 511 O CYS A 37 -15.433 6.906 -26.768 1.00 0.00 O ATOM 512 CB CYS A 37 -15.001 8.231 -23.867 1.00 0.00 C ATOM 513 SG CYS A 37 -13.745 7.063 -23.253 1.00 0.00 S ATOM 0 H CYS A 37 -16.684 6.038 -23.235 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.760 8.324 -25.102 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.525 8.933 -24.552 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -15.381 8.813 -23.028 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.778 6.971 -24.117 1.00 0.00 H new ATOM 518 N GLY A 38 -15.481 5.317 -25.176 1.00 0.00 N ATOM 519 CA GLY A 38 -14.993 4.283 -26.071 1.00 0.00 C ATOM 520 C GLY A 38 -13.586 3.836 -25.728 1.00 0.00 C ATOM 521 O GLY A 38 -12.767 3.603 -26.617 1.00 0.00 O ATOM 0 H GLY A 38 -15.663 5.007 -24.222 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.664 3.425 -26.030 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.013 4.654 -27.096 1.00 0.00 H new ATOM 525 N HIS A 39 -13.303 3.718 -24.434 1.00 0.00 N ATOM 526 CA HIS A 39 -11.984 3.296 -23.975 1.00 0.00 C ATOM 527 C HIS A 39 -12.082 2.558 -22.644 1.00 0.00 C ATOM 528 O HIS A 39 -12.728 3.029 -21.708 1.00 0.00 O ATOM 529 CB HIS A 39 -11.060 4.506 -23.834 1.00 0.00 C ATOM 530 CG HIS A 39 -10.725 5.160 -25.139 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.862 6.514 -25.360 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.255 4.637 -26.296 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.492 6.796 -26.596 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.119 5.674 -27.186 1.00 0.00 N ATOM 0 H HIS A 39 -13.969 3.909 -23.685 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.568 2.615 -24.717 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.533 5.239 -23.180 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.137 4.193 -23.347 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.029 3.598 -26.484 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.494 7.777 -27.048 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.785 5.592 -28.146 1.00 0.00 H new ATOM 542 N SER A 40 -11.438 1.398 -22.567 1.00 0.00 N ATOM 543 CA SER A 40 -11.457 0.592 -21.352 1.00 0.00 C ATOM 544 C SER A 40 -10.249 0.905 -20.474 1.00 0.00 C ATOM 545 O SER A 40 -9.265 1.483 -20.935 1.00 0.00 O ATOM 546 CB SER A 40 -11.474 -0.897 -21.703 1.00 0.00 C ATOM 547 OG SER A 40 -12.141 -1.124 -22.932 1.00 0.00 O ATOM 0 H SER A 40 -10.896 0.995 -23.332 1.00 0.00 H new ATOM 0 HA SER A 40 -12.362 0.838 -20.796 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.452 -1.271 -21.766 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.969 -1.455 -20.909 1.00 0.00 H new ATOM 0 HG SER A 40 -12.137 -2.083 -23.134 1.00 0.00 H new ATOM 553 N PHE A 41 -10.333 0.521 -19.205 1.00 0.00 N ATOM 554 CA PHE A 41 -9.249 0.761 -18.260 1.00 0.00 C ATOM 555 C PHE A 41 -9.382 -0.142 -17.037 1.00 0.00 C ATOM 556 O PHE A 41 -10.352 -0.890 -16.907 1.00 0.00 O ATOM 557 CB PHE A 41 -9.238 2.228 -17.826 1.00 0.00 C ATOM 558 CG PHE A 41 -9.127 3.192 -18.972 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.241 3.521 -19.728 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.910 3.770 -19.294 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.142 4.407 -20.784 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.805 4.657 -20.349 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.923 4.976 -21.094 1.00 0.00 C ATOM 0 H PHE A 41 -11.141 0.042 -18.807 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.308 0.530 -18.759 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.151 2.441 -17.270 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.404 2.390 -17.143 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.197 3.080 -19.489 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.033 3.525 -18.714 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.017 4.654 -21.366 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.850 5.100 -20.590 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.844 5.670 -21.918 1.00 0.00 H new ATOM 573 N CYS A 42 -8.402 -0.067 -16.144 1.00 0.00 N ATOM 574 CA CYS A 42 -8.407 -0.878 -14.932 1.00 0.00 C ATOM 575 C CYS A 42 -9.231 -0.209 -13.835 1.00 0.00 C ATOM 576 O CYS A 42 -9.166 1.006 -13.650 1.00 0.00 O ATOM 577 CB CYS A 42 -6.976 -1.109 -14.442 1.00 0.00 C ATOM 578 SG CYS A 42 -5.945 -2.079 -15.588 1.00 0.00 S ATOM 0 H CYS A 42 -7.593 0.548 -16.236 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.862 -1.840 -15.169 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.501 -0.143 -14.272 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.011 -1.620 -13.480 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.427 -1.288 -16.480 1.00 0.00 H new ATOM 583 N GLN A 43 -10.004 -1.012 -13.111 1.00 0.00 N ATOM 584 CA GLN A 43 -10.840 -0.499 -12.032 1.00 0.00 C ATOM 585 C GLN A 43 -10.016 0.329 -11.051 1.00 0.00 C ATOM 586 O GLN A 43 -10.563 1.077 -10.242 1.00 0.00 O ATOM 587 CB GLN A 43 -11.525 -1.651 -11.296 1.00 0.00 C ATOM 588 CG GLN A 43 -12.289 -1.213 -10.057 1.00 0.00 C ATOM 589 CD GLN A 43 -13.454 -2.129 -9.736 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.520 -1.674 -9.321 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.255 -3.428 -9.926 1.00 0.00 N ATOM 0 H GLN A 43 -10.069 -2.020 -13.252 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.602 0.145 -12.472 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.213 -2.150 -11.979 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.773 -2.385 -11.008 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.608 -1.185 -9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.659 -0.198 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.355 -3.761 -10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.002 -4.093 -9.726 1.00 0.00 H new ATOM 600 N ALA A 44 -8.696 0.188 -11.128 1.00 0.00 N ATOM 601 CA ALA A 44 -7.797 0.923 -10.248 1.00 0.00 C ATOM 602 C ALA A 44 -7.132 2.080 -10.986 1.00 0.00 C ATOM 603 O ALA A 44 -7.162 3.222 -10.526 1.00 0.00 O ATOM 604 CB ALA A 44 -6.744 -0.011 -9.669 1.00 0.00 C ATOM 0 H ALA A 44 -8.226 -0.429 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.387 1.338 -9.431 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.079 0.552 -9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.232 -0.801 -9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.165 -0.454 -10.480 1.00 0.00 H new ATOM 610 N CYS A 45 -6.531 1.778 -12.132 1.00 0.00 N ATOM 611 CA CYS A 45 -5.857 2.792 -12.933 1.00 0.00 C ATOM 612 C CYS A 45 -6.764 3.998 -13.159 1.00 0.00 C ATOM 613 O CYS A 45 -6.303 5.140 -13.186 1.00 0.00 O ATOM 614 CB CYS A 45 -5.426 2.206 -14.279 1.00 0.00 C ATOM 615 SG CYS A 45 -4.148 0.914 -14.151 1.00 0.00 S ATOM 0 H CYS A 45 -6.497 0.838 -12.527 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.973 3.121 -12.387 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.300 1.789 -14.779 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.052 3.011 -14.911 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.553 -0.159 -14.763 1.00 0.00 H new ATOM 620 N LEU A 46 -8.057 3.737 -13.321 1.00 0.00 N ATOM 621 CA LEU A 46 -9.030 4.801 -13.544 1.00 0.00 C ATOM 622 C LEU A 46 -9.132 5.711 -12.324 1.00 0.00 C ATOM 623 O LEU A 46 -9.068 6.935 -12.441 1.00 0.00 O ATOM 624 CB LEU A 46 -10.401 4.205 -13.866 1.00 0.00 C ATOM 625 CG LEU A 46 -10.730 4.040 -15.350 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.726 2.909 -15.554 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.272 5.341 -15.924 1.00 0.00 C ATOM 0 H LEU A 46 -8.456 2.798 -13.302 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.692 5.397 -14.391 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.471 3.228 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.165 4.837 -13.413 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.812 3.787 -15.880 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.948 2.807 -16.616 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.300 1.978 -15.181 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.645 3.131 -15.011 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.501 5.205 -16.981 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.179 5.624 -15.390 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.525 6.127 -15.813 1.00 0.00 H new ATOM 639 N THR A 47 -9.289 5.104 -11.151 1.00 0.00 N ATOM 640 CA THR A 47 -9.399 5.858 -9.909 1.00 0.00 C ATOM 641 C THR A 47 -8.210 6.794 -9.727 1.00 0.00 C ATOM 642 O THR A 47 -8.378 7.974 -9.420 1.00 0.00 O ATOM 643 CB THR A 47 -9.492 4.922 -8.690 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.725 4.194 -8.723 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.399 5.712 -7.393 1.00 0.00 C ATOM 0 H THR A 47 -9.343 4.092 -11.036 1.00 0.00 H new ATOM 0 HA THR A 47 -10.314 6.446 -9.977 1.00 0.00 H new ATOM 0 HB THR A 47 -8.657 4.223 -8.733 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.775 3.600 -7.945 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.467 5.030 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.447 6.241 -7.357 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.216 6.432 -7.346 1.00 0.00 H new ATOM 653 N ALA A 48 -7.008 6.261 -9.920 1.00 0.00 N ATOM 654 CA ALA A 48 -5.790 7.050 -9.780 1.00 0.00 C ATOM 655 C ALA A 48 -5.735 8.163 -10.820 1.00 0.00 C ATOM 656 O ALA A 48 -5.464 9.318 -10.493 1.00 0.00 O ATOM 657 CB ALA A 48 -4.565 6.155 -9.896 1.00 0.00 C ATOM 0 H ALA A 48 -6.852 5.286 -10.174 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.797 7.511 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.663 6.757 -9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.591 5.399 -9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.562 5.667 -10.870 1.00 0.00 H new ATOM 663 N ASN A 49 -5.994 7.808 -12.075 1.00 0.00 N ATOM 664 CA ASN A 49 -5.972 8.778 -13.163 1.00 0.00 C ATOM 665 C ASN A 49 -6.783 10.019 -12.803 1.00 0.00 C ATOM 666 O ASN A 49 -6.412 11.140 -13.152 1.00 0.00 O ATOM 667 CB ASN A 49 -6.522 8.150 -14.445 1.00 0.00 C ATOM 668 CG ASN A 49 -6.053 8.874 -15.692 1.00 0.00 C ATOM 669 OD1 ASN A 49 -5.330 8.312 -16.515 1.00 0.00 O ATOM 670 ND2 ASN A 49 -6.463 10.129 -15.837 1.00 0.00 N ATOM 0 H ASN A 49 -6.221 6.856 -12.363 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.937 9.078 -13.328 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.213 7.106 -14.496 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.611 8.158 -14.412 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.179 10.667 -16.656 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.062 10.555 -15.130 1.00 0.00 H new ATOM 677 N HIS A 50 -7.893 9.810 -12.102 1.00 0.00 N ATOM 678 CA HIS A 50 -8.757 10.912 -11.693 1.00 0.00 C ATOM 679 C HIS A 50 -8.073 11.777 -10.639 1.00 0.00 C ATOM 680 O HIS A 50 -8.378 12.961 -10.498 1.00 0.00 O ATOM 681 CB HIS A 50 -10.080 10.374 -11.147 1.00 0.00 C ATOM 682 CG HIS A 50 -11.011 9.880 -12.211 1.00 0.00 C ATOM 683 ND1 HIS A 50 -10.749 8.767 -12.982 1.00 0.00 N ATOM 684 CD2 HIS A 50 -12.208 10.352 -12.630 1.00 0.00 C ATOM 685 CE1 HIS A 50 -11.744 8.577 -13.830 1.00 0.00 C ATOM 686 NE2 HIS A 50 -12.642 9.526 -13.637 1.00 0.00 N ATOM 0 H HIS A 50 -8.215 8.889 -11.806 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.957 11.529 -12.569 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.873 9.561 -10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.576 11.161 -10.579 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -9.917 8.182 -12.909 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.726 11.218 -12.244 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.812 7.781 -14.557 1.00 0.00 H new ATOM 694 N LYS A 51 -7.145 11.177 -9.900 1.00 0.00 N ATOM 695 CA LYS A 51 -6.416 11.892 -8.858 1.00 0.00 C ATOM 696 C LYS A 51 -5.386 12.837 -9.467 1.00 0.00 C ATOM 697 O LYS A 51 -5.361 14.029 -9.156 1.00 0.00 O ATOM 698 CB LYS A 51 -5.723 10.901 -7.921 1.00 0.00 C ATOM 699 CG LYS A 51 -6.605 9.734 -7.511 1.00 0.00 C ATOM 700 CD LYS A 51 -7.423 10.061 -6.273 1.00 0.00 C ATOM 701 CE LYS A 51 -6.573 10.010 -5.013 1.00 0.00 C ATOM 702 NZ LYS A 51 -7.332 10.462 -3.813 1.00 0.00 N ATOM 0 H LYS A 51 -6.880 10.197 -10.003 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.133 12.482 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.829 10.515 -8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.394 11.429 -7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.274 9.476 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.985 8.859 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.862 11.053 -6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.249 9.355 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.218 8.992 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.692 10.638 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.718 10.413 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.650 11.442 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.159 9.847 -3.673 1.00 0.00 H new ATOM 716 N LYS A 52 -4.537 12.300 -10.337 1.00 0.00 N ATOM 717 CA LYS A 52 -3.506 13.096 -10.992 1.00 0.00 C ATOM 718 C LYS A 52 -4.106 14.342 -11.634 1.00 0.00 C ATOM 719 O LYS A 52 -3.490 15.408 -11.639 1.00 0.00 O ATOM 720 CB LYS A 52 -2.784 12.260 -12.052 1.00 0.00 C ATOM 721 CG LYS A 52 -3.390 12.383 -13.439 1.00 0.00 C ATOM 722 CD LYS A 52 -2.813 13.567 -14.196 1.00 0.00 C ATOM 723 CE LYS A 52 -1.376 13.311 -14.622 1.00 0.00 C ATOM 724 NZ LYS A 52 -1.302 12.620 -15.939 1.00 0.00 N ATOM 0 H LYS A 52 -4.543 11.316 -10.605 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.788 13.410 -10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.738 12.565 -12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.799 11.213 -11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.206 11.467 -14.000 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.471 12.495 -13.356 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.424 13.770 -15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.854 14.457 -13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.840 14.258 -14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.875 12.706 -13.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.306 12.464 -16.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.792 11.704 -15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.757 13.209 -16.666 1.00 0.00 H new ATOM 738 N SER A 53 -5.312 14.201 -12.175 1.00 0.00 N ATOM 739 CA SER A 53 -5.995 15.315 -12.822 1.00 0.00 C ATOM 740 C SER A 53 -6.718 16.180 -11.794 1.00 0.00 C ATOM 741 O SER A 53 -7.641 16.922 -12.130 1.00 0.00 O ATOM 742 CB SER A 53 -6.991 14.797 -13.860 1.00 0.00 C ATOM 743 OG SER A 53 -6.375 13.876 -14.744 1.00 0.00 O ATOM 0 H SER A 53 -5.836 13.326 -12.178 1.00 0.00 H new ATOM 0 HA SER A 53 -5.245 15.927 -13.323 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.829 14.316 -13.356 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.398 15.634 -14.428 1.00 0.00 H new ATOM 0 HG SER A 53 -6.343 12.991 -14.324 1.00 0.00 H new ATOM 749 N MET A 54 -6.292 16.078 -10.539 1.00 0.00 N ATOM 750 CA MET A 54 -6.898 16.852 -9.461 1.00 0.00 C ATOM 751 C MET A 54 -6.040 18.064 -9.114 1.00 0.00 C ATOM 752 O MET A 54 -6.559 19.130 -8.781 1.00 0.00 O ATOM 753 CB MET A 54 -7.090 15.976 -8.222 1.00 0.00 C ATOM 754 CG MET A 54 -8.193 16.464 -7.298 1.00 0.00 C ATOM 755 SD MET A 54 -9.773 16.661 -8.145 1.00 0.00 S ATOM 756 CE MET A 54 -10.008 15.015 -8.810 1.00 0.00 C ATOM 0 H MET A 54 -5.530 15.468 -10.243 1.00 0.00 H new ATOM 0 HA MET A 54 -7.871 17.204 -9.802 1.00 0.00 H new ATOM 0 HB2 MET A 54 -7.316 14.958 -8.539 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.153 15.936 -7.667 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.312 15.758 -6.476 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.899 17.418 -6.860 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.064 14.751 -8.763 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.674 14.990 -9.847 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.429 14.300 -8.225 1.00 0.00 H new ATOM 766 N LEU A 55 -4.724 17.894 -9.192 1.00 0.00 N ATOM 767 CA LEU A 55 -3.794 18.975 -8.885 1.00 0.00 C ATOM 768 C LEU A 55 -3.561 19.857 -10.107 1.00 0.00 C ATOM 769 O LEU A 55 -3.475 21.080 -9.996 1.00 0.00 O ATOM 770 CB LEU A 55 -2.463 18.404 -8.393 1.00 0.00 C ATOM 771 CG LEU A 55 -1.909 17.216 -9.181 1.00 0.00 C ATOM 772 CD1 LEU A 55 -0.389 17.211 -9.142 1.00 0.00 C ATOM 773 CD2 LEU A 55 -2.463 15.909 -8.635 1.00 0.00 C ATOM 0 H LEU A 55 -4.278 17.018 -9.465 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.234 19.587 -8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.721 19.202 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.583 18.100 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.224 17.315 -10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.013 16.359 -9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.011 18.134 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.052 17.137 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.058 15.075 -9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.179 15.802 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.550 15.912 -8.717 1.00 0.00 H new ATOM 785 N ASP A 56 -3.462 19.228 -11.274 1.00 0.00 N ATOM 786 CA ASP A 56 -3.243 19.956 -12.518 1.00 0.00 C ATOM 787 C ASP A 56 -4.315 21.022 -12.720 1.00 0.00 C ATOM 788 O ASP A 56 -4.013 22.212 -12.812 1.00 0.00 O ATOM 789 CB ASP A 56 -3.237 18.990 -13.704 1.00 0.00 C ATOM 790 CG ASP A 56 -2.876 19.676 -15.007 1.00 0.00 C ATOM 791 OD1 ASP A 56 -3.091 20.901 -15.112 1.00 0.00 O ATOM 792 OD2 ASP A 56 -2.379 18.986 -15.923 1.00 0.00 O ATOM 0 H ASP A 56 -3.530 18.216 -11.384 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.273 20.449 -12.456 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.526 18.186 -13.511 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.221 18.530 -13.799 1.00 0.00 H new ATOM 797 N LYS A 57 -5.569 20.588 -12.790 1.00 0.00 N ATOM 798 CA LYS A 57 -6.687 21.504 -12.981 1.00 0.00 C ATOM 799 C LYS A 57 -7.768 21.269 -11.932 1.00 0.00 C ATOM 800 O LYS A 57 -8.315 22.215 -11.367 1.00 0.00 O ATOM 801 CB LYS A 57 -7.276 21.337 -14.383 1.00 0.00 C ATOM 802 CG LYS A 57 -6.273 21.578 -15.498 1.00 0.00 C ATOM 803 CD LYS A 57 -6.717 20.930 -16.798 1.00 0.00 C ATOM 804 CE LYS A 57 -6.321 19.463 -16.854 1.00 0.00 C ATOM 805 NZ LYS A 57 -4.933 19.282 -17.362 1.00 0.00 N ATOM 0 H LYS A 57 -5.837 19.606 -12.717 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.313 22.522 -12.870 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.679 20.329 -14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.111 22.028 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.147 22.650 -15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.301 21.181 -15.206 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.799 21.020 -16.900 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.273 21.460 -17.640 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.403 19.026 -15.859 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.016 18.923 -17.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.459 18.533 -16.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.963 19.014 -18.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.406 20.172 -17.257 1.00 0.00 H new ATOM 819 N GLY A 58 -8.071 20.000 -11.675 1.00 0.00 N ATOM 820 CA GLY A 58 -9.086 19.663 -10.693 1.00 0.00 C ATOM 821 C GLY A 58 -10.277 18.958 -11.309 1.00 0.00 C ATOM 822 O GLY A 58 -11.363 18.941 -10.730 1.00 0.00 O ATOM 0 H GLY A 58 -7.632 19.199 -12.129 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.647 19.025 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.423 20.573 -10.197 1.00 0.00 H new ATOM 826 N GLU A 59 -10.075 18.375 -12.487 1.00 0.00 N ATOM 827 CA GLU A 59 -11.143 17.667 -13.182 1.00 0.00 C ATOM 828 C GLU A 59 -10.598 16.449 -13.921 1.00 0.00 C ATOM 829 O GLU A 59 -9.638 16.552 -14.685 1.00 0.00 O ATOM 830 CB GLU A 59 -11.848 18.602 -14.167 1.00 0.00 C ATOM 831 CG GLU A 59 -12.837 19.548 -13.507 1.00 0.00 C ATOM 832 CD GLU A 59 -13.556 20.431 -14.508 1.00 0.00 C ATOM 833 OE1 GLU A 59 -13.013 21.501 -14.852 1.00 0.00 O ATOM 834 OE2 GLU A 59 -14.663 20.053 -14.947 1.00 0.00 O ATOM 0 H GLU A 59 -9.182 18.379 -12.979 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.862 17.326 -12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.098 19.187 -14.699 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.372 18.003 -14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.571 18.968 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.310 20.175 -12.788 1.00 0.00 H new ATOM 841 N SER A 60 -11.216 15.296 -13.687 1.00 0.00 N ATOM 842 CA SER A 60 -10.790 14.057 -14.327 1.00 0.00 C ATOM 843 C SER A 60 -11.153 14.058 -15.809 1.00 0.00 C ATOM 844 O SER A 60 -11.946 14.882 -16.265 1.00 0.00 O ATOM 845 CB SER A 60 -11.433 12.853 -13.634 1.00 0.00 C ATOM 846 OG SER A 60 -12.845 12.892 -13.750 1.00 0.00 O ATOM 0 H SER A 60 -12.013 15.194 -13.059 1.00 0.00 H new ATOM 0 HA SER A 60 -9.706 13.984 -14.236 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.054 11.931 -14.074 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.152 12.842 -12.581 1.00 0.00 H new ATOM 0 HG SER A 60 -13.242 13.034 -12.865 1.00 0.00 H new ATOM 852 N SER A 61 -10.565 13.129 -16.556 1.00 0.00 N ATOM 853 CA SER A 61 -10.822 13.024 -17.988 1.00 0.00 C ATOM 854 C SER A 61 -10.107 11.814 -18.581 1.00 0.00 C ATOM 855 O SER A 61 -9.074 11.377 -18.072 1.00 0.00 O ATOM 856 CB SER A 61 -10.371 14.299 -18.703 1.00 0.00 C ATOM 857 OG SER A 61 -8.972 14.485 -18.579 1.00 0.00 O ATOM 0 H SER A 61 -9.908 12.438 -16.194 1.00 0.00 H new ATOM 0 HA SER A 61 -11.895 12.896 -18.131 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.642 14.244 -19.757 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.894 15.159 -18.284 1.00 0.00 H new ATOM 0 HG SER A 61 -8.708 15.305 -19.046 1.00 0.00 H new ATOM 863 N CYS A 62 -10.664 11.276 -19.661 1.00 0.00 N ATOM 864 CA CYS A 62 -10.081 10.117 -20.325 1.00 0.00 C ATOM 865 C CYS A 62 -8.643 10.399 -20.751 1.00 0.00 C ATOM 866 O CYS A 62 -8.366 11.326 -21.512 1.00 0.00 O ATOM 867 CB CYS A 62 -10.919 9.727 -21.545 1.00 0.00 C ATOM 868 SG CYS A 62 -10.393 8.177 -22.344 1.00 0.00 S ATOM 0 H CYS A 62 -11.519 11.625 -20.095 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.075 9.289 -19.616 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -11.961 9.631 -21.241 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -10.874 10.534 -22.276 1.00 0.00 H new ATOM 0 HG CYS A 62 -11.437 7.539 -22.784 1.00 0.00 H new ATOM 873 N PRO A 63 -7.706 9.581 -20.249 1.00 0.00 N ATOM 874 CA PRO A 63 -6.282 9.722 -20.564 1.00 0.00 C ATOM 875 C PRO A 63 -5.969 9.353 -22.011 1.00 0.00 C ATOM 876 O PRO A 63 -4.808 9.338 -22.421 1.00 0.00 O ATOM 877 CB PRO A 63 -5.607 8.739 -19.604 1.00 0.00 C ATOM 878 CG PRO A 63 -6.654 7.721 -19.307 1.00 0.00 C ATOM 879 CD PRO A 63 -7.965 8.455 -19.336 1.00 0.00 C ATOM 0 HA PRO A 63 -5.940 10.751 -20.452 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.728 8.282 -20.059 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.272 9.239 -18.695 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.639 6.919 -20.045 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.486 7.261 -18.333 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.773 7.820 -19.700 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.254 8.801 -18.343 1.00 0.00 H new ATOM 887 N VAL A 64 -7.011 9.057 -22.780 1.00 0.00 N ATOM 888 CA VAL A 64 -6.847 8.690 -24.181 1.00 0.00 C ATOM 889 C VAL A 64 -7.436 9.754 -25.101 1.00 0.00 C ATOM 890 O VAL A 64 -6.792 10.190 -26.056 1.00 0.00 O ATOM 891 CB VAL A 64 -7.514 7.336 -24.489 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.261 6.931 -25.933 1.00 0.00 C ATOM 893 CG2 VAL A 64 -7.013 6.266 -23.531 1.00 0.00 C ATOM 0 H VAL A 64 -7.978 9.064 -22.456 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.775 8.609 -24.363 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.590 7.441 -24.350 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.740 5.972 -26.131 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.673 7.688 -26.601 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.188 6.843 -26.103 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.494 5.316 -23.763 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.933 6.161 -23.636 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.252 6.554 -22.507 1.00 0.00 H new ATOM 903 N CYS A 65 -8.663 10.169 -24.806 1.00 0.00 N ATOM 904 CA CYS A 65 -9.341 11.183 -25.606 1.00 0.00 C ATOM 905 C CYS A 65 -9.670 12.411 -24.761 1.00 0.00 C ATOM 906 O CYS A 65 -10.025 13.464 -25.291 1.00 0.00 O ATOM 907 CB CYS A 65 -10.622 10.610 -26.214 1.00 0.00 C ATOM 908 SG CYS A 65 -11.850 10.063 -24.985 1.00 0.00 S ATOM 0 H CYS A 65 -9.209 9.819 -24.019 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.670 11.486 -26.410 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.077 11.366 -26.854 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.362 9.766 -26.852 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.270 9.310 -24.098 1.00 0.00 H new ATOM 913 N ARG A 66 -9.550 12.267 -23.446 1.00 0.00 N ATOM 914 CA ARG A 66 -9.836 13.363 -22.528 1.00 0.00 C ATOM 915 C ARG A 66 -11.239 13.915 -22.761 1.00 0.00 C ATOM 916 O ARG A 66 -11.423 15.124 -22.912 1.00 0.00 O ATOM 917 CB ARG A 66 -8.802 14.478 -22.695 1.00 0.00 C ATOM 918 CG ARG A 66 -7.593 14.329 -21.786 1.00 0.00 C ATOM 919 CD ARG A 66 -6.550 13.405 -22.394 1.00 0.00 C ATOM 920 NE ARG A 66 -5.680 14.106 -23.335 1.00 0.00 N ATOM 921 CZ ARG A 66 -4.493 13.650 -23.718 1.00 0.00 C ATOM 922 NH1 ARG A 66 -4.036 12.500 -23.243 1.00 0.00 N ATOM 923 NH2 ARG A 66 -3.760 14.346 -24.579 1.00 0.00 N ATOM 0 H ARG A 66 -9.257 11.402 -22.992 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.782 12.976 -21.510 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.466 14.498 -23.732 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.279 15.437 -22.496 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.151 15.308 -21.603 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.909 13.937 -20.819 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.946 12.967 -21.599 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.049 12.582 -22.906 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.002 14.994 -23.719 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.596 11.963 -22.581 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.124 12.152 -23.539 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.109 15.231 -24.947 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.848 13.995 -24.873 1.00 0.00 H new ATOM 937 N ILE A 67 -12.223 13.023 -22.790 1.00 0.00 N ATOM 938 CA ILE A 67 -13.609 13.422 -23.004 1.00 0.00 C ATOM 939 C ILE A 67 -14.208 14.030 -21.740 1.00 0.00 C ATOM 940 O ILE A 67 -13.636 13.921 -20.656 1.00 0.00 O ATOM 941 CB ILE A 67 -14.476 12.229 -23.447 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.864 12.711 -23.876 1.00 0.00 C ATOM 943 CG2 ILE A 67 -14.587 11.209 -22.324 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.574 11.754 -24.808 1.00 0.00 C ATOM 0 H ILE A 67 -12.087 12.020 -22.668 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.603 14.170 -23.796 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.999 11.749 -24.301 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.478 12.863 -22.988 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.768 13.679 -24.367 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.203 10.372 -22.652 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.593 10.847 -22.062 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -15.045 11.676 -21.452 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -17.551 12.160 -25.071 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.981 11.620 -25.713 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.702 10.791 -24.313 1.00 0.00 H new ATOM 956 N SER A 68 -15.364 14.669 -21.888 1.00 0.00 N ATOM 957 CA SER A 68 -16.040 15.296 -20.759 1.00 0.00 C ATOM 958 C SER A 68 -17.159 14.402 -20.231 1.00 0.00 C ATOM 959 O SER A 68 -18.236 14.322 -20.824 1.00 0.00 O ATOM 960 CB SER A 68 -16.608 16.656 -21.168 1.00 0.00 C ATOM 961 OG SER A 68 -15.613 17.663 -21.110 1.00 0.00 O ATOM 0 H SER A 68 -15.852 14.766 -22.779 1.00 0.00 H new ATOM 0 HA SER A 68 -15.308 15.441 -19.964 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.011 16.596 -22.179 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.436 16.920 -20.510 1.00 0.00 H new ATOM 0 HG SER A 68 -16.001 18.522 -21.378 1.00 0.00 H new ATOM 967 N TYR A 69 -16.897 13.734 -19.114 1.00 0.00 N ATOM 968 CA TYR A 69 -17.880 12.844 -18.507 1.00 0.00 C ATOM 969 C TYR A 69 -17.636 12.704 -17.008 1.00 0.00 C ATOM 970 O TYR A 69 -16.509 12.853 -16.536 1.00 0.00 O ATOM 971 CB TYR A 69 -17.832 11.468 -19.173 1.00 0.00 C ATOM 972 CG TYR A 69 -16.528 10.735 -18.957 1.00 0.00 C ATOM 973 CD1 TYR A 69 -15.328 11.258 -19.424 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.495 9.519 -18.284 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.134 10.591 -19.229 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.305 8.846 -18.083 1.00 0.00 C ATOM 977 CZ TYR A 69 -14.128 9.386 -18.558 1.00 0.00 C ATOM 978 OH TYR A 69 -12.940 8.719 -18.360 1.00 0.00 O ATOM 0 H TYR A 69 -16.012 13.792 -18.610 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.868 13.279 -18.657 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.650 10.859 -18.788 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.000 11.586 -20.244 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.329 12.202 -19.948 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.415 9.093 -17.912 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.211 11.011 -19.600 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.297 7.903 -17.557 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.064 8.026 -17.678 1.00 0.00 H new ATOM 988 N GLN A 70 -18.701 12.417 -16.266 1.00 0.00 N ATOM 989 CA GLN A 70 -18.603 12.258 -14.820 1.00 0.00 C ATOM 990 C GLN A 70 -18.358 10.799 -14.449 1.00 0.00 C ATOM 991 O GLN A 70 -19.028 9.888 -14.936 1.00 0.00 O ATOM 992 CB GLN A 70 -19.878 12.762 -14.143 1.00 0.00 C ATOM 993 CG GLN A 70 -19.704 13.062 -12.663 1.00 0.00 C ATOM 994 CD GLN A 70 -19.010 14.387 -12.414 1.00 0.00 C ATOM 995 OE1 GLN A 70 -18.351 14.932 -13.300 1.00 0.00 O ATOM 996 NE2 GLN A 70 -19.156 14.914 -11.204 1.00 0.00 N ATOM 0 H GLN A 70 -19.641 12.290 -16.642 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.757 12.850 -14.471 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.216 13.665 -14.651 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.663 12.015 -14.264 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.681 13.072 -12.181 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.128 12.261 -12.199 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.711 14.428 -10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.713 15.805 -10.979 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.376 10.569 -13.565 1.00 0.00 N ATOM 1006 CA PRO A 71 -17.020 9.222 -13.109 1.00 0.00 C ATOM 1007 C PRO A 71 -18.096 8.609 -12.220 1.00 0.00 C ATOM 1008 O PRO A 71 -18.100 7.402 -11.978 1.00 0.00 O ATOM 1009 CB PRO A 71 -15.732 9.446 -12.313 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.809 10.862 -11.858 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.536 11.607 -12.943 1.00 0.00 C ATOM 0 HA PRO A 71 -16.908 8.526 -13.940 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.665 8.762 -11.467 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.850 9.276 -12.931 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.340 10.939 -10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.813 11.276 -11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.137 12.421 -12.538 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.844 12.048 -13.661 1.00 0.00 H new ATOM 1019 N GLU A 72 -19.007 9.447 -11.736 1.00 0.00 N ATOM 1020 CA GLU A 72 -20.088 8.985 -10.873 1.00 0.00 C ATOM 1021 C GLU A 72 -21.130 8.209 -11.674 1.00 0.00 C ATOM 1022 O GLU A 72 -21.760 7.285 -11.161 1.00 0.00 O ATOM 1023 CB GLU A 72 -20.750 10.171 -10.169 1.00 0.00 C ATOM 1024 CG GLU A 72 -21.578 9.775 -8.958 1.00 0.00 C ATOM 1025 CD GLU A 72 -22.973 9.313 -9.330 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -23.709 10.100 -9.963 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -23.330 8.167 -8.989 1.00 0.00 O ATOM 0 H GLU A 72 -19.018 10.449 -11.927 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.661 8.319 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.978 10.874 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -21.389 10.694 -10.880 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.067 8.977 -8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.650 10.624 -8.278 1.00 0.00 H new ATOM 1034 N ASN A 73 -21.305 8.592 -12.934 1.00 0.00 N ATOM 1035 CA ASN A 73 -22.270 7.934 -13.806 1.00 0.00 C ATOM 1036 C ASN A 73 -21.591 6.874 -14.668 1.00 0.00 C ATOM 1037 O ASN A 73 -21.761 6.848 -15.887 1.00 0.00 O ATOM 1038 CB ASN A 73 -22.968 8.962 -14.699 1.00 0.00 C ATOM 1039 CG ASN A 73 -24.047 9.731 -13.961 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -24.695 9.201 -13.059 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -24.245 10.987 -14.343 1.00 0.00 N ATOM 0 H ASN A 73 -20.791 9.355 -13.374 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.014 7.444 -13.177 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.229 9.662 -15.089 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.410 8.454 -15.556 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.958 11.553 -13.884 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.684 11.386 -15.096 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.821 6.002 -14.026 1.00 0.00 N ATOM 1049 CA ILE A 74 -20.117 4.939 -14.733 1.00 0.00 C ATOM 1050 C ILE A 74 -20.098 3.653 -13.914 1.00 0.00 C ATOM 1051 O ILE A 74 -19.999 3.688 -12.687 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.669 5.346 -15.064 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.655 6.632 -15.893 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.960 4.223 -15.807 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.262 7.133 -16.206 1.00 0.00 C ATOM 0 H ILE A 74 -20.669 6.011 -13.017 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.658 4.766 -15.663 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.137 5.531 -14.131 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -19.189 6.458 -16.827 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.199 7.408 -15.355 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.938 4.526 -16.034 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.944 3.328 -15.185 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.490 4.010 -16.735 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.328 8.047 -16.796 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.732 7.339 -15.276 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.721 6.374 -16.772 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.191 2.519 -14.601 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.183 1.221 -13.937 1.00 0.00 C ATOM 1069 C ARG A 75 -19.796 0.113 -14.913 1.00 0.00 C ATOM 1070 O ARG A 75 -20.011 0.214 -16.121 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.557 0.925 -13.332 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.684 0.929 -14.352 1.00 0.00 C ATOM 1073 CD ARG A 75 -23.287 2.316 -14.510 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.140 2.411 -15.692 1.00 0.00 N ATOM 1075 CZ ARG A 75 -24.806 3.509 -16.032 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -24.717 4.600 -15.284 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -25.561 3.517 -17.123 1.00 0.00 N ATOM 0 H ARG A 75 -20.273 2.473 -15.617 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.441 1.254 -13.139 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.527 -0.047 -12.840 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.773 1.665 -12.562 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.307 0.583 -15.314 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -23.459 0.227 -14.043 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.870 2.561 -13.622 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -22.487 3.053 -14.580 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.229 1.589 -16.289 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -24.136 4.597 -14.445 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -25.229 5.442 -15.547 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.630 2.680 -17.701 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.072 4.360 -17.383 1.00 0.00 H new