USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 656 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 87 THR OG1 : rot 157:sc= 1.37 USER MOD Set 1.2: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 85 THR OG1 : rot 97:sc= 0.398 USER MOD Set 2.2: A 106 SER OG : rot -86:sc= 0.159 USER MOD Set 3.1: A 40 THR OG1 : rot 173:sc= -1.3! USER MOD Set 3.2: A 44 CYS SG : rot 180:sc= 0.284 USER MOD Set 4.1: A 19 GLN : amide:sc= 0.234 K(o=0.46,f=-0.29) USER MOD Set 4.2: A 38 THR OG1 : rot 150:sc= 0.231 USER MOD Single : A 21 SER OG : rot 74:sc= 1.13 USER MOD Single : A 26 THR OG1 : rot 124:sc= 0.992 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00257 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.0487 (180deg=-0.475) USER MOD Single : A 46 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.047) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 48 MET CE :methyl -155:sc= 0 (180deg=-0.00945) USER MOD Single : A 49 LYS NZ :NH3+ -119:sc= 0.00884 (180deg=-0.0633) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.175 K(o=0.18,f=-0.41) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -132:sc= 1.26 USER MOD Single : A 70 GLN : amide:sc= -0.337 K(o=-0.34,f=-0.94) USER MOD Single : A 72 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.6!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 96 ASN : amide:sc= 1.08 K(o=1.1,f=-5.8!) USER MOD Single : A 100 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.75) USER MOD Single : A 101 LYS NZ :NH3+ 155:sc= -0.0736 (180deg=-0.768) USER MOD Single : A 102 THR OG1 : rot 34:sc= 0.13 USER MOD Single : A 107 LYS NZ :NH3+ 170:sc=-0.000607 (180deg=-0.0989) USER MOD ----------------------------------------------------------------- ATOM 257 N GLY A 16 -36.602 12.394 11.334 1.00 0.00 N ATOM 258 CA GLY A 16 -36.052 13.728 11.405 1.00 0.00 C ATOM 259 C GLY A 16 -35.735 14.306 10.045 1.00 0.00 C ATOM 260 O GLY A 16 -35.931 13.647 9.012 1.00 0.00 O ATOM 0 HA2 GLY A 16 -36.760 14.381 11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -35.144 13.710 12.007 1.00 0.00 H new ATOM 264 N GLU A 17 -35.247 15.534 10.044 1.00 0.00 N ATOM 265 CA GLU A 17 -34.882 16.230 8.838 1.00 0.00 C ATOM 266 C GLU A 17 -33.572 15.726 8.292 1.00 0.00 C ATOM 267 O GLU A 17 -32.873 14.952 8.947 1.00 0.00 O ATOM 268 CB GLU A 17 -34.781 17.723 9.067 1.00 0.00 C ATOM 269 CG GLU A 17 -33.901 18.125 10.240 1.00 0.00 C ATOM 270 CD GLU A 17 -33.677 19.620 10.300 1.00 0.00 C ATOM 271 OE1 GLU A 17 -33.010 20.159 9.384 1.00 0.00 O ATOM 272 OE2 GLU A 17 -34.160 20.265 11.259 1.00 0.00 O ATOM 0 H GLU A 17 -35.094 16.076 10.894 1.00 0.00 H new ATOM 0 HA GLU A 17 -35.672 16.036 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -34.394 18.191 8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -35.783 18.121 9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -34.362 17.791 11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -32.939 17.618 10.161 1.00 0.00 H new ATOM 279 N TRP A 18 -33.258 16.153 7.074 1.00 0.00 N ATOM 280 CA TRP A 18 -32.044 15.777 6.413 1.00 0.00 C ATOM 281 C TRP A 18 -30.825 15.949 7.300 1.00 0.00 C ATOM 282 O TRP A 18 -30.502 17.059 7.740 1.00 0.00 O ATOM 283 CB TRP A 18 -31.867 16.647 5.188 1.00 0.00 C ATOM 284 CG TRP A 18 -32.752 16.277 4.069 1.00 0.00 C ATOM 285 CD1 TRP A 18 -33.792 16.996 3.584 1.00 0.00 C ATOM 286 CD2 TRP A 18 -32.683 15.085 3.299 1.00 0.00 C ATOM 287 NE1 TRP A 18 -34.385 16.323 2.558 1.00 0.00 N ATOM 288 CE2 TRP A 18 -33.714 15.140 2.353 1.00 0.00 C ATOM 289 CE3 TRP A 18 -31.842 13.978 3.322 1.00 0.00 C ATOM 290 CZ2 TRP A 18 -33.930 14.117 1.426 1.00 0.00 C ATOM 291 CZ3 TRP A 18 -32.049 12.963 2.413 1.00 0.00 C ATOM 292 CH2 TRP A 18 -33.084 13.034 1.474 1.00 0.00 C ATOM 0 H TRP A 18 -33.853 16.774 6.525 1.00 0.00 H new ATOM 0 HA TRP A 18 -32.125 14.722 6.151 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -32.054 17.686 5.460 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -30.831 16.586 4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -34.105 17.960 3.955 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -35.195 16.644 2.028 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -31.039 13.915 4.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -34.729 14.175 0.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -31.402 12.099 2.426 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -33.221 12.223 0.774 1.00 0.00 H new ATOM 303 N GLN A 19 -30.155 14.847 7.545 1.00 0.00 N ATOM 304 CA GLN A 19 -28.916 14.848 8.270 1.00 0.00 C ATOM 305 C GLN A 19 -27.841 14.274 7.374 1.00 0.00 C ATOM 306 O GLN A 19 -27.896 13.111 6.978 1.00 0.00 O ATOM 307 CB GLN A 19 -29.027 14.055 9.582 1.00 0.00 C ATOM 308 CG GLN A 19 -29.685 12.693 9.439 1.00 0.00 C ATOM 309 CD GLN A 19 -29.545 11.843 10.686 1.00 0.00 C ATOM 310 OE1 GLN A 19 -29.444 12.357 11.803 1.00 0.00 O ATOM 311 NE2 GLN A 19 -29.548 10.537 10.506 1.00 0.00 N ATOM 0 H GLN A 19 -30.460 13.922 7.243 1.00 0.00 H new ATOM 0 HA GLN A 19 -28.660 15.870 8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -28.028 13.920 9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -29.594 14.645 10.302 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -30.743 12.827 9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -29.242 12.167 8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -29.634 10.152 9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -29.465 9.912 11.307 1.00 0.00 H new ATOM 320 N TRP A 20 -26.887 15.096 7.041 1.00 0.00 N ATOM 321 CA TRP A 20 -25.844 14.714 6.119 1.00 0.00 C ATOM 322 C TRP A 20 -24.562 14.342 6.811 1.00 0.00 C ATOM 323 O TRP A 20 -24.222 14.880 7.868 1.00 0.00 O ATOM 324 CB TRP A 20 -25.611 15.805 5.080 1.00 0.00 C ATOM 325 CG TRP A 20 -26.694 15.865 4.067 1.00 0.00 C ATOM 326 CD1 TRP A 20 -27.780 16.663 4.097 1.00 0.00 C ATOM 327 CD2 TRP A 20 -26.798 15.079 2.873 1.00 0.00 C ATOM 328 NE1 TRP A 20 -28.568 16.434 2.998 1.00 0.00 N ATOM 329 CE2 TRP A 20 -27.985 15.463 2.228 1.00 0.00 C ATOM 330 CE3 TRP A 20 -26.002 14.090 2.288 1.00 0.00 C ATOM 331 CZ2 TRP A 20 -28.400 14.895 1.028 1.00 0.00 C ATOM 332 CZ3 TRP A 20 -26.413 13.525 1.095 1.00 0.00 C ATOM 333 CH2 TRP A 20 -27.603 13.929 0.476 1.00 0.00 C ATOM 0 H TRP A 20 -26.806 16.048 7.397 1.00 0.00 H new ATOM 0 HA TRP A 20 -26.191 13.816 5.608 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -25.533 16.770 5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -24.659 15.628 4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -27.998 17.380 4.875 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -29.446 16.910 2.788 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -25.083 13.773 2.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -29.317 15.205 0.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -25.807 12.760 0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -27.897 13.469 -0.456 1.00 0.00 H new ATOM 344 N SER A 21 -23.873 13.400 6.220 1.00 0.00 N ATOM 345 CA SER A 21 -22.611 12.927 6.714 1.00 0.00 C ATOM 346 C SER A 21 -21.486 13.683 6.009 1.00 0.00 C ATOM 347 O SER A 21 -21.732 14.420 5.043 1.00 0.00 O ATOM 348 CB SER A 21 -22.484 11.424 6.461 1.00 0.00 C ATOM 349 OG SER A 21 -23.640 10.732 6.920 1.00 0.00 O ATOM 0 H SER A 21 -24.181 12.934 5.367 1.00 0.00 H new ATOM 0 HA SER A 21 -22.545 13.102 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 21 -22.345 11.241 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 21 -21.599 11.039 6.969 1.00 0.00 H new ATOM 0 HG SER A 21 -24.387 10.901 6.308 1.00 0.00 H new ATOM 355 N VAL A 22 -20.273 13.491 6.461 1.00 0.00 N ATOM 356 CA VAL A 22 -19.142 14.199 5.897 1.00 0.00 C ATOM 357 C VAL A 22 -18.518 13.384 4.780 1.00 0.00 C ATOM 358 O VAL A 22 -18.672 12.162 4.732 1.00 0.00 O ATOM 359 CB VAL A 22 -18.065 14.512 6.969 1.00 0.00 C ATOM 360 CG1 VAL A 22 -18.626 15.437 8.036 1.00 0.00 C ATOM 361 CG2 VAL A 22 -17.534 13.227 7.599 1.00 0.00 C ATOM 0 H VAL A 22 -20.038 12.850 7.219 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.515 15.144 5.502 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.234 15.017 6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.856 15.645 8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.947 16.371 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -19.478 14.959 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.780 13.473 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.354 12.689 8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.088 12.601 6.827 1.00 0.00 H new ATOM 371 N CYS A 23 -17.856 14.064 3.865 1.00 0.00 N ATOM 372 CA CYS A 23 -17.253 13.414 2.723 1.00 0.00 C ATOM 373 C CYS A 23 -16.009 12.675 3.153 1.00 0.00 C ATOM 374 O CYS A 23 -15.039 13.283 3.622 1.00 0.00 O ATOM 375 CB CYS A 23 -16.914 14.445 1.629 1.00 0.00 C ATOM 376 SG CYS A 23 -15.978 13.771 0.206 1.00 0.00 S ATOM 0 H CYS A 23 -17.723 15.075 3.893 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.965 12.700 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -17.842 14.883 1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -16.336 15.253 2.077 1.00 0.00 H new ATOM 381 N VAL A 24 -16.036 11.370 3.008 1.00 0.00 N ATOM 382 CA VAL A 24 -14.916 10.549 3.366 1.00 0.00 C ATOM 383 C VAL A 24 -14.322 9.977 2.098 1.00 0.00 C ATOM 384 O VAL A 24 -15.008 9.267 1.356 1.00 0.00 O ATOM 385 CB VAL A 24 -15.328 9.392 4.310 1.00 0.00 C ATOM 386 CG1 VAL A 24 -14.110 8.580 4.730 1.00 0.00 C ATOM 387 CG2 VAL A 24 -16.063 9.927 5.531 1.00 0.00 C ATOM 0 H VAL A 24 -16.835 10.855 2.639 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.189 11.163 3.898 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.006 8.735 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -14.422 7.773 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.631 8.159 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.404 9.226 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -16.343 9.097 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.413 10.611 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -16.961 10.457 5.212 1.00 0.00 H new ATOM 397 N PRO A 25 -13.060 10.311 1.803 1.00 0.00 N ATOM 398 CA PRO A 25 -12.382 9.833 0.603 1.00 0.00 C ATOM 399 C PRO A 25 -12.390 8.314 0.499 1.00 0.00 C ATOM 400 O PRO A 25 -12.269 7.603 1.500 1.00 0.00 O ATOM 401 CB PRO A 25 -10.948 10.348 0.762 1.00 0.00 C ATOM 402 CG PRO A 25 -11.064 11.512 1.681 1.00 0.00 C ATOM 403 CD PRO A 25 -12.199 11.194 2.611 1.00 0.00 C ATOM 0 HA PRO A 25 -12.874 10.186 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.295 9.580 1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.524 10.642 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.138 11.666 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.260 12.429 1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.850 10.698 3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.727 12.095 2.924 1.00 0.00 H new ATOM 411 N THR A 26 -12.517 7.829 -0.713 1.00 0.00 N ATOM 412 CA THR A 26 -12.545 6.409 -0.972 1.00 0.00 C ATOM 413 C THR A 26 -11.124 5.884 -1.225 1.00 0.00 C ATOM 414 O THR A 26 -10.829 4.703 -1.015 1.00 0.00 O ATOM 415 CB THR A 26 -13.464 6.111 -2.176 1.00 0.00 C ATOM 416 OG1 THR A 26 -14.825 6.375 -1.810 1.00 0.00 O ATOM 417 CG2 THR A 26 -13.341 4.678 -2.656 1.00 0.00 C ATOM 0 H THR A 26 -12.604 8.408 -1.548 1.00 0.00 H new ATOM 0 HA THR A 26 -12.944 5.896 -0.097 1.00 0.00 H new ATOM 0 HB THR A 26 -13.153 6.759 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.214 7.018 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 26 -14.007 4.520 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.313 4.484 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.614 3.999 -1.848 1.00 0.00 H new ATOM 425 N SER A 27 -10.247 6.776 -1.647 1.00 0.00 N ATOM 426 CA SER A 27 -8.867 6.416 -1.908 1.00 0.00 C ATOM 427 C SER A 27 -7.938 7.449 -1.307 1.00 0.00 C ATOM 428 O SER A 27 -8.399 8.482 -0.809 1.00 0.00 O ATOM 429 CB SER A 27 -8.623 6.260 -3.413 1.00 0.00 C ATOM 430 OG SER A 27 -7.371 5.648 -3.681 1.00 0.00 O ATOM 0 H SER A 27 -10.467 7.757 -1.816 1.00 0.00 H new ATOM 0 HA SER A 27 -8.660 5.455 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.422 5.662 -3.851 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.659 7.239 -3.891 1.00 0.00 H new ATOM 0 HG SER A 27 -7.249 5.563 -4.650 1.00 0.00 H new ATOM 436 N GLY A 28 -6.638 7.172 -1.360 1.00 0.00 N ATOM 437 CA GLY A 28 -5.644 8.044 -0.771 1.00 0.00 C ATOM 438 C GLY A 28 -5.513 9.371 -1.473 1.00 0.00 C ATOM 439 O GLY A 28 -4.568 9.588 -2.233 1.00 0.00 O ATOM 0 H GLY A 28 -6.253 6.342 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.900 8.219 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.678 7.540 -0.782 1.00 0.00 H new ATOM 443 N ASP A 29 -6.494 10.234 -1.250 1.00 0.00 N ATOM 444 CA ASP A 29 -6.477 11.619 -1.764 1.00 0.00 C ATOM 445 C ASP A 29 -6.625 11.636 -3.293 1.00 0.00 C ATOM 446 O ASP A 29 -6.254 12.585 -3.967 1.00 0.00 O ATOM 447 CB ASP A 29 -5.172 12.330 -1.296 1.00 0.00 C ATOM 448 CG ASP A 29 -5.128 13.825 -1.584 1.00 0.00 C ATOM 449 OD1 ASP A 29 -4.617 14.223 -2.646 1.00 0.00 O ATOM 450 OD2 ASP A 29 -5.602 14.609 -0.739 1.00 0.00 O ATOM 0 H ASP A 29 -7.328 10.006 -0.710 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.328 12.167 -1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.054 12.176 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.320 11.854 -1.782 1.00 0.00 H new ATOM 455 N CYS A 30 -7.210 10.585 -3.834 1.00 0.00 N ATOM 456 CA CYS A 30 -7.377 10.504 -5.275 1.00 0.00 C ATOM 457 C CYS A 30 -8.606 9.684 -5.653 1.00 0.00 C ATOM 458 O CYS A 30 -8.822 9.368 -6.821 1.00 0.00 O ATOM 459 CB CYS A 30 -6.118 9.919 -5.923 1.00 0.00 C ATOM 460 SG CYS A 30 -6.003 10.208 -7.719 1.00 0.00 S ATOM 0 H CYS A 30 -7.572 9.788 -3.311 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.530 11.516 -5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.240 10.349 -5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.091 8.845 -5.736 1.00 0.00 H new ATOM 465 N GLY A 31 -9.421 9.369 -4.669 1.00 0.00 N ATOM 466 CA GLY A 31 -10.604 8.589 -4.929 1.00 0.00 C ATOM 467 C GLY A 31 -11.831 9.262 -4.405 1.00 0.00 C ATOM 468 O GLY A 31 -11.882 9.614 -3.219 1.00 0.00 O ATOM 0 H GLY A 31 -9.286 9.639 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.706 8.428 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.502 7.607 -4.468 1.00 0.00 H new ATOM 472 N LEU A 32 -12.816 9.442 -5.281 1.00 0.00 N ATOM 473 CA LEU A 32 -14.074 10.102 -4.936 1.00 0.00 C ATOM 474 C LEU A 32 -14.695 9.496 -3.709 1.00 0.00 C ATOM 475 O LEU A 32 -14.519 8.331 -3.447 1.00 0.00 O ATOM 476 CB LEU A 32 -15.051 10.072 -6.112 1.00 0.00 C ATOM 477 CG LEU A 32 -15.405 11.432 -6.716 1.00 0.00 C ATOM 478 CD1 LEU A 32 -14.153 12.169 -7.159 1.00 0.00 C ATOM 479 CD2 LEU A 32 -16.363 11.262 -7.883 1.00 0.00 C ATOM 0 H LEU A 32 -12.765 9.134 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.846 11.144 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.627 9.446 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.972 9.590 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.897 12.028 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.430 13.133 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.500 12.326 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.629 11.578 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.604 12.239 -8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.896 10.645 -8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.277 10.780 -7.536 1.00 0.00 H new ATOM 491 N GLY A 33 -15.460 10.278 -2.985 1.00 0.00 N ATOM 492 CA GLY A 33 -15.985 9.817 -1.727 1.00 0.00 C ATOM 493 C GLY A 33 -17.479 9.883 -1.743 1.00 0.00 C ATOM 494 O GLY A 33 -18.067 10.223 -2.776 1.00 0.00 O ATOM 0 H GLY A 33 -15.729 11.227 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.660 8.794 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.594 10.429 -0.914 1.00 0.00 H new ATOM 498 N THR A 34 -18.115 9.589 -0.638 1.00 0.00 N ATOM 499 CA THR A 34 -19.572 9.623 -0.596 1.00 0.00 C ATOM 500 C THR A 34 -20.097 10.284 0.675 1.00 0.00 C ATOM 501 O THR A 34 -19.423 10.304 1.705 1.00 0.00 O ATOM 502 CB THR A 34 -20.164 8.201 -0.697 1.00 0.00 C ATOM 503 OG1 THR A 34 -19.420 7.304 0.146 1.00 0.00 O ATOM 504 CG2 THR A 34 -20.143 7.695 -2.134 1.00 0.00 C ATOM 0 H THR A 34 -17.664 9.326 0.238 1.00 0.00 H new ATOM 0 HA THR A 34 -19.888 10.217 -1.454 1.00 0.00 H new ATOM 0 HB THR A 34 -21.202 8.240 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.800 6.403 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.566 6.691 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.733 8.362 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.115 7.669 -2.496 1.00 0.00 H new ATOM 512 N ARG A 35 -21.302 10.832 0.577 1.00 0.00 N ATOM 513 CA ARG A 35 -21.990 11.424 1.703 1.00 0.00 C ATOM 514 C ARG A 35 -23.363 10.791 1.820 1.00 0.00 C ATOM 515 O ARG A 35 -24.044 10.583 0.814 1.00 0.00 O ATOM 516 CB ARG A 35 -22.126 12.943 1.530 1.00 0.00 C ATOM 517 CG ARG A 35 -20.803 13.667 1.332 1.00 0.00 C ATOM 518 CD ARG A 35 -20.998 15.172 1.238 1.00 0.00 C ATOM 519 NE ARG A 35 -21.397 15.763 2.520 1.00 0.00 N ATOM 520 CZ ARG A 35 -21.821 17.022 2.667 1.00 0.00 C ATOM 521 NH1 ARG A 35 -21.984 17.804 1.599 1.00 0.00 N ATOM 522 NH2 ARG A 35 -22.099 17.489 3.880 1.00 0.00 N ATOM 0 H ARG A 35 -21.828 10.875 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.413 11.243 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.769 13.144 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.625 13.354 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -20.134 13.437 2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -20.321 13.304 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -20.071 15.636 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.757 15.392 0.487 1.00 0.00 H new ATOM 0 HE ARG A 35 -21.348 15.176 3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.785 17.442 0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -22.308 18.764 1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -21.989 16.887 4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -22.423 18.449 3.995 1.00 0.00 H new ATOM 536 N GLU A 36 -23.759 10.489 3.027 1.00 0.00 N ATOM 537 CA GLU A 36 -25.025 9.830 3.275 1.00 0.00 C ATOM 538 C GLU A 36 -25.970 10.754 4.033 1.00 0.00 C ATOM 539 O GLU A 36 -25.571 11.374 5.027 1.00 0.00 O ATOM 540 CB GLU A 36 -24.788 8.550 4.073 1.00 0.00 C ATOM 541 CG GLU A 36 -26.045 7.752 4.372 1.00 0.00 C ATOM 542 CD GLU A 36 -25.777 6.610 5.321 1.00 0.00 C ATOM 543 OE1 GLU A 36 -25.368 5.525 4.859 1.00 0.00 O ATOM 544 OE2 GLU A 36 -25.950 6.794 6.540 1.00 0.00 O ATOM 0 H GLU A 36 -23.219 10.690 3.869 1.00 0.00 H new ATOM 0 HA GLU A 36 -25.485 9.579 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -24.093 7.916 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -24.304 8.809 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -26.799 8.411 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -26.456 7.361 3.441 1.00 0.00 H new ATOM 551 N GLY A 37 -27.203 10.871 3.559 1.00 0.00 N ATOM 552 CA GLY A 37 -28.176 11.706 4.220 1.00 0.00 C ATOM 553 C GLY A 37 -29.530 11.026 4.278 1.00 0.00 C ATOM 554 O GLY A 37 -29.928 10.343 3.325 1.00 0.00 O ATOM 0 H GLY A 37 -27.545 10.398 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.837 11.935 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.265 12.655 3.691 1.00 0.00 H new ATOM 558 N THR A 38 -30.236 11.191 5.382 1.00 0.00 N ATOM 559 CA THR A 38 -31.542 10.578 5.551 1.00 0.00 C ATOM 560 C THR A 38 -32.595 11.634 5.865 1.00 0.00 C ATOM 561 O THR A 38 -32.271 12.704 6.386 1.00 0.00 O ATOM 562 CB THR A 38 -31.519 9.522 6.679 1.00 0.00 C ATOM 563 OG1 THR A 38 -30.911 10.076 7.859 1.00 0.00 O ATOM 564 CG2 THR A 38 -30.752 8.282 6.245 1.00 0.00 C ATOM 0 H THR A 38 -29.925 11.747 6.179 1.00 0.00 H new ATOM 0 HA THR A 38 -31.797 10.084 4.613 1.00 0.00 H new ATOM 0 HB THR A 38 -32.548 9.236 6.899 1.00 0.00 H new ATOM 0 HG1 THR A 38 -31.298 9.655 8.655 1.00 0.00 H new ATOM 0 HG21 THR A 38 -30.750 7.553 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 38 -31.230 7.847 5.367 1.00 0.00 H new ATOM 0 HG23 THR A 38 -29.726 8.556 6.001 1.00 0.00 H new ATOM 572 N ARG A 39 -33.848 11.337 5.543 1.00 0.00 N ATOM 573 CA ARG A 39 -34.955 12.247 5.785 1.00 0.00 C ATOM 574 C ARG A 39 -36.191 11.432 6.144 1.00 0.00 C ATOM 575 O ARG A 39 -36.253 10.236 5.853 1.00 0.00 O ATOM 576 CB ARG A 39 -35.232 13.084 4.527 1.00 0.00 C ATOM 577 CG ARG A 39 -36.408 14.055 4.642 1.00 0.00 C ATOM 578 CD ARG A 39 -36.106 15.189 5.603 1.00 0.00 C ATOM 579 NE ARG A 39 -37.295 15.987 5.907 1.00 0.00 N ATOM 580 CZ ARG A 39 -37.306 17.318 6.061 1.00 0.00 C ATOM 581 NH1 ARG A 39 -36.207 18.033 5.828 1.00 0.00 N ATOM 582 NH2 ARG A 39 -38.423 17.929 6.419 1.00 0.00 N ATOM 0 H ARG A 39 -34.123 10.457 5.106 1.00 0.00 H new ATOM 0 HA ARG A 39 -34.704 12.920 6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -34.334 13.652 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -35.419 12.408 3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -36.640 14.463 3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -37.293 13.516 4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -35.698 14.781 6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -35.339 15.833 5.173 1.00 0.00 H new ATOM 0 HE ARG A 39 -38.181 15.493 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -35.350 17.568 5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -36.223 19.046 5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -39.273 17.387 6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -38.435 18.942 6.537 1.00 0.00 H new ATOM 596 N THR A 40 -37.156 12.052 6.776 1.00 0.00 N ATOM 597 CA THR A 40 -38.360 11.356 7.115 1.00 0.00 C ATOM 598 C THR A 40 -39.564 11.921 6.406 1.00 0.00 C ATOM 599 O THR A 40 -39.555 13.041 5.885 1.00 0.00 O ATOM 600 CB THR A 40 -38.631 11.352 8.629 1.00 0.00 C ATOM 601 OG1 THR A 40 -39.675 10.419 8.939 1.00 0.00 O ATOM 602 CG2 THR A 40 -39.027 12.740 9.125 1.00 0.00 C ATOM 0 H THR A 40 -37.127 13.031 7.062 1.00 0.00 H new ATOM 0 HA THR A 40 -38.200 10.330 6.784 1.00 0.00 H new ATOM 0 HB THR A 40 -37.711 11.055 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 40 -39.760 10.335 9.912 1.00 0.00 H new ATOM 0 HG21 THR A 40 -39.212 12.704 10.199 1.00 0.00 H new ATOM 0 HG22 THR A 40 -38.220 13.444 8.919 1.00 0.00 H new ATOM 0 HG23 THR A 40 -39.932 13.065 8.612 1.00 0.00 H new ATOM 610 N GLY A 41 -40.572 11.123 6.395 1.00 0.00 N ATOM 611 CA GLY A 41 -41.852 11.489 5.854 1.00 0.00 C ATOM 612 C GLY A 41 -42.911 11.152 6.851 1.00 0.00 C ATOM 613 O GLY A 41 -42.584 10.905 8.018 1.00 0.00 O ATOM 0 H GLY A 41 -40.539 10.174 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -41.874 12.555 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -42.032 10.959 4.919 1.00 0.00 H new ATOM 617 N ALA A 42 -44.163 11.109 6.441 1.00 0.00 N ATOM 618 CA ALA A 42 -45.233 10.784 7.361 1.00 0.00 C ATOM 619 C ALA A 42 -45.150 9.340 7.841 1.00 0.00 C ATOM 620 O ALA A 42 -45.615 9.019 8.935 1.00 0.00 O ATOM 621 CB ALA A 42 -46.584 11.053 6.715 1.00 0.00 C ATOM 0 H ALA A 42 -44.463 11.294 5.484 1.00 0.00 H new ATOM 0 HA ALA A 42 -45.122 11.425 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -47.379 10.804 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -46.655 12.107 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -46.687 10.441 5.819 1.00 0.00 H new ATOM 627 N GLU A 43 -44.544 8.468 7.042 1.00 0.00 N ATOM 628 CA GLU A 43 -44.450 7.068 7.425 1.00 0.00 C ATOM 629 C GLU A 43 -43.093 6.746 8.004 1.00 0.00 C ATOM 630 O GLU A 43 -42.899 5.676 8.586 1.00 0.00 O ATOM 631 CB GLU A 43 -44.737 6.141 6.241 1.00 0.00 C ATOM 632 CG GLU A 43 -46.052 6.417 5.540 1.00 0.00 C ATOM 633 CD GLU A 43 -47.204 6.566 6.502 1.00 0.00 C ATOM 634 OE1 GLU A 43 -47.488 5.617 7.262 1.00 0.00 O ATOM 635 OE2 GLU A 43 -47.838 7.635 6.506 1.00 0.00 O ATOM 0 H GLU A 43 -44.119 8.701 6.144 1.00 0.00 H new ATOM 0 HA GLU A 43 -45.207 6.900 8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -43.927 6.232 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -44.735 5.109 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -45.959 7.327 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -46.266 5.605 4.846 1.00 0.00 H new ATOM 642 N CYS A 44 -42.156 7.678 7.860 1.00 0.00 N ATOM 643 CA CYS A 44 -40.795 7.530 8.396 1.00 0.00 C ATOM 644 C CYS A 44 -39.981 6.439 7.679 1.00 0.00 C ATOM 645 O CYS A 44 -40.535 5.491 7.111 1.00 0.00 O ATOM 646 CB CYS A 44 -40.817 7.276 9.911 1.00 0.00 C ATOM 647 SG CYS A 44 -41.366 8.701 10.909 1.00 0.00 S ATOM 0 H CYS A 44 -42.312 8.559 7.370 1.00 0.00 H new ATOM 0 HA CYS A 44 -40.292 8.478 8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -41.474 6.431 10.115 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -39.816 6.987 10.233 1.00 0.00 H new ATOM 0 HG CYS A 44 -41.350 8.380 12.169 1.00 0.00 H new ATOM 652 N LYS A 45 -38.653 6.624 7.679 1.00 0.00 N ATOM 653 CA LYS A 45 -37.689 5.652 7.125 1.00 0.00 C ATOM 654 C LYS A 45 -37.861 5.437 5.602 1.00 0.00 C ATOM 655 O LYS A 45 -37.250 4.542 5.019 1.00 0.00 O ATOM 656 CB LYS A 45 -37.801 4.309 7.876 1.00 0.00 C ATOM 657 CG LYS A 45 -36.632 3.361 7.642 1.00 0.00 C ATOM 658 CD LYS A 45 -35.348 3.910 8.244 1.00 0.00 C ATOM 659 CE LYS A 45 -34.135 3.137 7.770 1.00 0.00 C ATOM 660 NZ LYS A 45 -33.928 3.279 6.308 1.00 0.00 N ATOM 0 H LYS A 45 -38.211 7.458 8.066 1.00 0.00 H new ATOM 0 HA LYS A 45 -36.693 6.070 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -37.883 4.509 8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -38.723 3.812 7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -36.856 2.389 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -36.497 3.204 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -35.239 4.960 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -35.407 3.865 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -33.250 3.490 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -34.256 2.083 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -32.939 3.056 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -34.559 2.625 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -34.140 4.256 6.021 1.00 0.00 H new ATOM 674 N GLN A 46 -38.657 6.273 4.961 1.00 0.00 N ATOM 675 CA GLN A 46 -38.908 6.123 3.530 1.00 0.00 C ATOM 676 C GLN A 46 -38.133 7.141 2.697 1.00 0.00 C ATOM 677 O GLN A 46 -38.463 7.374 1.537 1.00 0.00 O ATOM 678 CB GLN A 46 -40.406 6.216 3.220 1.00 0.00 C ATOM 679 CG GLN A 46 -41.219 5.028 3.716 1.00 0.00 C ATOM 680 CD GLN A 46 -42.671 5.074 3.262 1.00 0.00 C ATOM 681 OE1 GLN A 46 -43.305 4.037 3.065 1.00 0.00 O ATOM 682 NE2 GLN A 46 -43.205 6.260 3.105 1.00 0.00 N ATOM 0 H GLN A 46 -39.139 7.058 5.399 1.00 0.00 H new ATOM 0 HA GLN A 46 -38.552 5.131 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -40.803 7.127 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -40.538 6.308 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -40.761 4.106 3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -41.185 5.000 4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -42.648 7.097 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -44.178 6.346 2.810 1.00 0.00 H new ATOM 691 N THR A 47 -37.103 7.743 3.274 1.00 0.00 N ATOM 692 CA THR A 47 -36.303 8.705 2.534 1.00 0.00 C ATOM 693 C THR A 47 -34.819 8.622 2.903 1.00 0.00 C ATOM 694 O THR A 47 -34.411 8.953 4.023 1.00 0.00 O ATOM 695 CB THR A 47 -36.799 10.143 2.740 1.00 0.00 C ATOM 696 OG1 THR A 47 -38.222 10.192 2.574 1.00 0.00 O ATOM 697 CG2 THR A 47 -36.150 11.082 1.733 1.00 0.00 C ATOM 0 H THR A 47 -36.806 7.585 4.237 1.00 0.00 H new ATOM 0 HA THR A 47 -36.417 8.442 1.482 1.00 0.00 H new ATOM 0 HB THR A 47 -36.530 10.459 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 47 -38.535 11.111 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 47 -36.514 12.097 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 47 -35.068 11.060 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 47 -36.403 10.763 0.722 1.00 0.00 H new ATOM 705 N MET A 48 -34.040 8.147 1.966 1.00 0.00 N ATOM 706 CA MET A 48 -32.598 8.045 2.113 1.00 0.00 C ATOM 707 C MET A 48 -31.921 8.278 0.775 1.00 0.00 C ATOM 708 O MET A 48 -32.355 7.737 -0.247 1.00 0.00 O ATOM 709 CB MET A 48 -32.199 6.676 2.665 1.00 0.00 C ATOM 710 CG MET A 48 -30.696 6.486 2.802 1.00 0.00 C ATOM 711 SD MET A 48 -30.248 4.821 3.318 1.00 0.00 S ATOM 712 CE MET A 48 -28.461 4.949 3.347 1.00 0.00 C ATOM 0 H MET A 48 -34.386 7.814 1.066 1.00 0.00 H new ATOM 0 HA MET A 48 -32.274 8.809 2.820 1.00 0.00 H new ATOM 0 HB2 MET A 48 -32.664 6.538 3.641 1.00 0.00 H new ATOM 0 HB3 MET A 48 -32.596 5.900 2.010 1.00 0.00 H new ATOM 0 HG2 MET A 48 -30.218 6.707 1.848 1.00 0.00 H new ATOM 0 HG3 MET A 48 -30.308 7.203 3.526 1.00 0.00 H new ATOM 0 HE1 MET A 48 -28.023 3.961 3.206 1.00 0.00 H new ATOM 0 HE2 MET A 48 -28.131 5.610 2.546 1.00 0.00 H new ATOM 0 HE3 MET A 48 -28.141 5.354 4.307 1.00 0.00 H new ATOM 722 N LYS A 49 -30.868 9.076 0.775 1.00 0.00 N ATOM 723 CA LYS A 49 -30.127 9.359 -0.447 1.00 0.00 C ATOM 724 C LYS A 49 -28.638 9.466 -0.179 1.00 0.00 C ATOM 725 O LYS A 49 -28.213 9.956 0.869 1.00 0.00 O ATOM 726 CB LYS A 49 -30.641 10.633 -1.126 1.00 0.00 C ATOM 727 CG LYS A 49 -31.922 10.430 -1.924 1.00 0.00 C ATOM 728 CD LYS A 49 -31.676 9.583 -3.170 1.00 0.00 C ATOM 729 CE LYS A 49 -32.967 9.314 -3.935 1.00 0.00 C ATOM 730 NZ LYS A 49 -33.888 8.414 -3.190 1.00 0.00 N ATOM 0 H LYS A 49 -30.505 9.541 1.607 1.00 0.00 H new ATOM 0 HA LYS A 49 -30.290 8.521 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -30.815 11.394 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -29.867 11.017 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -32.670 9.947 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -32.328 11.399 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -30.967 10.093 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -31.220 8.636 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -33.471 10.259 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -32.728 8.868 -4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -34.054 7.550 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -33.462 8.161 -2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -34.793 8.900 -3.028 1.00 0.00 H new ATOM 744 N THR A 50 -27.859 8.974 -1.112 1.00 0.00 N ATOM 745 CA THR A 50 -26.416 9.024 -1.024 1.00 0.00 C ATOM 746 C THR A 50 -25.874 9.841 -2.190 1.00 0.00 C ATOM 747 O THR A 50 -26.324 9.687 -3.324 1.00 0.00 O ATOM 748 CB THR A 50 -25.810 7.610 -1.077 1.00 0.00 C ATOM 749 OG1 THR A 50 -26.533 6.742 -0.194 1.00 0.00 O ATOM 750 CG2 THR A 50 -24.341 7.628 -0.671 1.00 0.00 C ATOM 0 H THR A 50 -28.208 8.525 -1.959 1.00 0.00 H new ATOM 0 HA THR A 50 -26.142 9.484 -0.074 1.00 0.00 H new ATOM 0 HB THR A 50 -25.884 7.247 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 50 -26.146 5.842 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 50 -23.938 6.616 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 50 -23.783 8.272 -1.351 1.00 0.00 H new ATOM 0 HG23 THR A 50 -24.249 8.009 0.346 1.00 0.00 H new ATOM 758 N GLN A 51 -24.924 10.697 -1.917 1.00 0.00 N ATOM 759 CA GLN A 51 -24.360 11.561 -2.938 1.00 0.00 C ATOM 760 C GLN A 51 -22.843 11.459 -2.935 1.00 0.00 C ATOM 761 O GLN A 51 -22.229 11.350 -1.875 1.00 0.00 O ATOM 762 CB GLN A 51 -24.801 13.019 -2.696 1.00 0.00 C ATOM 763 CG GLN A 51 -24.148 14.041 -3.623 1.00 0.00 C ATOM 764 CD GLN A 51 -24.465 13.804 -5.088 1.00 0.00 C ATOM 765 OE1 GLN A 51 -25.539 13.324 -5.440 1.00 0.00 O ATOM 766 NE2 GLN A 51 -23.520 14.124 -5.947 1.00 0.00 N ATOM 0 H GLN A 51 -24.517 10.820 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.726 11.241 -3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -25.883 13.082 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -24.575 13.287 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -24.480 15.041 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -23.068 14.012 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.641 14.521 -5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -23.667 13.975 -6.945 1.00 0.00 H new ATOM 775 N ARG A 52 -22.240 11.471 -4.110 1.00 0.00 N ATOM 776 CA ARG A 52 -20.795 11.431 -4.226 1.00 0.00 C ATOM 777 C ARG A 52 -20.236 12.838 -4.154 1.00 0.00 C ATOM 778 O ARG A 52 -20.809 13.769 -4.722 1.00 0.00 O ATOM 779 CB ARG A 52 -20.365 10.793 -5.545 1.00 0.00 C ATOM 780 CG ARG A 52 -20.754 9.339 -5.709 1.00 0.00 C ATOM 781 CD ARG A 52 -20.263 8.809 -7.041 1.00 0.00 C ATOM 782 NE ARG A 52 -20.691 7.433 -7.285 1.00 0.00 N ATOM 783 CZ ARG A 52 -20.998 6.944 -8.489 1.00 0.00 C ATOM 784 NH1 ARG A 52 -20.943 7.727 -9.564 1.00 0.00 N ATOM 785 NH2 ARG A 52 -21.366 5.673 -8.619 1.00 0.00 N ATOM 0 H ARG A 52 -22.733 11.508 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.408 10.830 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -20.798 11.364 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -19.282 10.876 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.330 8.749 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -21.837 9.236 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -20.633 9.449 -7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -19.175 8.859 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 52 -20.760 6.806 -6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -20.666 8.704 -9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -21.178 7.350 -10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.414 5.070 -7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.600 5.301 -9.540 1.00 0.00 H new ATOM 799 N CYS A 53 -19.135 12.995 -3.460 1.00 0.00 N ATOM 800 CA CYS A 53 -18.502 14.295 -3.331 1.00 0.00 C ATOM 801 C CYS A 53 -17.327 14.402 -4.305 1.00 0.00 C ATOM 802 O CYS A 53 -17.157 13.537 -5.170 1.00 0.00 O ATOM 803 CB CYS A 53 -18.060 14.534 -1.880 1.00 0.00 C ATOM 804 SG CYS A 53 -17.406 13.052 -1.044 1.00 0.00 S ATOM 0 H CYS A 53 -18.654 12.239 -2.973 1.00 0.00 H new ATOM 0 HA CYS A 53 -19.222 15.073 -3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -17.296 15.311 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -18.909 14.913 -1.311 1.00 0.00 H new ATOM 809 N LYS A 54 -16.528 15.441 -4.173 1.00 0.00 N ATOM 810 CA LYS A 54 -15.418 15.672 -5.074 1.00 0.00 C ATOM 811 C LYS A 54 -14.087 15.530 -4.340 1.00 0.00 C ATOM 812 O LYS A 54 -13.943 15.989 -3.208 1.00 0.00 O ATOM 813 CB LYS A 54 -15.540 17.071 -5.670 1.00 0.00 C ATOM 814 CG LYS A 54 -14.511 17.396 -6.724 1.00 0.00 C ATOM 815 CD LYS A 54 -14.680 18.819 -7.220 1.00 0.00 C ATOM 816 CE LYS A 54 -13.707 19.148 -8.332 1.00 0.00 C ATOM 817 NZ LYS A 54 -13.863 20.549 -8.797 1.00 0.00 N ATOM 0 H LYS A 54 -16.629 16.145 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.446 14.929 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.534 17.181 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.461 17.803 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.510 17.266 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.607 16.701 -7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.700 18.960 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.533 19.512 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.687 18.992 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.865 18.467 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.181 20.740 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.830 20.691 -9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.688 21.199 -8.005 1.00 0.00 H new ATOM 831 N ILE A 55 -13.125 14.890 -4.989 1.00 0.00 N ATOM 832 CA ILE A 55 -11.805 14.682 -4.412 1.00 0.00 C ATOM 833 C ILE A 55 -10.722 15.190 -5.368 1.00 0.00 C ATOM 834 O ILE A 55 -10.529 14.629 -6.449 1.00 0.00 O ATOM 835 CB ILE A 55 -11.554 13.177 -4.103 1.00 0.00 C ATOM 836 CG1 ILE A 55 -12.478 12.693 -2.977 1.00 0.00 C ATOM 837 CG2 ILE A 55 -10.091 12.926 -3.740 1.00 0.00 C ATOM 838 CD1 ILE A 55 -12.119 13.238 -1.610 1.00 0.00 C ATOM 0 H ILE A 55 -13.237 14.502 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.761 15.241 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.781 12.608 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.503 12.979 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.451 11.604 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.945 11.867 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.454 13.221 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.829 13.511 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -12.818 12.850 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.106 12.930 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.174 14.326 -1.626 1.00 0.00 H new ATOM 850 N PRO A 56 -10.030 16.280 -4.999 1.00 0.00 N ATOM 851 CA PRO A 56 -8.938 16.831 -5.805 1.00 0.00 C ATOM 852 C PRO A 56 -7.717 15.911 -5.794 1.00 0.00 C ATOM 853 O PRO A 56 -7.185 15.587 -4.730 1.00 0.00 O ATOM 854 CB PRO A 56 -8.601 18.166 -5.109 1.00 0.00 C ATOM 855 CG PRO A 56 -9.718 18.411 -4.145 1.00 0.00 C ATOM 856 CD PRO A 56 -10.264 17.064 -3.783 1.00 0.00 C ATOM 0 HA PRO A 56 -9.220 16.948 -6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.643 18.108 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.523 18.977 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.359 18.936 -3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.490 19.035 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.750 16.637 -2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.323 17.112 -3.530 1.00 0.00 H new ATOM 864 N CYS A 57 -7.280 15.491 -6.969 1.00 0.00 N ATOM 865 CA CYS A 57 -6.128 14.608 -7.082 1.00 0.00 C ATOM 866 C CYS A 57 -5.067 15.210 -7.992 1.00 0.00 C ATOM 867 O CYS A 57 -5.369 16.064 -8.834 1.00 0.00 O ATOM 868 CB CYS A 57 -6.552 13.231 -7.621 1.00 0.00 C ATOM 869 SG CYS A 57 -5.162 12.051 -7.852 1.00 0.00 S ATOM 0 H CYS A 57 -7.705 15.747 -7.860 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.705 14.486 -6.085 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.276 12.792 -6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.060 13.368 -8.576 1.00 0.00 H new ATOM 993 N GLY A 64 1.656 12.444 -24.552 1.00 0.00 N ATOM 994 CA GLY A 64 1.200 12.753 -25.888 1.00 0.00 C ATOM 995 C GLY A 64 -0.295 12.557 -26.022 1.00 0.00 C ATOM 996 O GLY A 64 -0.937 12.046 -25.103 1.00 0.00 O ATOM 0 HA2 GLY A 64 1.456 13.784 -26.132 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.717 12.117 -26.607 1.00 0.00 H new ATOM 1000 N ALA A 65 -0.852 12.966 -27.153 1.00 0.00 N ATOM 1001 CA ALA A 65 -2.282 12.820 -27.393 1.00 0.00 C ATOM 1002 C ALA A 65 -2.565 11.553 -28.190 1.00 0.00 C ATOM 1003 O ALA A 65 -3.330 10.690 -27.759 1.00 0.00 O ATOM 1004 CB ALA A 65 -2.826 14.043 -28.118 1.00 0.00 C ATOM 0 H ALA A 65 -0.337 13.401 -27.918 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.787 12.737 -26.431 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.895 13.918 -28.290 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.657 14.932 -27.510 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.316 14.156 -29.074 1.00 0.00 H new ATOM 1010 N GLU A 66 -1.948 11.450 -29.355 1.00 0.00 N ATOM 1011 CA GLU A 66 -2.098 10.277 -30.200 1.00 0.00 C ATOM 1012 C GLU A 66 -1.053 9.225 -29.858 1.00 0.00 C ATOM 1013 O GLU A 66 -1.205 8.048 -30.187 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.038 10.640 -31.694 1.00 0.00 C ATOM 1015 CG GLU A 66 -0.877 11.548 -32.103 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.121 13.002 -31.759 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.735 13.430 -30.654 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.732 13.720 -32.585 1.00 0.00 O ATOM 0 H GLU A 66 -1.335 12.169 -29.739 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.085 9.858 -30.004 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.977 9.718 -32.272 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.973 11.128 -31.970 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.034 11.210 -31.609 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.710 11.456 -33.176 1.00 0.00 H new ATOM 1025 N CYS A 67 0.007 9.656 -29.207 1.00 0.00 N ATOM 1026 CA CYS A 67 1.038 8.746 -28.760 1.00 0.00 C ATOM 1027 C CYS A 67 0.602 8.080 -27.473 1.00 0.00 C ATOM 1028 O CYS A 67 0.418 8.746 -26.455 1.00 0.00 O ATOM 1029 CB CYS A 67 2.357 9.484 -28.530 1.00 0.00 C ATOM 1030 SG CYS A 67 3.171 10.089 -30.040 1.00 0.00 S ATOM 0 H CYS A 67 0.177 10.635 -28.975 1.00 0.00 H new ATOM 0 HA CYS A 67 1.193 7.994 -29.534 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.172 10.332 -27.870 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.043 8.817 -28.007 1.00 0.00 H new ATOM 1035 N LYS A 68 0.436 6.777 -27.505 1.00 0.00 N ATOM 1036 CA LYS A 68 0.022 6.059 -26.338 1.00 0.00 C ATOM 1037 C LYS A 68 1.148 5.161 -25.873 1.00 0.00 C ATOM 1038 O LYS A 68 1.733 4.413 -26.668 1.00 0.00 O ATOM 1039 CB LYS A 68 -1.234 5.244 -26.617 1.00 0.00 C ATOM 1040 CG LYS A 68 -1.813 4.596 -25.379 1.00 0.00 C ATOM 1041 CD LYS A 68 -3.126 3.904 -25.677 1.00 0.00 C ATOM 1042 CE LYS A 68 -3.755 3.335 -24.417 1.00 0.00 C ATOM 1043 NZ LYS A 68 -5.058 2.684 -24.696 1.00 0.00 N ATOM 0 H LYS A 68 0.584 6.199 -28.332 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.216 6.774 -25.550 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.987 5.892 -27.066 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.002 4.470 -27.349 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.102 3.873 -24.979 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.966 5.352 -24.609 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.814 4.611 -26.141 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.961 3.102 -26.396 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.076 2.611 -23.967 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.897 4.134 -23.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.455 2.309 -23.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.715 3.381 -25.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.919 1.905 -25.371 1.00 0.00 H new ATOM 1057 N TYR A 69 1.452 5.239 -24.603 1.00 0.00 N ATOM 1058 CA TYR A 69 2.538 4.479 -24.033 1.00 0.00 C ATOM 1059 C TYR A 69 2.025 3.332 -23.188 1.00 0.00 C ATOM 1060 O TYR A 69 0.917 3.389 -22.649 1.00 0.00 O ATOM 1061 CB TYR A 69 3.406 5.377 -23.165 1.00 0.00 C ATOM 1062 CG TYR A 69 4.402 6.197 -23.932 1.00 0.00 C ATOM 1063 CD1 TYR A 69 4.025 6.942 -25.035 1.00 0.00 C ATOM 1064 CD2 TYR A 69 5.724 6.237 -23.542 1.00 0.00 C ATOM 1065 CE1 TYR A 69 4.931 7.704 -25.716 1.00 0.00 C ATOM 1066 CE2 TYR A 69 6.641 6.990 -24.227 1.00 0.00 C ATOM 1067 CZ TYR A 69 6.235 7.729 -25.314 1.00 0.00 C ATOM 1068 OH TYR A 69 7.136 8.504 -25.994 1.00 0.00 O ATOM 0 H TYR A 69 0.956 5.829 -23.935 1.00 0.00 H new ATOM 0 HA TYR A 69 3.124 4.074 -24.858 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.761 6.047 -22.596 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.940 4.759 -22.443 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.996 6.921 -25.363 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.042 5.665 -22.683 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.616 8.285 -26.570 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.675 7.003 -23.916 1.00 0.00 H new ATOM 0 HH TYR A 69 7.941 7.979 -26.185 1.00 0.00 H new ATOM 1078 N GLN A 70 2.817 2.291 -23.093 1.00 0.00 N ATOM 1079 CA GLN A 70 2.502 1.182 -22.231 1.00 0.00 C ATOM 1080 C GLN A 70 3.369 1.286 -20.990 1.00 0.00 C ATOM 1081 O GLN A 70 4.594 1.228 -21.076 1.00 0.00 O ATOM 1082 CB GLN A 70 2.738 -0.148 -22.948 1.00 0.00 C ATOM 1083 CG GLN A 70 2.259 -1.350 -22.156 1.00 0.00 C ATOM 1084 CD GLN A 70 0.796 -1.233 -21.772 1.00 0.00 C ATOM 1085 OE1 GLN A 70 0.461 -0.687 -20.722 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -0.075 -1.740 -22.612 1.00 0.00 N ATOM 0 H GLN A 70 3.692 2.191 -23.608 1.00 0.00 H new ATOM 0 HA GLN A 70 1.449 1.216 -21.952 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.228 -0.129 -23.911 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.803 -0.258 -23.154 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.408 -2.255 -22.745 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.863 -1.454 -21.255 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.245 -2.185 -23.472 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.072 -1.690 -22.405 1.00 0.00 H new ATOM 1095 N PHE A 71 2.737 1.455 -19.849 1.00 0.00 N ATOM 1096 CA PHE A 71 3.457 1.661 -18.604 1.00 0.00 C ATOM 1097 C PHE A 71 3.671 0.370 -17.834 1.00 0.00 C ATOM 1098 O PHE A 71 2.720 -0.283 -17.416 1.00 0.00 O ATOM 1099 CB PHE A 71 2.730 2.680 -17.728 1.00 0.00 C ATOM 1100 CG PHE A 71 2.563 4.022 -18.382 1.00 0.00 C ATOM 1101 CD1 PHE A 71 1.357 4.380 -18.964 1.00 0.00 C ATOM 1102 CD2 PHE A 71 3.614 4.923 -18.421 1.00 0.00 C ATOM 1103 CE1 PHE A 71 1.203 5.610 -19.570 1.00 0.00 C ATOM 1104 CE2 PHE A 71 3.466 6.154 -19.025 1.00 0.00 C ATOM 1105 CZ PHE A 71 2.259 6.498 -19.601 1.00 0.00 C ATOM 0 H PHE A 71 1.721 1.454 -19.754 1.00 0.00 H new ATOM 0 HA PHE A 71 4.442 2.046 -18.869 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.747 2.287 -17.467 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.281 2.805 -16.796 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.528 3.688 -18.943 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.561 4.659 -17.973 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.258 5.877 -20.019 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.293 6.848 -19.047 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.142 7.461 -20.075 1.00 0.00 H new ATOM 1115 N GLN A 72 4.923 0.031 -17.635 1.00 0.00 N ATOM 1116 CA GLN A 72 5.306 -1.143 -16.881 1.00 0.00 C ATOM 1117 C GLN A 72 6.193 -0.730 -15.724 1.00 0.00 C ATOM 1118 O GLN A 72 6.734 0.379 -15.707 1.00 0.00 O ATOM 1119 CB GLN A 72 6.022 -2.148 -17.763 1.00 0.00 C ATOM 1120 CG GLN A 72 7.447 -1.794 -18.041 1.00 0.00 C ATOM 1121 CD GLN A 72 7.970 -2.434 -19.320 1.00 0.00 C ATOM 1122 OE1 GLN A 72 7.206 -2.694 -20.257 1.00 0.00 O ATOM 1123 NE2 GLN A 72 9.261 -2.696 -19.370 1.00 0.00 N ATOM 0 H GLN A 72 5.713 0.566 -17.995 1.00 0.00 H new ATOM 0 HA GLN A 72 4.406 -1.622 -16.496 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.986 -3.127 -17.286 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.487 -2.235 -18.709 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.540 -0.711 -18.117 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.066 -2.110 -17.201 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.859 -2.467 -18.576 1.00 0.00 H new ATOM 0 HE22 GLN A 72 9.662 -3.128 -20.202 1.00 0.00 H new ATOM 1132 N ALA A 73 6.341 -1.591 -14.773 1.00 0.00 N ATOM 1133 CA ALA A 73 7.111 -1.273 -13.593 1.00 0.00 C ATOM 1134 C ALA A 73 8.571 -1.589 -13.798 1.00 0.00 C ATOM 1135 O ALA A 73 8.921 -2.594 -14.418 1.00 0.00 O ATOM 1136 CB ALA A 73 6.570 -2.012 -12.382 1.00 0.00 C ATOM 0 H ALA A 73 5.940 -2.529 -14.780 1.00 0.00 H new ATOM 0 HA ALA A 73 7.019 -0.202 -13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.165 -1.758 -11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.533 -1.723 -12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.624 -3.086 -12.558 1.00 0.00 H new ATOM 1142 N TRP A 74 9.422 -0.736 -13.271 1.00 0.00 N ATOM 1143 CA TRP A 74 10.853 -0.923 -13.378 1.00 0.00 C ATOM 1144 C TRP A 74 11.352 -1.569 -12.098 1.00 0.00 C ATOM 1145 O TRP A 74 12.522 -1.929 -11.963 1.00 0.00 O ATOM 1146 CB TRP A 74 11.548 0.421 -13.623 1.00 0.00 C ATOM 1147 CG TRP A 74 12.957 0.290 -14.114 1.00 0.00 C ATOM 1148 CD1 TRP A 74 14.088 0.727 -13.492 1.00 0.00 C ATOM 1149 CD2 TRP A 74 13.383 -0.328 -15.335 1.00 0.00 C ATOM 1150 NE1 TRP A 74 15.188 0.425 -14.253 1.00 0.00 N ATOM 1151 CE2 TRP A 74 14.782 -0.225 -15.388 1.00 0.00 C ATOM 1152 CE3 TRP A 74 12.715 -0.960 -16.388 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 15.527 -0.727 -16.453 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 13.454 -1.457 -17.443 1.00 0.00 C ATOM 1155 CH2 TRP A 74 14.846 -1.339 -17.467 1.00 0.00 C ATOM 0 H TRP A 74 9.144 0.102 -12.759 1.00 0.00 H new ATOM 0 HA TRP A 74 11.084 -1.571 -14.223 1.00 0.00 H new ATOM 0 HB2 TRP A 74 10.971 0.991 -14.351 1.00 0.00 H new ATOM 0 HB3 TRP A 74 11.548 0.994 -12.696 1.00 0.00 H new ATOM 0 HD1 TRP A 74 14.114 1.236 -12.540 1.00 0.00 H new ATOM 0 HE1 TRP A 74 16.154 0.649 -14.012 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.639 -1.058 -16.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 16.603 -0.636 -16.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.948 -1.945 -18.263 1.00 0.00 H new ATOM 0 HH2 TRP A 74 15.396 -1.740 -18.306 1.00 0.00 H new ATOM 1166 N GLY A 75 10.440 -1.711 -11.161 1.00 0.00 N ATOM 1167 CA GLY A 75 10.750 -2.313 -9.905 1.00 0.00 C ATOM 1168 C GLY A 75 9.918 -1.746 -8.793 1.00 0.00 C ATOM 1169 O GLY A 75 8.967 -0.993 -9.033 1.00 0.00 O ATOM 0 H GLY A 75 9.470 -1.410 -11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.587 -3.389 -9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.806 -2.163 -9.681 1.00 0.00 H new ATOM 1173 N GLU A 76 10.270 -2.102 -7.590 1.00 0.00 N ATOM 1174 CA GLU A 76 9.614 -1.651 -6.393 1.00 0.00 C ATOM 1175 C GLU A 76 10.365 -0.464 -5.835 1.00 0.00 C ATOM 1176 O GLU A 76 11.571 -0.350 -6.083 1.00 0.00 O ATOM 1177 CB GLU A 76 9.590 -2.768 -5.369 1.00 0.00 C ATOM 1178 CG GLU A 76 10.945 -3.418 -5.154 1.00 0.00 C ATOM 1179 CD GLU A 76 10.958 -4.372 -3.994 1.00 0.00 C ATOM 1180 OE1 GLU A 76 9.891 -4.940 -3.665 1.00 0.00 O ATOM 1181 OE2 GLU A 76 12.036 -4.576 -3.407 1.00 0.00 O ATOM 0 H GLU A 76 11.048 -2.736 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 76 8.589 -1.361 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.230 -2.372 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.877 -3.528 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.234 -3.951 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.692 -2.642 -4.988 1.00 0.00 H new ATOM 1188 N CYS A 77 9.634 0.462 -5.180 1.00 0.00 N ATOM 1189 CA CYS A 77 10.229 1.656 -4.525 1.00 0.00 C ATOM 1190 C CYS A 77 11.698 1.458 -4.180 1.00 0.00 C ATOM 1191 O CYS A 77 12.067 0.508 -3.478 1.00 0.00 O ATOM 1192 CB CYS A 77 9.463 2.005 -3.242 1.00 0.00 C ATOM 1193 SG CYS A 77 7.948 2.979 -3.498 1.00 0.00 S ATOM 0 H CYS A 77 8.620 0.408 -5.088 1.00 0.00 H new ATOM 0 HA CYS A 77 10.153 2.472 -5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 77 9.201 1.080 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.127 2.560 -2.579 1.00 0.00 H new ATOM 1198 N ASP A 78 12.527 2.362 -4.654 1.00 0.00 N ATOM 1199 CA ASP A 78 13.947 2.271 -4.431 1.00 0.00 C ATOM 1200 C ASP A 78 14.258 2.782 -3.055 1.00 0.00 C ATOM 1201 O ASP A 78 13.970 3.919 -2.725 1.00 0.00 O ATOM 1202 CB ASP A 78 14.728 3.045 -5.484 1.00 0.00 C ATOM 1203 CG ASP A 78 14.645 2.404 -6.854 1.00 0.00 C ATOM 1204 OD1 ASP A 78 15.162 1.277 -7.019 1.00 0.00 O ATOM 1205 OD2 ASP A 78 14.068 3.026 -7.780 1.00 0.00 O ATOM 0 H ASP A 78 12.236 3.173 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 78 14.251 1.227 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.346 4.064 -5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.773 3.113 -5.180 1.00 0.00 H new ATOM 1210 N LEU A 79 14.831 1.931 -2.265 1.00 0.00 N ATOM 1211 CA LEU A 79 15.094 2.218 -0.864 1.00 0.00 C ATOM 1212 C LEU A 79 16.173 3.246 -0.686 1.00 0.00 C ATOM 1213 O LEU A 79 16.195 3.974 0.306 1.00 0.00 O ATOM 1214 CB LEU A 79 15.492 0.958 -0.169 1.00 0.00 C ATOM 1215 CG LEU A 79 14.574 -0.214 -0.429 1.00 0.00 C ATOM 1216 CD1 LEU A 79 15.142 -1.486 0.171 1.00 0.00 C ATOM 1217 CD2 LEU A 79 13.176 0.061 0.109 1.00 0.00 C ATOM 0 H LEU A 79 15.138 1.005 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 79 14.179 2.623 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.502 0.689 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.528 1.145 0.904 1.00 0.00 H new ATOM 0 HG LEU A 79 14.499 -0.352 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.465 -2.316 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.114 -1.696 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.256 -1.361 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.534 -0.797 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.227 0.234 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.765 0.943 -0.381 1.00 0.00 H new ATOM 1229 N ASN A 80 17.070 3.305 -1.631 1.00 0.00 N ATOM 1230 CA ASN A 80 18.153 4.236 -1.558 1.00 0.00 C ATOM 1231 C ASN A 80 17.643 5.638 -1.766 1.00 0.00 C ATOM 1232 O ASN A 80 18.100 6.579 -1.124 1.00 0.00 O ATOM 1233 CB ASN A 80 19.210 3.909 -2.614 1.00 0.00 C ATOM 1234 CG ASN A 80 20.368 4.890 -2.614 1.00 0.00 C ATOM 1235 OD1 ASN A 80 20.784 5.385 -1.568 1.00 0.00 O ATOM 1236 ND2 ASN A 80 20.880 5.188 -3.788 1.00 0.00 N ATOM 0 H ASN A 80 17.069 2.715 -2.463 1.00 0.00 H new ATOM 0 HA ASN A 80 18.608 4.162 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.592 2.903 -2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 80 18.743 3.906 -3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 80 21.651 5.852 -3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 80 20.506 4.755 -4.632 1.00 0.00 H new ATOM 1243 N THR A 81 16.677 5.782 -2.652 1.00 0.00 N ATOM 1244 CA THR A 81 16.194 7.110 -3.008 1.00 0.00 C ATOM 1245 C THR A 81 14.836 7.423 -2.396 1.00 0.00 C ATOM 1246 O THR A 81 14.386 8.572 -2.425 1.00 0.00 O ATOM 1247 CB THR A 81 16.094 7.231 -4.539 1.00 0.00 C ATOM 1248 OG1 THR A 81 15.196 6.225 -5.037 1.00 0.00 O ATOM 1249 CG2 THR A 81 17.462 7.031 -5.175 1.00 0.00 C ATOM 0 H THR A 81 16.214 5.012 -3.134 1.00 0.00 H new ATOM 0 HA THR A 81 16.911 7.828 -2.609 1.00 0.00 H new ATOM 0 HB THR A 81 15.724 8.225 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.129 6.300 -6.012 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.376 7.119 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.151 7.789 -4.803 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.840 6.041 -4.921 1.00 0.00 H new ATOM 1257 N ALA A 82 14.216 6.408 -1.812 1.00 0.00 N ATOM 1258 CA ALA A 82 12.865 6.500 -1.258 1.00 0.00 C ATOM 1259 C ALA A 82 11.851 6.906 -2.343 1.00 0.00 C ATOM 1260 O ALA A 82 10.780 7.459 -2.050 1.00 0.00 O ATOM 1261 CB ALA A 82 12.822 7.464 -0.075 1.00 0.00 C ATOM 0 H ALA A 82 14.638 5.485 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 82 12.584 5.512 -0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.806 7.513 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.496 7.112 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.133 8.456 -0.403 1.00 0.00 H new ATOM 1267 N LEU A 83 12.185 6.594 -3.589 1.00 0.00 N ATOM 1268 CA LEU A 83 11.365 6.950 -4.741 1.00 0.00 C ATOM 1269 C LEU A 83 11.087 5.722 -5.556 1.00 0.00 C ATOM 1270 O LEU A 83 11.771 4.725 -5.424 1.00 0.00 O ATOM 1271 CB LEU A 83 12.070 7.990 -5.607 1.00 0.00 C ATOM 1272 CG LEU A 83 12.772 9.122 -4.861 1.00 0.00 C ATOM 1273 CD1 LEU A 83 13.543 9.979 -5.831 1.00 0.00 C ATOM 1274 CD2 LEU A 83 11.786 9.976 -4.091 1.00 0.00 C ATOM 0 H LEU A 83 13.035 6.085 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 83 10.428 7.376 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.807 7.478 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.336 8.428 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 83 13.460 8.673 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.040 10.784 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.289 9.370 -6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.858 10.404 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.321 10.772 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.066 10.414 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.260 9.358 -3.363 1.00 0.00 H new ATOM 1286 N LYS A 84 10.102 5.792 -6.399 1.00 0.00 N ATOM 1287 CA LYS A 84 9.727 4.655 -7.188 1.00 0.00 C ATOM 1288 C LYS A 84 9.884 4.983 -8.654 1.00 0.00 C ATOM 1289 O LYS A 84 9.696 6.130 -9.061 1.00 0.00 O ATOM 1290 CB LYS A 84 8.288 4.265 -6.877 1.00 0.00 C ATOM 1291 CG LYS A 84 7.917 2.890 -7.368 1.00 0.00 C ATOM 1292 CD LYS A 84 6.538 2.465 -6.875 1.00 0.00 C ATOM 1293 CE LYS A 84 5.448 3.419 -7.343 1.00 0.00 C ATOM 1294 NZ LYS A 84 4.114 3.034 -6.820 1.00 0.00 N ATOM 0 H LYS A 84 9.540 6.628 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 84 10.375 3.812 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.133 4.311 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.617 4.996 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.933 2.877 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.662 2.170 -7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.319 1.459 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.539 2.422 -5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.687 4.431 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.421 3.433 -8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.399 3.708 -7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.874 2.078 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.132 3.046 -5.780 1.00 0.00 H new ATOM 1308 N THR A 85 10.224 3.986 -9.449 1.00 0.00 N ATOM 1309 CA THR A 85 10.487 4.192 -10.856 1.00 0.00 C ATOM 1310 C THR A 85 9.508 3.374 -11.711 1.00 0.00 C ATOM 1311 O THR A 85 9.152 2.243 -11.360 1.00 0.00 O ATOM 1312 CB THR A 85 11.932 3.786 -11.197 1.00 0.00 C ATOM 1313 OG1 THR A 85 12.839 4.348 -10.221 1.00 0.00 O ATOM 1314 CG2 THR A 85 12.324 4.275 -12.582 1.00 0.00 C ATOM 0 H THR A 85 10.324 3.019 -9.139 1.00 0.00 H new ATOM 0 HA THR A 85 10.352 5.251 -11.076 1.00 0.00 H new ATOM 0 HB THR A 85 11.992 2.698 -11.181 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.044 3.675 -9.539 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.349 3.975 -12.797 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.655 3.840 -13.324 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.249 5.362 -12.619 1.00 0.00 H new ATOM 1322 N ARG A 86 9.083 3.948 -12.819 1.00 0.00 N ATOM 1323 CA ARG A 86 8.122 3.327 -13.723 1.00 0.00 C ATOM 1324 C ARG A 86 8.630 3.519 -15.154 1.00 0.00 C ATOM 1325 O ARG A 86 9.178 4.576 -15.472 1.00 0.00 O ATOM 1326 CB ARG A 86 6.744 4.001 -13.562 1.00 0.00 C ATOM 1327 CG ARG A 86 5.606 3.320 -14.321 1.00 0.00 C ATOM 1328 CD ARG A 86 5.104 2.082 -13.588 1.00 0.00 C ATOM 1329 NE ARG A 86 4.108 1.338 -14.374 1.00 0.00 N ATOM 1330 CZ ARG A 86 3.320 0.371 -13.881 1.00 0.00 C ATOM 1331 NH1 ARG A 86 3.377 0.055 -12.594 1.00 0.00 N ATOM 1332 NH2 ARG A 86 2.481 -0.283 -14.680 1.00 0.00 N ATOM 0 H ARG A 86 9.396 4.869 -13.125 1.00 0.00 H new ATOM 0 HA ARG A 86 8.017 2.266 -13.497 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.490 4.029 -12.502 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.819 5.035 -13.899 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.784 4.024 -14.453 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.949 3.040 -15.317 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.947 1.429 -13.361 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.665 2.379 -12.635 1.00 0.00 H new ATOM 0 HE ARG A 86 4.010 1.574 -15.362 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.021 0.548 -11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.776 -0.681 -12.222 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.435 -0.050 -15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.884 -1.018 -14.301 1.00 0.00 H new ATOM 1346 N THR A 87 8.476 2.519 -16.003 1.00 0.00 N ATOM 1347 CA THR A 87 8.962 2.619 -17.368 1.00 0.00 C ATOM 1348 C THR A 87 7.806 2.503 -18.356 1.00 0.00 C ATOM 1349 O THR A 87 6.850 1.782 -18.111 1.00 0.00 O ATOM 1350 CB THR A 87 10.027 1.528 -17.646 1.00 0.00 C ATOM 1351 OG1 THR A 87 11.128 1.703 -16.743 1.00 0.00 O ATOM 1352 CG2 THR A 87 10.543 1.595 -19.080 1.00 0.00 C ATOM 0 H THR A 87 8.022 1.635 -15.774 1.00 0.00 H new ATOM 0 HA THR A 87 9.428 3.596 -17.498 1.00 0.00 H new ATOM 0 HB THR A 87 9.559 0.555 -17.499 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.609 0.855 -16.646 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.288 0.814 -19.236 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.714 1.449 -19.772 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.997 2.570 -19.258 1.00 0.00 H new ATOM 1360 N GLY A 88 7.883 3.228 -19.452 1.00 0.00 N ATOM 1361 CA GLY A 88 6.835 3.170 -20.431 1.00 0.00 C ATOM 1362 C GLY A 88 7.379 3.091 -21.834 1.00 0.00 C ATOM 1363 O GLY A 88 8.456 3.584 -22.113 1.00 0.00 O ATOM 0 H GLY A 88 8.654 3.856 -19.680 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.205 2.302 -20.237 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.201 4.052 -20.337 1.00 0.00 H new ATOM 1367 N SER A 89 6.640 2.460 -22.698 1.00 0.00 N ATOM 1368 CA SER A 89 7.050 2.335 -24.087 1.00 0.00 C ATOM 1369 C SER A 89 5.971 2.799 -25.037 1.00 0.00 C ATOM 1370 O SER A 89 4.801 2.454 -24.883 1.00 0.00 O ATOM 1371 CB SER A 89 7.461 0.897 -24.392 1.00 0.00 C ATOM 1372 OG SER A 89 8.479 0.462 -23.497 1.00 0.00 O ATOM 0 H SER A 89 5.747 2.019 -22.476 1.00 0.00 H new ATOM 0 HA SER A 89 7.912 2.986 -24.237 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.594 0.241 -24.311 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.819 0.826 -25.419 1.00 0.00 H new ATOM 0 HG SER A 89 8.727 -0.462 -23.708 1.00 0.00 H new ATOM 1378 N LEU A 90 6.372 3.585 -26.020 1.00 0.00 N ATOM 1379 CA LEU A 90 5.471 4.111 -26.993 1.00 0.00 C ATOM 1380 C LEU A 90 5.058 3.014 -27.981 1.00 0.00 C ATOM 1381 O LEU A 90 5.909 2.338 -28.566 1.00 0.00 O ATOM 1382 CB LEU A 90 6.152 5.291 -27.674 1.00 0.00 C ATOM 1383 CG LEU A 90 5.373 6.064 -28.731 1.00 0.00 C ATOM 1384 CD1 LEU A 90 5.478 5.400 -30.052 1.00 0.00 C ATOM 1385 CD2 LEU A 90 3.914 6.227 -28.354 1.00 0.00 C ATOM 0 H LEU A 90 7.342 3.870 -26.154 1.00 0.00 H new ATOM 0 HA LEU A 90 4.551 4.463 -26.527 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.449 5.996 -26.898 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.067 4.924 -28.138 1.00 0.00 H new ATOM 0 HG LEU A 90 5.819 7.057 -28.791 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.914 5.969 -30.791 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.525 5.351 -30.353 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.072 4.390 -29.985 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.396 6.784 -29.135 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.455 5.245 -28.243 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.840 6.770 -27.412 1.00 0.00 H new ATOM 1397 N LYS A 91 3.753 2.846 -28.158 1.00 0.00 N ATOM 1398 CA LYS A 91 3.223 1.800 -29.022 1.00 0.00 C ATOM 1399 C LYS A 91 3.138 2.287 -30.460 1.00 0.00 C ATOM 1400 O LYS A 91 3.613 1.621 -31.384 1.00 0.00 O ATOM 1401 CB LYS A 91 1.831 1.371 -28.551 1.00 0.00 C ATOM 1402 CG LYS A 91 1.791 0.772 -27.152 1.00 0.00 C ATOM 1403 CD LYS A 91 0.363 0.441 -26.729 1.00 0.00 C ATOM 1404 CE LYS A 91 -0.285 -0.570 -27.668 1.00 0.00 C ATOM 1405 NZ LYS A 91 -1.693 -0.840 -27.304 1.00 0.00 N ATOM 0 H LYS A 91 3.040 3.424 -27.712 1.00 0.00 H new ATOM 0 HA LYS A 91 3.900 0.947 -28.972 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.169 2.237 -28.580 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.432 0.641 -29.256 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.399 -0.132 -27.124 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.229 1.473 -26.442 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.367 0.044 -25.714 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.232 1.354 -26.711 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.240 -0.196 -28.691 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.281 -1.501 -27.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.096 -1.532 -27.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.735 -1.221 -26.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.239 0.044 -27.351 1.00 0.00 H new ATOM 1419 N ARG A 92 2.526 3.448 -30.642 1.00 0.00 N ATOM 1420 CA ARG A 92 2.364 4.037 -31.958 1.00 0.00 C ATOM 1421 C ARG A 92 2.488 5.549 -31.865 1.00 0.00 C ATOM 1422 O ARG A 92 2.014 6.154 -30.903 1.00 0.00 O ATOM 1423 CB ARG A 92 1.000 3.672 -32.540 1.00 0.00 C ATOM 1424 CG ARG A 92 0.804 4.144 -33.969 1.00 0.00 C ATOM 1425 CD ARG A 92 -0.606 3.886 -34.444 1.00 0.00 C ATOM 1426 NE ARG A 92 -0.773 4.216 -35.857 1.00 0.00 N ATOM 1427 CZ ARG A 92 -1.935 4.532 -36.427 1.00 0.00 C ATOM 1428 NH1 ARG A 92 -3.044 4.590 -35.700 1.00 0.00 N ATOM 1429 NH2 ARG A 92 -1.987 4.786 -37.727 1.00 0.00 N ATOM 0 H ARG A 92 2.130 4.004 -29.884 1.00 0.00 H new ATOM 0 HA ARG A 92 3.144 3.647 -32.612 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.876 2.590 -32.503 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.219 4.103 -31.913 1.00 0.00 H new ATOM 0 HG2 ARG A 92 1.023 5.210 -34.035 1.00 0.00 H new ATOM 0 HG3 ARG A 92 1.510 3.632 -34.623 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.857 2.837 -34.284 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.303 4.475 -33.849 1.00 0.00 H new ATOM 0 HE ARG A 92 0.058 4.204 -36.449 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.009 4.392 -34.700 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.931 4.832 -36.141 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.138 4.739 -38.290 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.876 5.028 -38.164 1.00 0.00 H new ATOM 1443 N ALA A 93 3.114 6.149 -32.858 1.00 0.00 N ATOM 1444 CA ALA A 93 3.297 7.585 -32.905 1.00 0.00 C ATOM 1445 C ALA A 93 2.973 8.066 -34.298 1.00 0.00 C ATOM 1446 O ALA A 93 3.308 7.396 -35.277 1.00 0.00 O ATOM 1447 CB ALA A 93 4.728 7.959 -32.541 1.00 0.00 C ATOM 0 H ALA A 93 3.511 5.653 -33.656 1.00 0.00 H new ATOM 0 HA ALA A 93 2.633 8.059 -32.182 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.843 9.042 -32.583 1.00 0.00 H new ATOM 0 HB2 ALA A 93 4.950 7.609 -31.533 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.416 7.494 -33.247 1.00 0.00 H new ATOM 1453 N LEU A 94 2.313 9.193 -34.406 1.00 0.00 N ATOM 1454 CA LEU A 94 1.962 9.731 -35.703 1.00 0.00 C ATOM 1455 C LEU A 94 3.071 10.629 -36.227 1.00 0.00 C ATOM 1456 O LEU A 94 4.055 10.876 -35.544 1.00 0.00 O ATOM 1457 CB LEU A 94 0.628 10.481 -35.644 1.00 0.00 C ATOM 1458 CG LEU A 94 -0.647 9.620 -35.723 1.00 0.00 C ATOM 1459 CD1 LEU A 94 -0.711 8.609 -34.586 1.00 0.00 C ATOM 1460 CD2 LEU A 94 -1.879 10.505 -35.718 1.00 0.00 C ATOM 0 H LEU A 94 2.007 9.757 -33.613 1.00 0.00 H new ATOM 0 HA LEU A 94 1.843 8.898 -36.396 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.598 11.051 -34.716 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.605 11.201 -36.462 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.616 9.061 -36.658 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.624 8.020 -34.674 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.154 7.948 -34.638 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.709 9.135 -33.631 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.773 9.884 -35.774 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.902 11.092 -34.800 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.849 11.176 -36.577 1.00 0.00 H new ATOM 1472 N HIS A 95 2.911 11.116 -37.437 1.00 0.00 N ATOM 1473 CA HIS A 95 3.935 11.935 -38.074 1.00 0.00 C ATOM 1474 C HIS A 95 3.837 13.398 -37.638 1.00 0.00 C ATOM 1475 O HIS A 95 4.629 14.238 -38.062 1.00 0.00 O ATOM 1476 CB HIS A 95 3.850 11.813 -39.601 1.00 0.00 C ATOM 1477 CG HIS A 95 4.082 10.415 -40.106 1.00 0.00 C ATOM 1478 ND1 HIS A 95 5.277 9.994 -40.639 1.00 0.00 N ATOM 1479 CD2 HIS A 95 3.261 9.339 -40.149 1.00 0.00 C ATOM 1480 CE1 HIS A 95 5.181 8.725 -40.984 1.00 0.00 C ATOM 1481 NE2 HIS A 95 3.969 8.304 -40.696 1.00 0.00 N ATOM 0 H HIS A 95 2.080 10.962 -38.007 1.00 0.00 H new ATOM 0 HA HIS A 95 4.907 11.562 -37.751 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.867 12.151 -39.930 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.584 12.480 -40.052 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.235 9.304 -39.813 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.966 8.131 -41.428 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.615 7.361 -40.854 1.00 0.00 H new ATOM 1490 N ASN A 96 2.879 13.688 -36.771 1.00 0.00 N ATOM 1491 CA ASN A 96 2.678 15.048 -36.261 1.00 0.00 C ATOM 1492 C ASN A 96 3.268 15.182 -34.869 1.00 0.00 C ATOM 1493 O ASN A 96 3.012 16.158 -34.158 1.00 0.00 O ATOM 1494 CB ASN A 96 1.185 15.407 -36.222 1.00 0.00 C ATOM 1495 CG ASN A 96 0.415 14.583 -35.196 1.00 0.00 C ATOM 1496 OD1 ASN A 96 0.721 13.420 -34.962 1.00 0.00 O ATOM 1497 ND2 ASN A 96 -0.578 15.184 -34.575 1.00 0.00 N ATOM 0 H ASN A 96 2.223 13.001 -36.401 1.00 0.00 H new ATOM 0 HA ASN A 96 3.185 15.736 -36.937 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.075 16.466 -35.990 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.751 15.250 -37.209 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.121 14.680 -33.874 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.805 16.154 -34.795 1.00 0.00 H new ATOM 1504 N ALA A 97 4.086 14.226 -34.515 1.00 0.00 N ATOM 1505 CA ALA A 97 4.690 14.166 -33.190 1.00 0.00 C ATOM 1506 C ALA A 97 5.702 13.046 -33.105 1.00 0.00 C ATOM 1507 O ALA A 97 5.386 11.891 -33.369 1.00 0.00 O ATOM 1508 CB ALA A 97 3.619 13.980 -32.117 1.00 0.00 C ATOM 0 H ALA A 97 4.359 13.461 -35.131 1.00 0.00 H new ATOM 0 HA ALA A 97 5.204 15.112 -33.017 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.091 13.938 -31.135 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.923 14.818 -32.149 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.078 13.051 -32.300 1.00 0.00 H new ATOM 1514 N GLU A 98 6.916 13.381 -32.746 1.00 0.00 N ATOM 1515 CA GLU A 98 7.932 12.377 -32.587 1.00 0.00 C ATOM 1516 C GLU A 98 7.988 11.933 -31.138 1.00 0.00 C ATOM 1517 O GLU A 98 8.394 12.689 -30.250 1.00 0.00 O ATOM 1518 CB GLU A 98 9.286 12.884 -33.072 1.00 0.00 C ATOM 1519 CG GLU A 98 9.675 14.225 -32.509 1.00 0.00 C ATOM 1520 CD GLU A 98 11.025 14.680 -32.999 1.00 0.00 C ATOM 1521 OE1 GLU A 98 12.044 14.150 -32.511 1.00 0.00 O ATOM 1522 OE2 GLU A 98 11.071 15.561 -33.884 1.00 0.00 O ATOM 0 H GLU A 98 7.222 14.336 -32.560 1.00 0.00 H new ATOM 0 HA GLU A 98 7.677 11.514 -33.203 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.052 12.155 -32.808 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.270 12.949 -34.160 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.923 14.964 -32.784 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.685 14.171 -31.420 1.00 0.00 H new ATOM 1529 N CYS A 99 7.562 10.719 -30.899 1.00 0.00 N ATOM 1530 CA CYS A 99 7.517 10.199 -29.566 1.00 0.00 C ATOM 1531 C CYS A 99 8.566 9.121 -29.364 1.00 0.00 C ATOM 1532 O CYS A 99 8.725 8.225 -30.194 1.00 0.00 O ATOM 1533 CB CYS A 99 6.106 9.694 -29.248 1.00 0.00 C ATOM 1534 SG CYS A 99 4.835 11.013 -29.332 1.00 0.00 S ATOM 0 H CYS A 99 7.240 10.072 -31.619 1.00 0.00 H new ATOM 0 HA CYS A 99 7.752 11.001 -28.866 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.844 8.900 -29.948 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.100 9.255 -28.251 1.00 0.00 H new ATOM 1539 N GLN A 100 9.285 9.233 -28.260 1.00 0.00 N ATOM 1540 CA GLN A 100 10.351 8.297 -27.912 1.00 0.00 C ATOM 1541 C GLN A 100 9.786 6.912 -27.610 1.00 0.00 C ATOM 1542 O GLN A 100 8.668 6.781 -27.146 1.00 0.00 O ATOM 1543 CB GLN A 100 11.139 8.835 -26.721 1.00 0.00 C ATOM 1544 CG GLN A 100 10.263 9.229 -25.550 1.00 0.00 C ATOM 1545 CD GLN A 100 11.012 9.992 -24.482 1.00 0.00 C ATOM 1546 OE1 GLN A 100 12.206 9.786 -24.265 1.00 0.00 O ATOM 1547 NE2 GLN A 100 10.317 10.888 -23.815 1.00 0.00 N ATOM 0 H GLN A 100 9.149 9.976 -27.575 1.00 0.00 H new ATOM 0 HA GLN A 100 11.023 8.198 -28.764 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.851 8.078 -26.394 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.719 9.701 -27.040 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.435 9.839 -25.912 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.829 8.331 -25.110 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.329 11.028 -24.026 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.766 11.443 -23.087 1.00 0.00 H new ATOM 1556 N LYS A 101 10.578 5.891 -27.865 1.00 0.00 N ATOM 1557 CA LYS A 101 10.124 4.524 -27.761 1.00 0.00 C ATOM 1558 C LYS A 101 9.995 4.078 -26.317 1.00 0.00 C ATOM 1559 O LYS A 101 9.161 3.239 -26.006 1.00 0.00 O ATOM 1560 CB LYS A 101 11.052 3.581 -28.542 1.00 0.00 C ATOM 1561 CG LYS A 101 12.509 3.639 -28.112 1.00 0.00 C ATOM 1562 CD LYS A 101 13.365 2.680 -28.921 1.00 0.00 C ATOM 1563 CE LYS A 101 14.812 2.686 -28.448 1.00 0.00 C ATOM 1564 NZ LYS A 101 14.932 2.317 -27.014 1.00 0.00 N ATOM 0 H LYS A 101 11.553 5.988 -28.150 1.00 0.00 H new ATOM 0 HA LYS A 101 9.129 4.478 -28.205 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.692 2.559 -28.427 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.988 3.824 -29.603 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.885 4.655 -28.233 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.587 3.394 -27.053 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.959 1.672 -28.840 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.325 2.956 -29.975 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.393 1.989 -29.051 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.240 3.676 -28.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.878 1.925 -26.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.790 3.162 -26.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.212 1.605 -26.777 1.00 0.00 H new ATOM 1578 N THR A 102 10.805 4.636 -25.431 1.00 0.00 N ATOM 1579 CA THR A 102 10.709 4.275 -24.037 1.00 0.00 C ATOM 1580 C THR A 102 11.020 5.449 -23.113 1.00 0.00 C ATOM 1581 O THR A 102 11.793 6.354 -23.448 1.00 0.00 O ATOM 1582 CB THR A 102 11.610 3.056 -23.690 1.00 0.00 C ATOM 1583 OG1 THR A 102 11.460 2.696 -22.311 1.00 0.00 O ATOM 1584 CG2 THR A 102 13.070 3.351 -23.979 1.00 0.00 C ATOM 0 H THR A 102 11.522 5.327 -25.652 1.00 0.00 H new ATOM 0 HA THR A 102 9.671 3.987 -23.869 1.00 0.00 H new ATOM 0 HB THR A 102 11.292 2.224 -24.318 1.00 0.00 H new ATOM 0 HG1 THR A 102 10.538 2.869 -22.026 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.674 2.480 -23.726 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.192 3.582 -25.037 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.394 4.203 -23.382 1.00 0.00 H new ATOM 1592 N VAL A 103 10.392 5.410 -21.962 1.00 0.00 N ATOM 1593 CA VAL A 103 10.552 6.421 -20.932 1.00 0.00 C ATOM 1594 C VAL A 103 10.710 5.798 -19.576 1.00 0.00 C ATOM 1595 O VAL A 103 10.156 4.742 -19.290 1.00 0.00 O ATOM 1596 CB VAL A 103 9.359 7.410 -20.886 1.00 0.00 C ATOM 1597 CG1 VAL A 103 9.294 8.238 -22.150 1.00 0.00 C ATOM 1598 CG2 VAL A 103 8.045 6.674 -20.659 1.00 0.00 C ATOM 0 H VAL A 103 9.744 4.665 -21.706 1.00 0.00 H new ATOM 0 HA VAL A 103 11.455 6.973 -21.193 1.00 0.00 H new ATOM 0 HB VAL A 103 9.519 8.084 -20.044 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.449 8.924 -22.093 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.217 8.808 -22.260 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.170 7.580 -23.010 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.226 7.392 -20.631 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.879 5.966 -21.471 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.088 6.136 -19.712 1.00 0.00 H new ATOM 1608 N THR A 104 11.478 6.446 -18.763 1.00 0.00 N ATOM 1609 CA THR A 104 11.694 6.038 -17.417 1.00 0.00 C ATOM 1610 C THR A 104 11.432 7.232 -16.507 1.00 0.00 C ATOM 1611 O THR A 104 11.986 8.314 -16.720 1.00 0.00 O ATOM 1612 CB THR A 104 13.129 5.525 -17.248 1.00 0.00 C ATOM 1613 OG1 THR A 104 13.335 4.397 -18.121 1.00 0.00 O ATOM 1614 CG2 THR A 104 13.411 5.115 -15.813 1.00 0.00 C ATOM 0 H THR A 104 11.983 7.293 -19.024 1.00 0.00 H new ATOM 0 HA THR A 104 11.017 5.225 -17.153 1.00 0.00 H new ATOM 0 HB THR A 104 13.813 6.334 -17.506 1.00 0.00 H new ATOM 0 HG1 THR A 104 14.252 4.067 -18.018 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.437 4.757 -15.732 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.273 5.973 -15.156 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.725 4.320 -15.520 1.00 0.00 H new ATOM 1622 N ILE A 105 10.597 7.050 -15.515 1.00 0.00 N ATOM 1623 CA ILE A 105 10.210 8.146 -14.651 1.00 0.00 C ATOM 1624 C ILE A 105 10.227 7.712 -13.198 1.00 0.00 C ATOM 1625 O ILE A 105 9.981 6.548 -12.885 1.00 0.00 O ATOM 1626 CB ILE A 105 8.800 8.692 -15.031 1.00 0.00 C ATOM 1627 CG1 ILE A 105 8.414 9.895 -14.152 1.00 0.00 C ATOM 1628 CG2 ILE A 105 7.744 7.593 -14.942 1.00 0.00 C ATOM 1629 CD1 ILE A 105 7.076 10.513 -14.509 1.00 0.00 C ATOM 0 H ILE A 105 10.170 6.154 -15.282 1.00 0.00 H new ATOM 0 HA ILE A 105 10.935 8.948 -14.787 1.00 0.00 H new ATOM 0 HB ILE A 105 8.845 9.034 -16.065 1.00 0.00 H new ATOM 0 HG12 ILE A 105 8.390 9.578 -13.109 1.00 0.00 H new ATOM 0 HG13 ILE A 105 9.189 10.657 -14.236 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.770 8.001 -15.212 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.001 6.785 -15.627 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.706 7.207 -13.923 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.875 11.354 -13.845 1.00 0.00 H new ATOM 0 HD12 ILE A 105 7.101 10.863 -15.541 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.289 9.767 -14.397 1.00 0.00 H new ATOM 1641 N SER A 106 10.529 8.641 -12.326 1.00 0.00 N ATOM 1642 CA SER A 106 10.589 8.363 -10.911 1.00 0.00 C ATOM 1643 C SER A 106 9.788 9.386 -10.117 1.00 0.00 C ATOM 1644 O SER A 106 9.851 10.589 -10.386 1.00 0.00 O ATOM 1645 CB SER A 106 12.041 8.333 -10.436 1.00 0.00 C ATOM 1646 OG SER A 106 12.774 7.323 -11.118 1.00 0.00 O ATOM 0 H SER A 106 10.740 9.608 -12.574 1.00 0.00 H new ATOM 0 HA SER A 106 10.145 7.383 -10.739 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.505 9.304 -10.608 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.073 8.150 -9.362 1.00 0.00 H new ATOM 0 HG SER A 106 12.664 6.468 -10.652 1.00 0.00 H new ATOM 1652 N LYS A 107 9.021 8.899 -9.161 1.00 0.00 N ATOM 1653 CA LYS A 107 8.223 9.747 -8.294 1.00 0.00 C ATOM 1654 C LYS A 107 8.401 9.319 -6.846 1.00 0.00 C ATOM 1655 O LYS A 107 8.637 8.139 -6.572 1.00 0.00 O ATOM 1656 CB LYS A 107 6.736 9.706 -8.690 1.00 0.00 C ATOM 1657 CG LYS A 107 6.393 10.542 -9.922 1.00 0.00 C ATOM 1658 CD LYS A 107 6.700 12.019 -9.692 1.00 0.00 C ATOM 1659 CE LYS A 107 6.299 12.875 -10.884 1.00 0.00 C ATOM 1660 NZ LYS A 107 4.831 12.906 -11.085 1.00 0.00 N ATOM 0 H LYS A 107 8.933 7.902 -8.962 1.00 0.00 H new ATOM 0 HA LYS A 107 8.568 10.775 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.449 8.671 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.138 10.056 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.960 10.180 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.337 10.421 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.173 12.365 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.766 12.142 -9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.665 13.891 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.779 12.489 -11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.593 13.628 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.506 11.975 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.362 13.136 -10.186 1.00 0.00 H new ATOM 1674 N PRO A 108 8.315 10.270 -5.900 1.00 0.00 N ATOM 1675 CA PRO A 108 8.485 9.983 -4.474 1.00 0.00 C ATOM 1676 C PRO A 108 7.478 8.980 -3.947 1.00 0.00 C ATOM 1677 O PRO A 108 6.279 9.093 -4.202 1.00 0.00 O ATOM 1678 CB PRO A 108 8.283 11.346 -3.796 1.00 0.00 C ATOM 1679 CG PRO A 108 8.511 12.349 -4.870 1.00 0.00 C ATOM 1680 CD PRO A 108 8.054 11.702 -6.142 1.00 0.00 C ATOM 0 HA PRO A 108 9.458 9.533 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.279 11.435 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 108 8.983 11.484 -2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.952 13.264 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.564 12.625 -4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 108 6.998 11.893 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 108 8.608 12.073 -7.005 1.00 0.00 H new ATOM 1688 N CYS A 109 7.973 7.986 -3.217 1.00 0.00 N ATOM 1689 CA CYS A 109 7.087 6.997 -2.591 1.00 0.00 C ATOM 1690 C CYS A 109 6.402 7.609 -1.375 1.00 0.00 C ATOM 1691 O CYS A 109 5.403 7.093 -0.876 1.00 0.00 O ATOM 1692 CB CYS A 109 7.859 5.738 -2.192 1.00 0.00 C ATOM 1693 SG CYS A 109 8.643 4.886 -3.593 1.00 0.00 S ATOM 0 H CYS A 109 8.967 7.840 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 109 6.329 6.707 -3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 109 8.627 6.008 -1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 109 7.178 5.048 -1.694 1.00 0.00 H new ATOM 1698 N GLY A 110 6.957 8.709 -0.911 1.00 0.00 N ATOM 1699 CA GLY A 110 6.386 9.435 0.193 1.00 0.00 C ATOM 1700 C GLY A 110 6.139 10.866 -0.202 1.00 0.00 C ATOM 1701 O GLY A 110 5.694 11.123 -1.325 1.00 0.00 O ATOM 0 H GLY A 110 7.811 9.119 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.451 8.968 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.058 9.397 1.050 1.00 0.00 H new