USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 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 46 CYS SG : rot 120:sc= 0.281 USER MOD Set 1.2: A 48 ASN : amide:sc= -0.556 K(o=-9.5,f=-11!) USER MOD Set 1.3: A 49 CYS SG : rot -85:sc= -1.56 USER MOD Set 1.4: A 61 HIS : no HD1:sc= -7! C(o=-9.5!,f=-9.6!) USER MOD Set 1.5: A 65 CYS SG : rot 119:sc= -0.66 USER MOD Set 2.1: A 20 CYS SG : rot -168:sc=-0.00993 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -1.09 USER MOD Set 2.3: A 35 HIS : no HD1:sc= -1.62 X(o=-2.4,f=-2.7) USER MOD Set 2.4: A 39 CYS SG : rot 130:sc= 0.331 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 22 HIS : no HD1:sc= -0.272 X(o=-0.27,f=0.042) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.155) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 52 ASN : amide:sc= -1.07 K(o=-1.1,f=-6.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N LEU A 17 -18.858 -9.257 3.786 1.00 0.00 N ATOM 211 CA LEU A 17 -17.876 -8.217 4.073 1.00 0.00 C ATOM 212 C LEU A 17 -16.514 -8.577 3.489 1.00 0.00 C ATOM 213 O LEU A 17 -16.145 -9.750 3.427 1.00 0.00 O ATOM 214 CB LEU A 17 -17.756 -8.004 5.583 1.00 0.00 C ATOM 215 CG LEU A 17 -19.030 -7.558 6.302 1.00 0.00 C ATOM 216 CD1 LEU A 17 -18.921 -7.822 7.796 1.00 0.00 C ATOM 217 CD2 LEU A 17 -19.303 -6.085 6.037 1.00 0.00 C ATOM 0 HA LEU A 17 -18.217 -7.292 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -17.415 -8.935 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.981 -7.259 5.764 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.866 -8.138 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -19.837 -7.498 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -18.774 -8.888 7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -18.074 -7.269 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -20.213 -5.785 6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -18.465 -5.489 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -19.427 -5.925 4.966 1.00 0.00 H new ATOM 229 N ALA A 18 -15.771 -7.561 3.064 1.00 0.00 N ATOM 230 CA ALA A 18 -14.448 -7.770 2.489 1.00 0.00 C ATOM 231 C ALA A 18 -13.359 -7.211 3.398 1.00 0.00 C ATOM 232 O ALA A 18 -13.604 -6.299 4.188 1.00 0.00 O ATOM 233 CB ALA A 18 -14.365 -7.133 1.110 1.00 0.00 C ATOM 0 H ALA A 18 -16.063 -6.585 3.107 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.287 -8.844 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.371 -7.297 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.112 -7.583 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.552 -6.062 1.192 1.00 0.00 H new ATOM 239 N VAL A 19 -12.156 -7.763 3.282 1.00 0.00 N ATOM 240 CA VAL A 19 -11.029 -7.318 4.094 1.00 0.00 C ATOM 241 C VAL A 19 -9.855 -6.895 3.218 1.00 0.00 C ATOM 242 O VAL A 19 -9.491 -7.589 2.269 1.00 0.00 O ATOM 243 CB VAL A 19 -10.563 -8.424 5.060 1.00 0.00 C ATOM 244 CG1 VAL A 19 -9.453 -7.909 5.964 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.734 -8.942 5.881 1.00 0.00 C ATOM 0 H VAL A 19 -11.936 -8.519 2.634 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.373 -6.461 4.673 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.166 -9.253 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.136 -8.703 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.606 -7.591 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.820 -7.063 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.387 -9.723 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.163 -8.124 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.493 -9.351 5.214 1.00 0.00 H new ATOM 255 N CYS A 20 -9.263 -5.750 3.545 1.00 0.00 N ATOM 256 CA CYS A 20 -8.129 -5.232 2.789 1.00 0.00 C ATOM 257 C CYS A 20 -6.896 -6.108 2.990 1.00 0.00 C ATOM 258 O CYS A 20 -6.819 -6.877 3.948 1.00 0.00 O ATOM 259 CB CYS A 20 -7.822 -3.795 3.213 1.00 0.00 C ATOM 260 SG CYS A 20 -6.706 -2.908 2.078 1.00 0.00 S ATOM 0 H CYS A 20 -9.550 -5.164 4.329 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.392 -5.244 1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.758 -3.242 3.291 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.376 -3.808 4.208 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.304 -1.806 2.638 1.00 0.00 H new ATOM 265 N GLN A 21 -5.935 -5.986 2.080 1.00 0.00 N ATOM 266 CA GLN A 21 -4.706 -6.766 2.158 1.00 0.00 C ATOM 267 C GLN A 21 -3.541 -5.903 2.630 1.00 0.00 C ATOM 268 O GLN A 21 -2.539 -6.414 3.131 1.00 0.00 O ATOM 269 CB GLN A 21 -4.381 -7.381 0.795 1.00 0.00 C ATOM 270 CG GLN A 21 -4.254 -6.357 -0.320 1.00 0.00 C ATOM 271 CD GLN A 21 -3.866 -6.982 -1.646 1.00 0.00 C ATOM 272 OE1 GLN A 21 -3.772 -8.204 -1.765 1.00 0.00 O ATOM 273 NE2 GLN A 21 -3.637 -6.145 -2.651 1.00 0.00 N ATOM 0 H GLN A 21 -5.984 -5.355 1.280 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.858 -7.565 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.448 -7.940 0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.161 -8.096 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.202 -5.831 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.508 -5.613 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.727 -5.139 -2.508 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.371 -6.508 -3.567 1.00 0.00 H new ATOM 282 N HIS A 22 -3.679 -4.591 2.466 1.00 0.00 N ATOM 283 CA HIS A 22 -2.638 -3.656 2.876 1.00 0.00 C ATOM 284 C HIS A 22 -2.705 -3.391 4.377 1.00 0.00 C ATOM 285 O HIS A 22 -1.715 -3.551 5.092 1.00 0.00 O ATOM 286 CB HIS A 22 -2.773 -2.340 2.108 1.00 0.00 C ATOM 287 CG HIS A 22 -2.916 -2.523 0.628 1.00 0.00 C ATOM 288 ND1 HIS A 22 -1.849 -2.783 -0.205 1.00 0.00 N ATOM 289 CD2 HIS A 22 -4.011 -2.483 -0.166 1.00 0.00 C ATOM 290 CE1 HIS A 22 -2.281 -2.893 -1.449 1.00 0.00 C ATOM 291 NE2 HIS A 22 -3.590 -2.717 -1.452 1.00 0.00 N ATOM 0 H HIS A 22 -4.501 -4.152 2.052 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.671 -4.105 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.640 -1.796 2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.898 -1.721 2.307 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.027 -2.301 0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.668 -3.093 -2.316 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.191 -2.750 -2.276 1.00 0.00 H new ATOM 299 N CYS A 23 -3.879 -2.984 4.849 1.00 0.00 N ATOM 300 CA CYS A 23 -4.076 -2.696 6.264 1.00 0.00 C ATOM 301 C CYS A 23 -4.601 -3.925 7.002 1.00 0.00 C ATOM 302 O CYS A 23 -4.362 -4.094 8.198 1.00 0.00 O ATOM 303 CB CYS A 23 -5.050 -1.529 6.438 1.00 0.00 C ATOM 304 SG CYS A 23 -6.718 -1.848 5.780 1.00 0.00 S ATOM 0 H CYS A 23 -4.708 -2.846 4.271 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.111 -2.422 6.691 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.129 -1.291 7.499 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.638 -0.649 5.944 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.468 -0.804 5.975 1.00 0.00 H new ATOM 309 N ASP A 24 -5.318 -4.779 6.280 1.00 0.00 N ATOM 310 CA ASP A 24 -5.876 -5.993 6.864 1.00 0.00 C ATOM 311 C ASP A 24 -6.968 -5.657 7.875 1.00 0.00 C ATOM 312 O ASP A 24 -7.013 -6.224 8.968 1.00 0.00 O ATOM 313 CB ASP A 24 -4.775 -6.813 7.538 1.00 0.00 C ATOM 314 CG ASP A 24 -3.528 -6.921 6.683 1.00 0.00 C ATOM 315 OD1 ASP A 24 -2.808 -5.909 6.553 1.00 0.00 O ATOM 316 OD2 ASP A 24 -3.271 -8.018 6.145 1.00 0.00 O ATOM 0 H ASP A 24 -5.526 -4.653 5.290 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.318 -6.583 6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.518 -6.355 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.151 -7.813 7.754 1.00 0.00 H new ATOM 321 N LEU A 25 -7.846 -4.732 7.504 1.00 0.00 N ATOM 322 CA LEU A 25 -8.939 -4.319 8.378 1.00 0.00 C ATOM 323 C LEU A 25 -10.285 -4.763 7.815 1.00 0.00 C ATOM 324 O LEU A 25 -10.442 -4.912 6.604 1.00 0.00 O ATOM 325 CB LEU A 25 -8.925 -2.801 8.562 1.00 0.00 C ATOM 326 CG LEU A 25 -9.955 -2.234 9.540 1.00 0.00 C ATOM 327 CD1 LEU A 25 -9.468 -2.383 10.973 1.00 0.00 C ATOM 328 CD2 LEU A 25 -10.244 -0.774 9.222 1.00 0.00 C ATOM 0 H LEU A 25 -7.823 -4.253 6.604 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.797 -4.797 9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.932 -2.505 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.083 -2.336 7.589 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.881 -2.799 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.214 -1.974 11.655 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.312 -3.438 11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.529 -1.843 11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.979 -0.387 9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.324 -0.195 9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.636 -0.693 8.208 1.00 0.00 H new ATOM 340 N GLU A 26 -11.253 -4.971 8.702 1.00 0.00 N ATOM 341 CA GLU A 26 -12.586 -5.396 8.292 1.00 0.00 C ATOM 342 C GLU A 26 -13.380 -4.223 7.725 1.00 0.00 C ATOM 343 O GLU A 26 -13.442 -3.151 8.327 1.00 0.00 O ATOM 344 CB GLU A 26 -13.336 -6.009 9.476 1.00 0.00 C ATOM 345 CG GLU A 26 -14.372 -7.044 9.070 1.00 0.00 C ATOM 346 CD GLU A 26 -15.538 -7.113 10.037 1.00 0.00 C ATOM 347 OE1 GLU A 26 -16.358 -6.171 10.048 1.00 0.00 O ATOM 348 OE2 GLU A 26 -15.631 -8.110 10.784 1.00 0.00 O ATOM 0 H GLU A 26 -11.139 -4.852 9.709 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.476 -6.149 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.616 -6.473 10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.829 -5.213 10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.745 -6.808 8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.897 -8.023 9.009 1.00 0.00 H new ATOM 355 N LEU A 27 -13.986 -4.435 6.562 1.00 0.00 N ATOM 356 CA LEU A 27 -14.777 -3.396 5.911 1.00 0.00 C ATOM 357 C LEU A 27 -15.935 -4.005 5.125 1.00 0.00 C ATOM 358 O LEU A 27 -16.076 -5.226 5.055 1.00 0.00 O ATOM 359 CB LEU A 27 -13.895 -2.564 4.979 1.00 0.00 C ATOM 360 CG LEU A 27 -13.067 -1.463 5.643 1.00 0.00 C ATOM 361 CD1 LEU A 27 -11.709 -1.999 6.067 1.00 0.00 C ATOM 362 CD2 LEU A 27 -12.906 -0.277 4.704 1.00 0.00 C ATOM 0 H LEU A 27 -13.945 -5.316 6.050 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.188 -2.749 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.215 -3.238 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.532 -2.106 4.222 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.595 -1.125 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.134 -1.202 6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.845 -2.815 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.173 -2.365 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.314 0.497 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.400 -0.600 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.888 0.123 4.451 1.00 0.00 H new ATOM 374 N SER A 28 -16.759 -3.145 4.534 1.00 0.00 N ATOM 375 CA SER A 28 -17.905 -3.598 3.755 1.00 0.00 C ATOM 376 C SER A 28 -17.475 -4.024 2.354 1.00 0.00 C ATOM 377 O SER A 28 -16.342 -3.778 1.939 1.00 0.00 O ATOM 378 CB SER A 28 -18.956 -2.490 3.663 1.00 0.00 C ATOM 379 OG SER A 28 -20.261 -3.033 3.567 1.00 0.00 O ATOM 0 H SER A 28 -16.654 -2.131 4.580 1.00 0.00 H new ATOM 0 HA SER A 28 -18.339 -4.460 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.890 -1.847 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.754 -1.864 2.794 1.00 0.00 H new ATOM 0 HG SER A 28 -20.915 -2.305 3.511 1.00 0.00 H new ATOM 385 N ILE A 29 -18.387 -4.664 1.631 1.00 0.00 N ATOM 386 CA ILE A 29 -18.104 -5.123 0.277 1.00 0.00 C ATOM 387 C ILE A 29 -18.098 -3.959 -0.708 1.00 0.00 C ATOM 388 O ILE A 29 -17.191 -3.834 -1.533 1.00 0.00 O ATOM 389 CB ILE A 29 -19.133 -6.170 -0.189 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.541 -7.038 -1.302 1.00 0.00 C ATOM 391 CG2 ILE A 29 -20.406 -5.487 -0.664 1.00 0.00 C ATOM 392 CD1 ILE A 29 -17.984 -6.240 -2.460 1.00 0.00 C ATOM 0 H ILE A 29 -19.329 -4.877 1.960 1.00 0.00 H new ATOM 0 HA ILE A 29 -17.116 -5.582 0.299 1.00 0.00 H new ATOM 0 HB ILE A 29 -19.382 -6.813 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -17.748 -7.659 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.312 -7.713 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -21.123 -6.240 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -20.835 -4.908 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.174 -4.823 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.581 -6.920 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.778 -5.639 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.190 -5.584 -2.102 1.00 0.00 H new ATOM 404 N LEU A 30 -19.114 -3.109 -0.617 1.00 0.00 N ATOM 405 CA LEU A 30 -19.225 -1.952 -1.499 1.00 0.00 C ATOM 406 C LEU A 30 -18.328 -0.814 -1.022 1.00 0.00 C ATOM 407 O LEU A 30 -18.131 0.174 -1.729 1.00 0.00 O ATOM 408 CB LEU A 30 -20.677 -1.477 -1.569 1.00 0.00 C ATOM 409 CG LEU A 30 -21.142 -0.570 -0.429 1.00 0.00 C ATOM 410 CD1 LEU A 30 -20.869 -1.223 0.918 1.00 0.00 C ATOM 411 CD2 LEU A 30 -20.459 0.787 -0.514 1.00 0.00 C ATOM 0 H LEU A 30 -19.873 -3.199 0.058 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.899 -2.253 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.820 -0.946 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.324 -2.354 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 30 -22.217 -0.420 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.206 -0.563 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.405 -2.170 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.799 -1.404 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -20.802 1.419 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.379 0.656 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.706 1.260 -1.465 1.00 0.00 H new ATOM 423 N LYS A 31 -17.785 -0.961 0.182 1.00 0.00 N ATOM 424 CA LYS A 31 -16.906 0.051 0.754 1.00 0.00 C ATOM 425 C LYS A 31 -15.443 -0.272 0.465 1.00 0.00 C ATOM 426 O LYS A 31 -14.614 0.628 0.325 1.00 0.00 O ATOM 427 CB LYS A 31 -17.128 0.154 2.265 1.00 0.00 C ATOM 428 CG LYS A 31 -18.475 0.744 2.643 1.00 0.00 C ATOM 429 CD LYS A 31 -18.565 2.214 2.270 1.00 0.00 C ATOM 430 CE LYS A 31 -19.929 2.794 2.612 1.00 0.00 C ATOM 431 NZ LYS A 31 -20.199 2.750 4.076 1.00 0.00 N ATOM 0 H LYS A 31 -17.939 -1.772 0.781 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.146 1.008 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.039 -0.839 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.338 0.767 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.269 0.191 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.635 0.629 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.789 2.772 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.376 2.332 1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.983 3.825 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.703 2.238 2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.035 3.330 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.374 1.767 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.376 3.122 4.592 1.00 0.00 H new ATOM 445 N LEU A 32 -15.134 -1.561 0.376 1.00 0.00 N ATOM 446 CA LEU A 32 -13.771 -2.003 0.102 1.00 0.00 C ATOM 447 C LEU A 32 -13.217 -1.320 -1.144 1.00 0.00 C ATOM 448 O LEU A 32 -12.162 -0.686 -1.101 1.00 0.00 O ATOM 449 CB LEU A 32 -13.733 -3.522 -0.076 1.00 0.00 C ATOM 450 CG LEU A 32 -12.385 -4.116 -0.487 1.00 0.00 C ATOM 451 CD1 LEU A 32 -11.483 -4.285 0.725 1.00 0.00 C ATOM 452 CD2 LEU A 32 -12.583 -5.448 -1.196 1.00 0.00 C ATOM 0 H LEU A 32 -15.808 -2.318 0.489 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.148 -1.727 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.041 -3.985 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.473 -3.798 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.903 -3.426 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.529 -4.709 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.314 -3.314 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.959 -4.953 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.613 -5.856 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.087 -6.145 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.190 -5.298 -2.089 1.00 0.00 H new ATOM 464 N LYS A 33 -13.936 -1.451 -2.253 1.00 0.00 N ATOM 465 CA LYS A 33 -13.519 -0.844 -3.512 1.00 0.00 C ATOM 466 C LYS A 33 -12.913 0.536 -3.276 1.00 0.00 C ATOM 467 O LYS A 33 -11.729 0.755 -3.530 1.00 0.00 O ATOM 468 CB LYS A 33 -14.710 -0.732 -4.467 1.00 0.00 C ATOM 469 CG LYS A 33 -15.199 -2.072 -4.988 1.00 0.00 C ATOM 470 CD LYS A 33 -14.398 -2.526 -6.197 1.00 0.00 C ATOM 471 CE LYS A 33 -15.101 -3.653 -6.940 1.00 0.00 C ATOM 472 NZ LYS A 33 -16.076 -3.135 -7.939 1.00 0.00 N ATOM 0 H LYS A 33 -14.811 -1.972 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.759 -1.484 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.530 -0.230 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.430 -0.103 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.123 -2.820 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.253 -1.997 -5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.246 -1.683 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.411 -2.860 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.360 -4.274 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.619 -4.292 -6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.534 -3.933 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.798 -2.564 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.578 -2.546 -8.637 1.00 0.00 H new ATOM 486 N GLU A 34 -13.732 1.462 -2.787 1.00 0.00 N ATOM 487 CA GLU A 34 -13.274 2.820 -2.516 1.00 0.00 C ATOM 488 C GLU A 34 -12.126 2.816 -1.511 1.00 0.00 C ATOM 489 O GLU A 34 -11.031 3.301 -1.800 1.00 0.00 O ATOM 490 CB GLU A 34 -14.428 3.674 -1.986 1.00 0.00 C ATOM 491 CG GLU A 34 -14.125 5.163 -1.972 1.00 0.00 C ATOM 492 CD GLU A 34 -14.146 5.776 -3.359 1.00 0.00 C ATOM 493 OE1 GLU A 34 -15.083 5.472 -4.127 1.00 0.00 O ATOM 494 OE2 GLU A 34 -13.227 6.560 -3.676 1.00 0.00 O ATOM 0 H GLU A 34 -14.715 1.297 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.914 3.249 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.312 3.497 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.673 3.352 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.855 5.672 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.146 5.327 -1.521 1.00 0.00 H new ATOM 501 N HIS A 35 -12.384 2.267 -0.328 1.00 0.00 N ATOM 502 CA HIS A 35 -11.372 2.200 0.721 1.00 0.00 C ATOM 503 C HIS A 35 -9.995 1.912 0.130 1.00 0.00 C ATOM 504 O HIS A 35 -9.096 2.749 0.194 1.00 0.00 O ATOM 505 CB HIS A 35 -11.737 1.123 1.742 1.00 0.00 C ATOM 506 CG HIS A 35 -10.569 0.638 2.545 1.00 0.00 C ATOM 507 ND1 HIS A 35 -10.138 1.260 3.698 1.00 0.00 N ATOM 508 CD2 HIS A 35 -9.741 -0.416 2.356 1.00 0.00 C ATOM 509 CE1 HIS A 35 -9.095 0.610 4.182 1.00 0.00 C ATOM 510 NE2 HIS A 35 -8.834 -0.411 3.386 1.00 0.00 N ATOM 0 H HIS A 35 -13.285 1.862 -0.072 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.338 3.168 1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.494 1.518 2.419 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.185 0.277 1.221 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.786 -1.128 1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.548 0.869 5.077 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.081 -1.086 3.516 1.00 0.00 H new ATOM 518 N GLU A 36 -9.839 0.723 -0.444 1.00 0.00 N ATOM 519 CA GLU A 36 -8.571 0.326 -1.044 1.00 0.00 C ATOM 520 C GLU A 36 -7.875 1.522 -1.686 1.00 0.00 C ATOM 521 O GLU A 36 -6.733 1.840 -1.355 1.00 0.00 O ATOM 522 CB GLU A 36 -8.797 -0.769 -2.089 1.00 0.00 C ATOM 523 CG GLU A 36 -8.726 -2.176 -1.521 1.00 0.00 C ATOM 524 CD GLU A 36 -8.804 -3.243 -2.595 1.00 0.00 C ATOM 525 OE1 GLU A 36 -9.869 -3.360 -3.238 1.00 0.00 O ATOM 526 OE2 GLU A 36 -7.803 -3.962 -2.794 1.00 0.00 O ATOM 0 H GLU A 36 -10.574 0.019 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.930 -0.063 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.773 -0.622 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.051 -0.666 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.796 -2.293 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.541 -2.319 -0.812 1.00 0.00 H new ATOM 533 N ASP A 37 -8.571 2.180 -2.607 1.00 0.00 N ATOM 534 CA ASP A 37 -8.021 3.341 -3.296 1.00 0.00 C ATOM 535 C ASP A 37 -7.322 4.275 -2.314 1.00 0.00 C ATOM 536 O ASP A 37 -6.204 4.729 -2.561 1.00 0.00 O ATOM 537 CB ASP A 37 -9.128 4.094 -4.035 1.00 0.00 C ATOM 538 CG ASP A 37 -8.586 5.200 -4.919 1.00 0.00 C ATOM 539 OD1 ASP A 37 -8.360 6.315 -4.404 1.00 0.00 O ATOM 540 OD2 ASP A 37 -8.386 4.950 -6.126 1.00 0.00 O ATOM 0 H ASP A 37 -9.517 1.929 -2.893 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.286 2.988 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.697 3.392 -4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.821 4.520 -3.309 1.00 0.00 H new ATOM 545 N TYR A 38 -7.987 4.560 -1.200 1.00 0.00 N ATOM 546 CA TYR A 38 -7.431 5.443 -0.182 1.00 0.00 C ATOM 547 C TYR A 38 -6.294 4.759 0.570 1.00 0.00 C ATOM 548 O TYR A 38 -5.193 5.300 0.681 1.00 0.00 O ATOM 549 CB TYR A 38 -8.522 5.873 0.801 1.00 0.00 C ATOM 550 CG TYR A 38 -8.284 7.236 1.411 1.00 0.00 C ATOM 551 CD1 TYR A 38 -7.094 7.528 2.066 1.00 0.00 C ATOM 552 CD2 TYR A 38 -9.249 8.232 1.332 1.00 0.00 C ATOM 553 CE1 TYR A 38 -6.873 8.771 2.625 1.00 0.00 C ATOM 554 CE2 TYR A 38 -9.036 9.479 1.887 1.00 0.00 C ATOM 555 CZ TYR A 38 -7.847 9.743 2.533 1.00 0.00 C ATOM 556 OH TYR A 38 -7.630 10.984 3.088 1.00 0.00 O ATOM 0 H TYR A 38 -8.912 4.192 -0.979 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.032 6.326 -0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.482 5.877 0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.592 5.134 1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.329 6.770 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.182 8.028 0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.943 8.981 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.796 10.243 1.815 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.413 11.553 2.934 1.00 0.00 H new ATOM 566 N CYS A 39 -6.568 3.566 1.086 1.00 0.00 N ATOM 567 CA CYS A 39 -5.570 2.805 1.828 1.00 0.00 C ATOM 568 C CYS A 39 -4.187 2.969 1.204 1.00 0.00 C ATOM 569 O CYS A 39 -3.240 3.390 1.868 1.00 0.00 O ATOM 570 CB CYS A 39 -5.952 1.324 1.867 1.00 0.00 C ATOM 571 SG CYS A 39 -5.248 0.412 3.278 1.00 0.00 S ATOM 0 H CYS A 39 -7.474 3.105 1.004 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.538 3.192 2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.038 1.241 1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.624 0.851 0.942 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.188 -0.261 3.872 1.00 0.00 H new ATOM 576 N GLY A 40 -4.078 2.633 -0.077 1.00 0.00 N ATOM 577 CA GLY A 40 -2.808 2.749 -0.770 1.00 0.00 C ATOM 578 C GLY A 40 -2.413 4.192 -1.018 1.00 0.00 C ATOM 579 O GLY A 40 -1.227 4.518 -1.065 1.00 0.00 O ATOM 0 H GLY A 40 -4.847 2.282 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.031 2.258 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.868 2.223 -1.723 1.00 0.00 H new ATOM 583 N ALA A 41 -3.409 5.057 -1.178 1.00 0.00 N ATOM 584 CA ALA A 41 -3.159 6.472 -1.422 1.00 0.00 C ATOM 585 C ALA A 41 -2.195 7.046 -0.389 1.00 0.00 C ATOM 586 O ALA A 41 -1.583 8.091 -0.611 1.00 0.00 O ATOM 587 CB ALA A 41 -4.468 7.248 -1.413 1.00 0.00 C ATOM 0 H ALA A 41 -4.396 4.803 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.697 6.570 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.267 8.303 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.125 6.863 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.952 7.134 -0.443 1.00 0.00 H new ATOM 593 N ARG A 42 -2.066 6.356 0.739 1.00 0.00 N ATOM 594 CA ARG A 42 -1.177 6.799 1.807 1.00 0.00 C ATOM 595 C ARG A 42 0.284 6.672 1.386 1.00 0.00 C ATOM 596 O ARG A 42 0.660 5.733 0.684 1.00 0.00 O ATOM 597 CB ARG A 42 -1.426 5.983 3.077 1.00 0.00 C ATOM 598 CG ARG A 42 -2.828 6.145 3.640 1.00 0.00 C ATOM 599 CD ARG A 42 -3.011 5.344 4.920 1.00 0.00 C ATOM 600 NE ARG A 42 -4.391 4.900 5.096 1.00 0.00 N ATOM 601 CZ ARG A 42 -4.887 4.483 6.255 1.00 0.00 C ATOM 602 NH1 ARG A 42 -4.120 4.454 7.336 1.00 0.00 N ATOM 603 NH2 ARG A 42 -6.153 4.095 6.335 1.00 0.00 N ATOM 0 H ARG A 42 -2.565 5.489 0.937 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.388 7.849 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.250 4.929 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.702 6.279 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.022 7.199 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.558 5.820 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.351 4.477 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.715 5.953 5.774 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.008 4.911 4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.146 4.752 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.504 4.133 8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.746 4.117 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.533 3.775 7.226 1.00 0.00 H new ATOM 617 N THR A 43 1.104 7.624 1.820 1.00 0.00 N ATOM 618 CA THR A 43 2.523 7.621 1.487 1.00 0.00 C ATOM 619 C THR A 43 3.381 7.786 2.736 1.00 0.00 C ATOM 620 O THR A 43 3.074 8.599 3.607 1.00 0.00 O ATOM 621 CB THR A 43 2.869 8.741 0.488 1.00 0.00 C ATOM 622 OG1 THR A 43 2.435 10.006 1.001 1.00 0.00 O ATOM 623 CG2 THR A 43 2.215 8.484 -0.861 1.00 0.00 C ATOM 0 H THR A 43 0.809 8.407 2.403 1.00 0.00 H new ATOM 0 HA THR A 43 2.737 6.656 1.027 1.00 0.00 H new ATOM 0 HB THR A 43 3.950 8.756 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.660 10.713 0.361 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.474 9.288 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.569 7.534 -1.262 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.133 8.445 -0.739 1.00 0.00 H new ATOM 631 N GLU A 44 4.458 7.010 2.816 1.00 0.00 N ATOM 632 CA GLU A 44 5.360 7.072 3.960 1.00 0.00 C ATOM 633 C GLU A 44 6.703 7.678 3.562 1.00 0.00 C ATOM 634 O GLU A 44 7.269 7.333 2.523 1.00 0.00 O ATOM 635 CB GLU A 44 5.572 5.675 4.547 1.00 0.00 C ATOM 636 CG GLU A 44 4.394 5.173 5.365 1.00 0.00 C ATOM 637 CD GLU A 44 4.662 3.827 6.009 1.00 0.00 C ATOM 638 OE1 GLU A 44 4.582 2.803 5.300 1.00 0.00 O ATOM 639 OE2 GLU A 44 4.953 3.799 7.223 1.00 0.00 O ATOM 0 H GLU A 44 4.727 6.332 2.103 1.00 0.00 H new ATOM 0 HA GLU A 44 4.903 7.710 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.764 4.974 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.462 5.686 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.158 5.902 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.517 5.096 4.722 1.00 0.00 H new ATOM 646 N LEU A 45 7.207 8.582 4.394 1.00 0.00 N ATOM 647 CA LEU A 45 8.484 9.237 4.129 1.00 0.00 C ATOM 648 C LEU A 45 9.640 8.252 4.269 1.00 0.00 C ATOM 649 O LEU A 45 10.044 7.906 5.380 1.00 0.00 O ATOM 650 CB LEU A 45 8.683 10.414 5.086 1.00 0.00 C ATOM 651 CG LEU A 45 9.515 11.580 4.550 1.00 0.00 C ATOM 652 CD1 LEU A 45 9.349 12.806 5.436 1.00 0.00 C ATOM 653 CD2 LEU A 45 10.982 11.187 4.451 1.00 0.00 C ATOM 0 H LEU A 45 6.752 8.878 5.257 1.00 0.00 H new ATOM 0 HA LEU A 45 8.469 9.608 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.702 10.794 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.157 10.042 5.994 1.00 0.00 H new ATOM 0 HG LEU A 45 9.157 11.828 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.948 13.626 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.300 13.101 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.680 12.571 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.559 12.029 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.353 10.913 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.086 10.338 3.775 1.00 0.00 H new ATOM 665 N CYS A 46 10.172 7.807 3.136 1.00 0.00 N ATOM 666 CA CYS A 46 11.283 6.864 3.130 1.00 0.00 C ATOM 667 C CYS A 46 12.495 7.447 3.851 1.00 0.00 C ATOM 668 O CYS A 46 12.619 8.662 3.996 1.00 0.00 O ATOM 669 CB CYS A 46 11.659 6.494 1.694 1.00 0.00 C ATOM 670 SG CYS A 46 12.669 4.985 1.554 1.00 0.00 S ATOM 0 H CYS A 46 9.851 8.085 2.209 1.00 0.00 H new ATOM 0 HA CYS A 46 10.966 5.965 3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.746 6.362 1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.204 7.326 1.247 1.00 0.00 H new ATOM 0 HG CYS A 46 12.039 4.106 0.832 1.00 0.00 H new ATOM 675 N GLY A 47 13.388 6.570 4.301 1.00 0.00 N ATOM 676 CA GLY A 47 14.578 7.017 5.001 1.00 0.00 C ATOM 677 C GLY A 47 15.806 7.021 4.112 1.00 0.00 C ATOM 678 O GLY A 47 16.743 7.784 4.341 1.00 0.00 O ATOM 0 H GLY A 47 13.308 5.559 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.411 8.022 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.756 6.369 5.859 1.00 0.00 H new ATOM 682 N ASN A 48 15.802 6.165 3.096 1.00 0.00 N ATOM 683 CA ASN A 48 16.925 6.071 2.170 1.00 0.00 C ATOM 684 C ASN A 48 16.973 7.286 1.248 1.00 0.00 C ATOM 685 O ASN A 48 17.984 7.984 1.175 1.00 0.00 O ATOM 686 CB ASN A 48 16.824 4.790 1.340 1.00 0.00 C ATOM 687 CG ASN A 48 17.861 4.734 0.235 1.00 0.00 C ATOM 688 OD1 ASN A 48 17.804 5.503 -0.724 1.00 0.00 O ATOM 689 ND2 ASN A 48 18.815 3.819 0.366 1.00 0.00 N ATOM 0 H ASN A 48 15.033 5.526 2.893 1.00 0.00 H new ATOM 0 HA ASN A 48 17.844 6.044 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.946 3.926 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.828 4.721 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.540 3.733 -0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.822 3.203 1.179 1.00 0.00 H new ATOM 696 N CYS A 49 15.872 7.532 0.546 1.00 0.00 N ATOM 697 CA CYS A 49 15.786 8.661 -0.372 1.00 0.00 C ATOM 698 C CYS A 49 15.223 9.893 0.332 1.00 0.00 C ATOM 699 O CYS A 49 15.856 10.947 0.364 1.00 0.00 O ATOM 700 CB CYS A 49 14.912 8.303 -1.575 1.00 0.00 C ATOM 701 SG CYS A 49 13.454 7.293 -1.159 1.00 0.00 S ATOM 0 H CYS A 49 15.026 6.964 0.596 1.00 0.00 H new ATOM 0 HA CYS A 49 16.793 8.891 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.579 9.223 -2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.518 7.765 -2.304 1.00 0.00 H new ATOM 0 HG CYS A 49 13.790 6.037 -1.131 1.00 0.00 H new ATOM 706 N GLY A 50 14.027 9.750 0.895 1.00 0.00 N ATOM 707 CA GLY A 50 13.398 10.857 1.591 1.00 0.00 C ATOM 708 C GLY A 50 12.191 11.397 0.849 1.00 0.00 C ATOM 709 O GLY A 50 11.890 12.589 0.923 1.00 0.00 O ATOM 0 H GLY A 50 13.483 8.887 0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.093 10.531 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.125 11.657 1.727 1.00 0.00 H new ATOM 713 N ARG A 51 11.498 10.519 0.132 1.00 0.00 N ATOM 714 CA ARG A 51 10.318 10.914 -0.628 1.00 0.00 C ATOM 715 C ARG A 51 9.122 10.038 -0.271 1.00 0.00 C ATOM 716 O ARG A 51 9.227 8.813 -0.233 1.00 0.00 O ATOM 717 CB ARG A 51 10.599 10.825 -2.129 1.00 0.00 C ATOM 718 CG ARG A 51 10.917 9.418 -2.607 1.00 0.00 C ATOM 719 CD ARG A 51 11.472 9.422 -4.023 1.00 0.00 C ATOM 720 NE ARG A 51 12.049 8.131 -4.388 1.00 0.00 N ATOM 721 CZ ARG A 51 12.219 7.730 -5.643 1.00 0.00 C ATOM 722 NH1 ARG A 51 11.858 8.516 -6.648 1.00 0.00 N ATOM 723 NH2 ARG A 51 12.752 6.541 -5.895 1.00 0.00 N ATOM 0 H ARG A 51 11.733 9.529 0.061 1.00 0.00 H new ATOM 0 HA ARG A 51 10.080 11.946 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.732 11.198 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.435 11.480 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.640 8.958 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.015 8.808 -2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.676 9.674 -4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.233 10.197 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 51 12.337 7.503 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.449 9.431 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.990 8.206 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.032 5.934 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.882 6.234 -6.859 1.00 0.00 H new ATOM 737 N ASN A 52 7.985 10.675 -0.009 1.00 0.00 N ATOM 738 CA ASN A 52 6.768 9.953 0.346 1.00 0.00 C ATOM 739 C ASN A 52 6.246 9.150 -0.841 1.00 0.00 C ATOM 740 O ASN A 52 5.731 9.713 -1.807 1.00 0.00 O ATOM 741 CB ASN A 52 5.694 10.929 0.829 1.00 0.00 C ATOM 742 CG ASN A 52 6.182 11.813 1.961 1.00 0.00 C ATOM 743 OD1 ASN A 52 7.362 12.154 2.032 1.00 0.00 O ATOM 744 ND2 ASN A 52 5.272 12.188 2.853 1.00 0.00 N ATOM 0 H ASN A 52 7.881 11.689 -0.036 1.00 0.00 H new ATOM 0 HA ASN A 52 7.008 9.260 1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.374 11.554 -0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.820 10.368 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.541 12.783 3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.304 11.881 2.754 1.00 0.00 H new ATOM 751 N VAL A 53 6.381 7.830 -0.761 1.00 0.00 N ATOM 752 CA VAL A 53 5.921 6.949 -1.828 1.00 0.00 C ATOM 753 C VAL A 53 4.646 6.216 -1.424 1.00 0.00 C ATOM 754 O VAL A 53 4.511 5.763 -0.287 1.00 0.00 O ATOM 755 CB VAL A 53 6.998 5.913 -2.204 1.00 0.00 C ATOM 756 CG1 VAL A 53 6.502 5.008 -3.321 1.00 0.00 C ATOM 757 CG2 VAL A 53 8.289 6.610 -2.605 1.00 0.00 C ATOM 0 H VAL A 53 6.805 7.347 0.031 1.00 0.00 H new ATOM 0 HA VAL A 53 5.716 7.580 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 53 7.202 5.293 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.276 4.283 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.606 4.482 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.268 5.609 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.039 5.864 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.103 7.255 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.652 7.211 -1.772 1.00 0.00 H new ATOM 767 N LEU A 54 3.713 6.104 -2.363 1.00 0.00 N ATOM 768 CA LEU A 54 2.447 5.426 -2.106 1.00 0.00 C ATOM 769 C LEU A 54 2.680 3.973 -1.704 1.00 0.00 C ATOM 770 O LEU A 54 3.520 3.284 -2.283 1.00 0.00 O ATOM 771 CB LEU A 54 1.553 5.487 -3.345 1.00 0.00 C ATOM 772 CG LEU A 54 1.409 6.860 -4.003 1.00 0.00 C ATOM 773 CD1 LEU A 54 1.073 6.712 -5.479 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.346 7.684 -3.291 1.00 0.00 C ATOM 0 H LEU A 54 3.809 6.474 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 54 1.950 5.937 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.946 4.791 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.560 5.133 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 54 2.361 7.384 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.974 7.699 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.869 6.162 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.134 6.169 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.257 8.658 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.611 7.165 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.630 7.820 -2.247 1.00 0.00 H new ATOM 786 N VAL A 55 1.929 3.512 -0.709 1.00 0.00 N ATOM 787 CA VAL A 55 2.050 2.140 -0.231 1.00 0.00 C ATOM 788 C VAL A 55 2.107 1.156 -1.394 1.00 0.00 C ATOM 789 O VAL A 55 3.070 0.402 -1.537 1.00 0.00 O ATOM 790 CB VAL A 55 0.876 1.761 0.692 1.00 0.00 C ATOM 791 CG1 VAL A 55 0.995 0.312 1.139 1.00 0.00 C ATOM 792 CG2 VAL A 55 0.819 2.695 1.891 1.00 0.00 C ATOM 0 H VAL A 55 1.230 4.069 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 55 2.980 2.083 0.335 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.053 1.868 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.157 0.062 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.983 -0.340 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.930 0.174 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.016 2.413 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.750 2.622 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.682 3.720 1.547 1.00 0.00 H new ATOM 802 N LYS A 56 1.070 1.169 -2.223 1.00 0.00 N ATOM 803 CA LYS A 56 1.000 0.280 -3.377 1.00 0.00 C ATOM 804 C LYS A 56 2.356 0.180 -4.069 1.00 0.00 C ATOM 805 O LYS A 56 2.646 -0.806 -4.747 1.00 0.00 O ATOM 806 CB LYS A 56 -0.055 0.776 -4.367 1.00 0.00 C ATOM 807 CG LYS A 56 0.317 2.082 -5.049 1.00 0.00 C ATOM 808 CD LYS A 56 -0.909 2.794 -5.595 1.00 0.00 C ATOM 809 CE LYS A 56 -1.672 3.515 -4.495 1.00 0.00 C ATOM 810 NZ LYS A 56 -3.063 3.846 -4.909 1.00 0.00 N ATOM 0 H LYS A 56 0.265 1.786 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 56 0.718 -0.712 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.215 0.012 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.001 0.907 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.830 2.731 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.016 1.883 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.605 3.511 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.565 2.071 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.698 2.891 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.145 4.431 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.549 4.337 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.039 4.463 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.574 2.970 -5.139 1.00 0.00 H new ATOM 824 N ASP A 57 3.182 1.205 -3.893 1.00 0.00 N ATOM 825 CA ASP A 57 4.508 1.232 -4.499 1.00 0.00 C ATOM 826 C ASP A 57 5.567 0.756 -3.510 1.00 0.00 C ATOM 827 O ASP A 57 6.521 0.073 -3.886 1.00 0.00 O ATOM 828 CB ASP A 57 4.843 2.644 -4.983 1.00 0.00 C ATOM 829 CG ASP A 57 4.104 3.010 -6.255 1.00 0.00 C ATOM 830 OD1 ASP A 57 4.373 2.380 -7.300 1.00 0.00 O ATOM 831 OD2 ASP A 57 3.256 3.925 -6.206 1.00 0.00 O ATOM 0 H ASP A 57 2.957 2.029 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 57 4.503 0.555 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.593 3.362 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.917 2.721 -5.155 1.00 0.00 H new ATOM 836 N LEU A 58 5.394 1.121 -2.244 1.00 0.00 N ATOM 837 CA LEU A 58 6.336 0.732 -1.200 1.00 0.00 C ATOM 838 C LEU A 58 6.827 -0.696 -1.414 1.00 0.00 C ATOM 839 O LEU A 58 7.934 -1.051 -1.007 1.00 0.00 O ATOM 840 CB LEU A 58 5.681 0.857 0.177 1.00 0.00 C ATOM 841 CG LEU A 58 5.832 2.211 0.872 1.00 0.00 C ATOM 842 CD1 LEU A 58 5.139 2.197 2.225 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.303 2.568 1.028 1.00 0.00 C ATOM 0 H LEU A 58 4.610 1.686 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 58 7.194 1.403 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.618 0.642 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.099 0.089 0.827 1.00 0.00 H new ATOM 0 HG LEU A 58 5.357 2.971 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.257 3.169 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.078 1.986 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.584 1.426 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.392 3.534 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.801 1.805 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.771 2.620 0.045 1.00 0.00 H new ATOM 855 N LYS A 59 5.998 -1.511 -2.057 1.00 0.00 N ATOM 856 CA LYS A 59 6.348 -2.900 -2.330 1.00 0.00 C ATOM 857 C LYS A 59 7.488 -2.986 -3.339 1.00 0.00 C ATOM 858 O LYS A 59 8.475 -3.689 -3.120 1.00 0.00 O ATOM 859 CB LYS A 59 5.129 -3.661 -2.855 1.00 0.00 C ATOM 860 CG LYS A 59 5.463 -5.034 -3.413 1.00 0.00 C ATOM 861 CD LYS A 59 5.428 -6.099 -2.331 1.00 0.00 C ATOM 862 CE LYS A 59 6.786 -6.264 -1.666 1.00 0.00 C ATOM 863 NZ LYS A 59 6.718 -7.164 -0.481 1.00 0.00 N ATOM 0 H LYS A 59 5.078 -1.233 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 59 6.678 -3.355 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.405 -3.772 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.649 -3.068 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.754 -5.290 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.452 -5.011 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.684 -5.832 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.116 -7.049 -2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.497 -6.667 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.161 -5.288 -1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.663 -7.251 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.059 -6.767 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.384 -8.103 -0.777 1.00 0.00 H new ATOM 877 N THR A 60 7.348 -2.264 -4.447 1.00 0.00 N ATOM 878 CA THR A 60 8.366 -2.258 -5.490 1.00 0.00 C ATOM 879 C THR A 60 9.118 -0.933 -5.516 1.00 0.00 C ATOM 880 O THR A 60 9.789 -0.607 -6.497 1.00 0.00 O ATOM 881 CB THR A 60 7.749 -2.512 -6.878 1.00 0.00 C ATOM 882 OG1 THR A 60 6.662 -1.608 -7.105 1.00 0.00 O ATOM 883 CG2 THR A 60 7.255 -3.946 -6.997 1.00 0.00 C ATOM 0 H THR A 60 6.539 -1.676 -4.645 1.00 0.00 H new ATOM 0 HA THR A 60 9.062 -3.064 -5.257 1.00 0.00 H new ATOM 0 HB THR A 60 8.521 -2.347 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.277 -1.775 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.823 -4.101 -7.986 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.090 -4.632 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.497 -4.134 -6.237 1.00 0.00 H new ATOM 891 N HIS A 61 9.004 -0.171 -4.433 1.00 0.00 N ATOM 892 CA HIS A 61 9.676 1.120 -4.331 1.00 0.00 C ATOM 893 C HIS A 61 11.174 0.936 -4.105 1.00 0.00 C ATOM 894 O HIS A 61 12.004 1.638 -4.682 1.00 0.00 O ATOM 895 CB HIS A 61 9.074 1.944 -3.194 1.00 0.00 C ATOM 896 CG HIS A 61 9.921 3.109 -2.784 1.00 0.00 C ATOM 897 ND1 HIS A 61 10.094 4.228 -3.572 1.00 0.00 N ATOM 898 CD2 HIS A 61 10.644 3.327 -1.661 1.00 0.00 C ATOM 899 CE1 HIS A 61 10.888 5.082 -2.952 1.00 0.00 C ATOM 900 NE2 HIS A 61 11.236 4.559 -1.790 1.00 0.00 N ATOM 0 H HIS A 61 8.453 -0.425 -3.613 1.00 0.00 H new ATOM 0 HA HIS A 61 9.531 1.653 -5.271 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.093 2.308 -3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.918 1.297 -2.331 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.738 2.656 -0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.200 6.044 -3.331 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.846 4.999 -1.101 1.00 0.00 H new ATOM 908 N PRO A 62 11.529 -0.029 -3.243 1.00 0.00 N ATOM 909 CA PRO A 62 12.927 -0.327 -2.920 1.00 0.00 C ATOM 910 C PRO A 62 13.797 -0.450 -4.167 1.00 0.00 C ATOM 911 O PRO A 62 15.012 -0.266 -4.108 1.00 0.00 O ATOM 912 CB PRO A 62 12.845 -1.670 -2.191 1.00 0.00 C ATOM 913 CG PRO A 62 11.474 -1.700 -1.607 1.00 0.00 C ATOM 914 CD PRO A 62 10.592 -0.904 -2.519 1.00 0.00 C ATOM 0 HA PRO A 62 13.386 0.466 -2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.002 -2.503 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 62 13.607 -1.747 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.114 -2.725 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.473 -1.276 -0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.038 -1.548 -3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.857 -0.326 -1.959 1.00 0.00 H new ATOM 922 N GLU A 63 13.165 -0.763 -5.295 1.00 0.00 N ATOM 923 CA GLU A 63 13.883 -0.911 -6.555 1.00 0.00 C ATOM 924 C GLU A 63 14.450 0.427 -7.019 1.00 0.00 C ATOM 925 O GLU A 63 15.657 0.566 -7.222 1.00 0.00 O ATOM 926 CB GLU A 63 12.957 -1.485 -7.630 1.00 0.00 C ATOM 927 CG GLU A 63 12.562 -2.931 -7.384 1.00 0.00 C ATOM 928 CD GLU A 63 11.866 -3.557 -8.577 1.00 0.00 C ATOM 929 OE1 GLU A 63 11.195 -2.817 -9.327 1.00 0.00 O ATOM 930 OE2 GLU A 63 11.992 -4.786 -8.761 1.00 0.00 O ATOM 0 H GLU A 63 12.159 -0.919 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 63 14.712 -1.600 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.055 -0.875 -7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.450 -1.412 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.453 -3.511 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.904 -2.981 -6.517 1.00 0.00 H new ATOM 937 N VAL A 64 13.571 1.410 -7.185 1.00 0.00 N ATOM 938 CA VAL A 64 13.983 2.738 -7.625 1.00 0.00 C ATOM 939 C VAL A 64 14.406 3.602 -6.441 1.00 0.00 C ATOM 940 O VAL A 64 14.924 4.705 -6.617 1.00 0.00 O ATOM 941 CB VAL A 64 12.853 3.452 -8.389 1.00 0.00 C ATOM 942 CG1 VAL A 64 12.415 2.626 -9.589 1.00 0.00 C ATOM 943 CG2 VAL A 64 11.678 3.730 -7.464 1.00 0.00 C ATOM 0 H VAL A 64 12.569 1.312 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 64 14.833 2.601 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 64 13.231 4.407 -8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.616 3.146 -10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.261 2.484 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.054 1.655 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.888 4.235 -8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.297 2.789 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.005 4.365 -6.641 1.00 0.00 H new ATOM 953 N CYS A 65 14.183 3.093 -5.235 1.00 0.00 N ATOM 954 CA CYS A 65 14.540 3.816 -4.020 1.00 0.00 C ATOM 955 C CYS A 65 16.044 4.065 -3.959 1.00 0.00 C ATOM 956 O CYS A 65 16.822 3.162 -3.653 1.00 0.00 O ATOM 957 CB CYS A 65 14.090 3.034 -2.785 1.00 0.00 C ATOM 958 SG CYS A 65 14.732 3.695 -1.213 1.00 0.00 S ATOM 0 H CYS A 65 13.756 2.181 -5.072 1.00 0.00 H new ATOM 0 HA CYS A 65 14.030 4.779 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.001 3.030 -2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.409 1.997 -2.888 1.00 0.00 H new ATOM 0 HG CYS A 65 13.739 4.065 -0.460 1.00 0.00 H new ATOM 963 N GLY A 66 16.447 5.298 -4.251 1.00 0.00 N ATOM 964 CA GLY A 66 17.856 5.645 -4.223 1.00 0.00 C ATOM 965 C GLY A 66 18.282 6.441 -5.441 1.00 0.00 C ATOM 966 O GLY A 66 18.980 7.448 -5.319 1.00 0.00 O ATOM 0 H GLY A 66 15.823 6.063 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.067 6.223 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.450 4.733 -4.163 1.00 0.00 H new