USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 515 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 60 CYS SG : rot 128:sc= 1.18 USER MOD Set 1.2: A 68 CYS SG : rot 117:sc= -0.248 USER MOD Set 1.3: A 73 CYS SG : rot -95:sc= 0.979 USER MOD Set 1.4: A 77 HIS :FLIP no HD1:sc= -2.36 F(o=-1.2,f=-0.45) USER MOD Set 2.1: A 26 CYS SG : rot 133:sc= 0.215 USER MOD Set 2.2: A 34 CYS SG : rot -150:sc= 0.581 USER MOD Set 2.3: A 41 CYS SG : rot 144:sc= -0.0628 USER MOD Set 2.4: A 45 HIS :FLIP no HD1:sc= -0.0668 F(o=-3.2,f=0.67) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.163 F(o=-1.4,f=-0.16) USER MOD Single : A 30 GLN : amide:sc= -0.0287 X(o=-0.029,f=-0.46) USER MOD Single : A 33 THR OG1 : rot -50:sc= 0.881 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.913 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.704) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -32:sc= -0.412 USER MOD Single : A 51 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.49) USER MOD Single : A 54 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.25) USER MOD Single : A 63 SER OG : rot -60:sc= -0.0793 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0967 K(o=-0.097,f=-1.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00397 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -8.44! C(o=-9.6!,f=-8.4!) USER MOD Single : A 83 LYS NZ :NH3+ -115:sc= 0.474 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.052 K(o=-0.052,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -0.853 7.579 4.935 1.00 0.00 N ATOM 193 CA LEU A 21 -0.326 6.373 4.306 1.00 0.00 C ATOM 194 C LEU A 21 -0.552 5.153 5.194 1.00 0.00 C ATOM 195 O LEU A 21 0.315 4.286 5.309 1.00 0.00 O ATOM 196 CB LEU A 21 1.167 6.537 4.015 1.00 0.00 C ATOM 197 CG LEU A 21 1.536 7.591 2.971 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.990 8.008 3.124 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.274 7.066 1.567 1.00 0.00 C ATOM 0 HA LEU A 21 -0.858 6.220 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.673 6.786 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.560 5.575 3.686 1.00 0.00 H new ATOM 0 HG LEU A 21 0.910 8.468 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.234 8.759 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.146 8.426 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.634 7.139 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.542 7.830 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.874 6.173 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.217 6.819 1.462 1.00 0.00 H new ATOM 211 N THR A 22 -1.724 5.091 5.818 1.00 0.00 N ATOM 212 CA THR A 22 -2.065 3.977 6.695 1.00 0.00 C ATOM 213 C THR A 22 -3.345 3.289 6.236 1.00 0.00 C ATOM 214 O THR A 22 -4.339 3.947 5.926 1.00 0.00 O ATOM 215 CB THR A 22 -2.240 4.443 8.152 1.00 0.00 C ATOM 216 OG1 THR A 22 -1.441 5.607 8.394 1.00 0.00 O ATOM 217 CG2 THR A 22 -1.846 3.340 9.123 1.00 0.00 C ATOM 0 H THR A 22 -2.453 5.799 5.733 1.00 0.00 H new ATOM 0 HA THR A 22 -1.237 3.270 6.645 1.00 0.00 H new ATOM 0 HB THR A 22 -3.291 4.686 8.309 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.559 5.898 9.322 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.978 3.692 10.146 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.476 2.466 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.802 3.071 8.964 1.00 0.00 H new ATOM 225 N LEU A 23 -3.315 1.961 6.195 1.00 0.00 N ATOM 226 CA LEU A 23 -4.475 1.183 5.775 1.00 0.00 C ATOM 227 C LEU A 23 -4.991 0.314 6.917 1.00 0.00 C ATOM 228 O LEU A 23 -4.253 -0.005 7.849 1.00 0.00 O ATOM 229 CB LEU A 23 -4.117 0.306 4.574 1.00 0.00 C ATOM 230 CG LEU A 23 -4.013 1.022 3.227 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.265 0.161 2.221 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.398 1.376 2.703 1.00 0.00 C ATOM 0 H LEU A 23 -2.501 1.401 6.447 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.263 1.879 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.164 -0.183 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.867 -0.481 4.488 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.453 1.946 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.201 0.687 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.260 -0.042 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.797 -0.780 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.305 1.885 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.983 0.465 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.900 2.032 3.415 1.00 0.00 H new ATOM 244 N GLU A 24 -6.262 -0.067 6.837 1.00 0.00 N ATOM 245 CA GLU A 24 -6.876 -0.900 7.865 1.00 0.00 C ATOM 246 C GLU A 24 -6.368 -2.336 7.776 1.00 0.00 C ATOM 247 O GLU A 24 -6.229 -2.891 6.685 1.00 0.00 O ATOM 248 CB GLU A 24 -8.400 -0.877 7.728 1.00 0.00 C ATOM 249 CG GLU A 24 -9.051 0.331 8.379 1.00 0.00 C ATOM 250 CD GLU A 24 -10.558 0.344 8.209 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.204 -0.659 8.577 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.090 1.356 7.708 1.00 0.00 O ATOM 0 H GLU A 24 -6.886 0.188 6.072 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.600 -0.495 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.662 -0.894 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.810 -1.784 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.809 0.341 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.633 1.241 7.948 1.00 0.00 H new ATOM 259 N VAL A 25 -6.090 -2.932 8.931 1.00 0.00 N ATOM 260 CA VAL A 25 -5.598 -4.303 8.985 1.00 0.00 C ATOM 261 C VAL A 25 -6.750 -5.302 8.978 1.00 0.00 C ATOM 262 O VAL A 25 -7.803 -5.056 9.567 1.00 0.00 O ATOM 263 CB VAL A 25 -4.735 -4.541 10.238 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.260 -5.985 10.294 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.555 -3.582 10.262 1.00 0.00 C ATOM 0 H VAL A 25 -6.197 -2.486 9.842 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.985 -4.454 8.096 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.347 -4.351 11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.652 -6.134 11.186 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.122 -6.651 10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.665 -6.207 9.408 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.956 -3.764 11.154 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.941 -3.738 9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.921 -2.555 10.274 1.00 0.00 H new ATOM 275 N CYS A 26 -6.543 -6.430 8.307 1.00 0.00 N ATOM 276 CA CYS A 26 -7.564 -7.468 8.222 1.00 0.00 C ATOM 277 C CYS A 26 -7.752 -8.158 9.570 1.00 0.00 C ATOM 278 O CYS A 26 -6.894 -8.923 10.011 1.00 0.00 O ATOM 279 CB CYS A 26 -7.186 -8.499 7.156 1.00 0.00 C ATOM 280 SG CYS A 26 -8.346 -9.897 7.030 1.00 0.00 S ATOM 0 H CYS A 26 -5.677 -6.649 7.814 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.505 -6.995 7.942 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.128 -8.001 6.188 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.191 -8.885 7.376 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.642 -10.104 5.781 1.00 0.00 H new ATOM 285 N ARG A 27 -8.879 -7.882 10.218 1.00 0.00 N ATOM 286 CA ARG A 27 -9.179 -8.476 11.515 1.00 0.00 C ATOM 287 C ARG A 27 -8.885 -9.973 11.509 1.00 0.00 C ATOM 288 O ARG A 27 -8.145 -10.473 12.356 1.00 0.00 O ATOM 289 CB ARG A 27 -10.643 -8.234 11.884 1.00 0.00 C ATOM 290 CG ARG A 27 -11.206 -6.938 11.324 1.00 0.00 C ATOM 291 CD ARG A 27 -12.250 -6.337 12.252 1.00 0.00 C ATOM 292 NE ARG A 27 -11.660 -5.405 13.210 1.00 0.00 N ATOM 293 CZ ARG A 27 -11.064 -4.271 12.859 1.00 0.00 C ATOM 294 NH1 ARG A 27 -10.979 -3.930 11.581 1.00 0.00 N ATOM 295 NH2 ARG A 27 -10.551 -3.475 13.789 1.00 0.00 N ATOM 0 H ARG A 27 -9.599 -7.251 9.866 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.541 -8.001 12.260 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.243 -9.068 11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.738 -8.222 12.970 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.397 -6.223 11.174 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.651 -7.126 10.347 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.005 -5.819 11.661 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.759 -7.136 12.790 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.708 -5.638 14.202 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.372 -4.539 10.863 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.521 -3.058 11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.614 -3.734 14.774 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.093 -2.604 13.519 1.00 0.00 H new ATOM 309 N GLN A 28 -9.470 -10.682 10.549 1.00 0.00 N ATOM 310 CA GLN A 28 -9.272 -12.122 10.435 1.00 0.00 C ATOM 311 C GLN A 28 -7.788 -12.470 10.454 1.00 0.00 C ATOM 312 O GLN A 28 -7.357 -13.357 11.192 1.00 0.00 O ATOM 313 CB GLN A 28 -9.914 -12.645 9.149 1.00 0.00 C ATOM 314 CG GLN A 28 -11.403 -12.356 9.050 1.00 0.00 C ATOM 315 CD GLN A 28 -12.153 -12.716 10.318 1.00 0.00 C ATOM 316 OE1 GLN A 28 -12.185 -11.790 11.270 1.00 0.00 O flip ATOM 317 NE2 GLN A 28 -12.697 -13.813 10.441 1.00 0.00 N flip ATOM 0 H GLN A 28 -10.085 -10.283 9.839 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.749 -12.599 11.291 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.408 -12.198 8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.757 -13.722 9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.550 -11.298 8.833 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.823 -12.914 8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.647 -14.495 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.198 -14.041 11.300 1.00 0.00 H new ATOM 326 N PHE A 29 -7.009 -11.767 9.639 1.00 0.00 N ATOM 327 CA PHE A 29 -5.572 -12.003 9.562 1.00 0.00 C ATOM 328 C PHE A 29 -4.939 -11.964 10.950 1.00 0.00 C ATOM 329 O PHE A 29 -4.258 -12.904 11.359 1.00 0.00 O ATOM 330 CB PHE A 29 -4.910 -10.960 8.658 1.00 0.00 C ATOM 331 CG PHE A 29 -3.427 -10.845 8.863 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.571 -11.831 8.400 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.888 -9.749 9.517 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.206 -11.728 8.588 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.523 -9.639 9.708 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.681 -10.630 9.242 1.00 0.00 C ATOM 0 H PHE A 29 -7.349 -11.029 9.022 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.414 -12.995 9.138 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.106 -11.216 7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.370 -9.989 8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.975 -12.690 7.886 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.542 -8.971 9.882 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.550 -12.505 8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.116 -8.780 10.221 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.386 -10.547 9.389 1.00 0.00 H new ATOM 346 N GLN A 30 -5.170 -10.870 11.668 1.00 0.00 N ATOM 347 CA GLN A 30 -4.621 -10.708 13.010 1.00 0.00 C ATOM 348 C GLN A 30 -4.865 -11.956 13.852 1.00 0.00 C ATOM 349 O GLN A 30 -3.957 -12.454 14.517 1.00 0.00 O ATOM 350 CB GLN A 30 -5.241 -9.488 13.693 1.00 0.00 C ATOM 351 CG GLN A 30 -4.768 -8.162 13.118 1.00 0.00 C ATOM 352 CD GLN A 30 -3.356 -7.812 13.543 1.00 0.00 C ATOM 353 OE1 GLN A 30 -2.383 -8.314 12.980 1.00 0.00 O ATOM 354 NE2 GLN A 30 -3.236 -6.947 14.543 1.00 0.00 N ATOM 0 H GLN A 30 -5.733 -10.083 11.344 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.545 -10.558 12.920 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.326 -9.546 13.606 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.004 -9.518 14.757 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.816 -8.205 12.030 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.446 -7.370 13.436 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.070 -6.555 14.981 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.310 -6.674 14.873 1.00 0.00 H new ATOM 363 N ARG A 31 -6.096 -12.455 13.818 1.00 0.00 N ATOM 364 CA ARG A 31 -6.459 -13.644 14.580 1.00 0.00 C ATOM 365 C ARG A 31 -5.819 -14.891 13.979 1.00 0.00 C ATOM 366 O ARG A 31 -5.476 -15.832 14.694 1.00 0.00 O ATOM 367 CB ARG A 31 -7.980 -13.806 14.618 1.00 0.00 C ATOM 368 CG ARG A 31 -8.714 -12.562 15.091 1.00 0.00 C ATOM 369 CD ARG A 31 -10.217 -12.784 15.133 1.00 0.00 C ATOM 370 NE ARG A 31 -10.583 -13.884 16.021 1.00 0.00 N ATOM 371 CZ ARG A 31 -11.727 -14.554 15.930 1.00 0.00 C ATOM 372 NH1 ARG A 31 -12.611 -14.237 14.994 1.00 0.00 N ATOM 373 NH2 ARG A 31 -11.988 -15.543 16.775 1.00 0.00 N ATOM 0 H ARG A 31 -6.859 -12.055 13.271 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.088 -13.521 15.597 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.334 -14.069 13.621 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.232 -14.638 15.276 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.358 -12.284 16.083 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.487 -11.729 14.426 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.709 -11.870 15.466 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.581 -12.994 14.127 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.924 -14.153 16.752 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.413 -13.478 14.342 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.489 -14.752 14.926 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.310 -15.790 17.496 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.867 -16.056 16.704 1.00 0.00 H new ATOM 387 N GLY A 32 -5.661 -14.892 12.659 1.00 0.00 N ATOM 388 CA GLY A 32 -5.062 -16.029 11.984 1.00 0.00 C ATOM 389 C GLY A 32 -6.097 -16.933 11.343 1.00 0.00 C ATOM 390 O GLY A 32 -5.951 -18.155 11.344 1.00 0.00 O ATOM 0 H GLY A 32 -5.937 -14.126 12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.372 -15.672 11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.474 -16.604 12.699 1.00 0.00 H new ATOM 394 N THR A 33 -7.147 -16.331 10.793 1.00 0.00 N ATOM 395 CA THR A 33 -8.212 -17.089 10.148 1.00 0.00 C ATOM 396 C THR A 33 -8.588 -16.475 8.805 1.00 0.00 C ATOM 397 O THR A 33 -9.763 -16.424 8.441 1.00 0.00 O ATOM 398 CB THR A 33 -9.468 -17.160 11.037 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.464 -17.977 10.412 1.00 0.00 O ATOM 400 CG2 THR A 33 -10.032 -15.770 11.290 1.00 0.00 C ATOM 0 H THR A 33 -7.283 -15.320 10.781 1.00 0.00 H new ATOM 0 HA THR A 33 -7.831 -18.098 9.989 1.00 0.00 H new ATOM 0 HB THR A 33 -9.185 -17.599 11.993 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.591 -17.686 9.485 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.918 -15.846 11.920 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.282 -15.159 11.791 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.301 -15.308 10.340 1.00 0.00 H new ATOM 408 N CYS A 34 -7.583 -16.011 8.070 1.00 0.00 N ATOM 409 CA CYS A 34 -7.807 -15.400 6.765 1.00 0.00 C ATOM 410 C CYS A 34 -7.140 -16.216 5.661 1.00 0.00 C ATOM 411 O CYS A 34 -5.960 -16.030 5.364 1.00 0.00 O ATOM 412 CB CYS A 34 -7.271 -13.968 6.750 1.00 0.00 C ATOM 413 SG CYS A 34 -7.218 -13.211 5.094 1.00 0.00 S ATOM 0 H CYS A 34 -6.605 -16.046 8.356 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.881 -15.380 6.580 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.893 -13.352 7.400 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.266 -13.963 7.172 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.245 -12.350 5.041 1.00 0.00 H new ATOM 418 N SER A 35 -7.905 -17.120 5.057 1.00 0.00 N ATOM 419 CA SER A 35 -7.388 -17.967 3.988 1.00 0.00 C ATOM 420 C SER A 35 -7.532 -17.280 2.633 1.00 0.00 C ATOM 421 O SER A 35 -7.850 -17.920 1.631 1.00 0.00 O ATOM 422 CB SER A 35 -8.122 -19.309 3.972 1.00 0.00 C ATOM 423 OG SER A 35 -8.002 -19.971 5.220 1.00 0.00 O ATOM 0 H SER A 35 -8.884 -17.285 5.289 1.00 0.00 H new ATOM 0 HA SER A 35 -6.329 -18.142 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.175 -19.148 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.716 -19.940 3.182 1.00 0.00 H new ATOM 0 HG SER A 35 -8.481 -20.825 5.185 1.00 0.00 H new ATOM 429 N ARG A 36 -7.295 -15.972 2.612 1.00 0.00 N ATOM 430 CA ARG A 36 -7.398 -15.197 1.381 1.00 0.00 C ATOM 431 C ARG A 36 -6.048 -14.594 1.003 1.00 0.00 C ATOM 432 O ARG A 36 -5.353 -14.027 1.846 1.00 0.00 O ATOM 433 CB ARG A 36 -8.439 -14.087 1.539 1.00 0.00 C ATOM 434 CG ARG A 36 -9.842 -14.602 1.813 1.00 0.00 C ATOM 435 CD ARG A 36 -10.878 -13.497 1.674 1.00 0.00 C ATOM 436 NE ARG A 36 -12.122 -13.823 2.365 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.055 -14.624 1.862 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.885 -15.178 0.670 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.161 -14.872 2.553 1.00 0.00 N ATOM 0 H ARG A 36 -7.031 -15.427 3.433 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.712 -15.869 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.136 -13.430 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.454 -13.483 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.076 -15.411 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.887 -15.020 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.473 -12.568 2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.085 -13.325 0.618 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.284 -13.413 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.036 -14.990 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.603 -15.793 0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.295 -14.447 3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.877 -15.487 2.166 1.00 0.00 H new ATOM 453 N SER A 37 -5.684 -14.722 -0.269 1.00 0.00 N ATOM 454 CA SER A 37 -4.416 -14.194 -0.757 1.00 0.00 C ATOM 455 C SER A 37 -4.448 -12.670 -0.815 1.00 0.00 C ATOM 456 O SER A 37 -5.495 -12.053 -0.619 1.00 0.00 O ATOM 457 CB SER A 37 -4.103 -14.762 -2.143 1.00 0.00 C ATOM 458 OG SER A 37 -4.870 -14.116 -3.144 1.00 0.00 O ATOM 0 H SER A 37 -6.249 -15.187 -0.980 1.00 0.00 H new ATOM 0 HA SER A 37 -3.633 -14.497 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.041 -14.640 -2.358 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.310 -15.832 -2.156 1.00 0.00 H new ATOM 0 HG SER A 37 -4.650 -14.496 -4.020 1.00 0.00 H new ATOM 464 N ASP A 38 -3.295 -12.070 -1.086 1.00 0.00 N ATOM 465 CA ASP A 38 -3.189 -10.618 -1.171 1.00 0.00 C ATOM 466 C ASP A 38 -4.171 -10.061 -2.198 1.00 0.00 C ATOM 467 O ASP A 38 -4.789 -9.020 -1.978 1.00 0.00 O ATOM 468 CB ASP A 38 -1.762 -10.209 -1.538 1.00 0.00 C ATOM 469 CG ASP A 38 -1.243 -10.949 -2.756 1.00 0.00 C ATOM 470 OD1 ASP A 38 -0.662 -12.041 -2.583 1.00 0.00 O ATOM 471 OD2 ASP A 38 -1.416 -10.436 -3.881 1.00 0.00 O ATOM 0 H ASP A 38 -2.420 -12.567 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.437 -10.203 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.732 -9.136 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.103 -10.401 -0.691 1.00 0.00 H new ATOM 476 N GLU A 39 -4.307 -10.762 -3.319 1.00 0.00 N ATOM 477 CA GLU A 39 -5.213 -10.336 -4.380 1.00 0.00 C ATOM 478 C GLU A 39 -6.607 -10.921 -4.174 1.00 0.00 C ATOM 479 O GLU A 39 -7.506 -10.707 -4.985 1.00 0.00 O ATOM 480 CB GLU A 39 -4.667 -10.757 -5.746 1.00 0.00 C ATOM 481 CG GLU A 39 -5.228 -9.946 -6.902 1.00 0.00 C ATOM 482 CD GLU A 39 -4.917 -10.562 -8.252 1.00 0.00 C ATOM 483 OE1 GLU A 39 -4.645 -11.780 -8.299 1.00 0.00 O ATOM 484 OE2 GLU A 39 -4.946 -9.827 -9.261 1.00 0.00 O ATOM 0 H GLU A 39 -3.802 -11.626 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.286 -9.249 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.581 -10.661 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.893 -11.811 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.308 -9.857 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.819 -8.936 -6.865 1.00 0.00 H new ATOM 491 N GLU A 40 -6.776 -11.661 -3.083 1.00 0.00 N ATOM 492 CA GLU A 40 -8.059 -12.279 -2.771 1.00 0.00 C ATOM 493 C GLU A 40 -8.809 -11.472 -1.715 1.00 0.00 C ATOM 494 O GLU A 40 -10.021 -11.278 -1.809 1.00 0.00 O ATOM 495 CB GLU A 40 -7.854 -13.714 -2.281 1.00 0.00 C ATOM 496 CG GLU A 40 -9.124 -14.549 -2.294 1.00 0.00 C ATOM 497 CD GLU A 40 -8.855 -16.023 -2.065 1.00 0.00 C ATOM 498 OE1 GLU A 40 -7.739 -16.481 -2.389 1.00 0.00 O ATOM 499 OE2 GLU A 40 -9.761 -16.720 -1.562 1.00 0.00 O ATOM 0 H GLU A 40 -6.041 -11.847 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.656 -12.296 -3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.104 -14.199 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.456 -13.689 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.803 -14.183 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.629 -14.420 -3.251 1.00 0.00 H new ATOM 506 N CYS A 41 -8.079 -11.003 -0.708 1.00 0.00 N ATOM 507 CA CYS A 41 -8.673 -10.218 0.368 1.00 0.00 C ATOM 508 C CYS A 41 -8.639 -8.729 0.036 1.00 0.00 C ATOM 509 O CYS A 41 -7.715 -8.248 -0.619 1.00 0.00 O ATOM 510 CB CYS A 41 -7.935 -10.476 1.683 1.00 0.00 C ATOM 511 SG CYS A 41 -8.980 -10.311 3.166 1.00 0.00 S ATOM 0 H CYS A 41 -7.074 -11.153 -0.615 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.713 -10.525 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.512 -11.480 1.659 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.099 -9.780 1.761 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.622 -11.195 4.050 1.00 0.00 H new ATOM 516 N LYS A 42 -9.654 -8.004 0.494 1.00 0.00 N ATOM 517 CA LYS A 42 -9.742 -6.569 0.248 1.00 0.00 C ATOM 518 C LYS A 42 -9.053 -5.784 1.360 1.00 0.00 C ATOM 519 O LYS A 42 -9.272 -4.582 1.513 1.00 0.00 O ATOM 520 CB LYS A 42 -11.206 -6.139 0.138 1.00 0.00 C ATOM 521 CG LYS A 42 -11.932 -6.102 1.472 1.00 0.00 C ATOM 522 CD LYS A 42 -13.340 -5.549 1.325 1.00 0.00 C ATOM 523 CE LYS A 42 -14.347 -6.655 1.051 1.00 0.00 C ATOM 524 NZ LYS A 42 -14.456 -6.958 -0.403 1.00 0.00 N ATOM 0 H LYS A 42 -10.428 -8.387 1.038 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.235 -6.355 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.252 -5.150 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.728 -6.824 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.977 -7.107 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.370 -5.488 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.620 -5.018 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.364 -4.824 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.052 -7.556 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.324 -6.360 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.396 -7.354 -0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.323 -6.084 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.725 -7.648 -0.670 1.00 0.00 H new ATOM 538 N PHE A 43 -8.218 -6.471 2.133 1.00 0.00 N ATOM 539 CA PHE A 43 -7.496 -5.837 3.230 1.00 0.00 C ATOM 540 C PHE A 43 -5.997 -6.096 3.116 1.00 0.00 C ATOM 541 O PHE A 43 -5.557 -6.915 2.309 1.00 0.00 O ATOM 542 CB PHE A 43 -8.013 -6.353 4.574 1.00 0.00 C ATOM 543 CG PHE A 43 -9.351 -5.789 4.958 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.499 -6.172 4.284 1.00 0.00 C ATOM 545 CD2 PHE A 43 -9.461 -4.874 5.994 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.732 -5.654 4.635 1.00 0.00 C ATOM 547 CE2 PHE A 43 -10.691 -4.354 6.350 1.00 0.00 C ATOM 548 CZ PHE A 43 -11.827 -4.744 5.669 1.00 0.00 C ATOM 0 H PHE A 43 -8.025 -7.466 2.020 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.667 -4.762 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.084 -7.440 4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.288 -6.109 5.351 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.430 -6.884 3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.575 -4.564 6.529 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.619 -5.961 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.764 -3.643 7.160 1.00 0.00 H new ATOM 0 HZ PHE A 43 -12.789 -4.338 5.945 1.00 0.00 H new ATOM 558 N ALA A 44 -5.217 -5.392 3.930 1.00 0.00 N ATOM 559 CA ALA A 44 -3.767 -5.546 3.922 1.00 0.00 C ATOM 560 C ALA A 44 -3.309 -6.480 5.037 1.00 0.00 C ATOM 561 O ALA A 44 -3.778 -6.386 6.171 1.00 0.00 O ATOM 562 CB ALA A 44 -3.092 -4.189 4.056 1.00 0.00 C ATOM 0 H ALA A 44 -5.565 -4.709 4.603 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.478 -5.991 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.010 -4.319 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.387 -3.552 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.395 -3.723 4.993 1.00 0.00 H new ATOM 568 N HIS A 45 -2.389 -7.381 4.706 1.00 0.00 N ATOM 569 CA HIS A 45 -1.866 -8.332 5.681 1.00 0.00 C ATOM 570 C HIS A 45 -0.359 -8.166 5.848 1.00 0.00 C ATOM 571 O HIS A 45 0.440 -8.754 5.119 1.00 0.00 O ATOM 572 CB HIS A 45 -2.189 -9.764 5.250 1.00 0.00 C ATOM 573 CG HIS A 45 -3.609 -9.952 4.813 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.721 -9.229 5.081 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -4.015 -10.990 4.000 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.768 -9.836 4.431 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.315 -10.896 3.786 1.00 0.00 N flip ATOM 0 H HIS A 45 -1.991 -7.473 3.771 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.344 -8.132 6.640 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.526 -10.047 4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.980 -10.440 6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.371 -11.759 3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.795 -9.501 4.445 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.874 -11.534 3.219 1.00 0.00 H new ATOM 585 N PRO A 46 0.041 -7.346 6.831 1.00 0.00 N ATOM 586 CA PRO A 46 1.454 -7.083 7.117 1.00 0.00 C ATOM 587 C PRO A 46 2.161 -8.298 7.710 1.00 0.00 C ATOM 588 O PRO A 46 1.690 -8.916 8.664 1.00 0.00 O ATOM 589 CB PRO A 46 1.404 -5.944 8.138 1.00 0.00 C ATOM 590 CG PRO A 46 0.075 -6.082 8.795 1.00 0.00 C ATOM 591 CD PRO A 46 -0.856 -6.612 7.740 1.00 0.00 C ATOM 0 HA PRO A 46 2.014 -6.840 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.214 -6.026 8.863 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.507 -4.973 7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.129 -6.762 9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.273 -5.122 9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.617 -7.265 8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.379 -5.807 7.225 1.00 0.00 H new ATOM 599 N PRO A 47 3.320 -8.649 7.132 1.00 0.00 N ATOM 600 CA PRO A 47 4.117 -9.792 7.588 1.00 0.00 C ATOM 601 C PRO A 47 4.757 -9.546 8.950 1.00 0.00 C ATOM 602 O PRO A 47 4.885 -8.403 9.390 1.00 0.00 O ATOM 603 CB PRO A 47 5.193 -9.927 6.507 1.00 0.00 C ATOM 604 CG PRO A 47 5.316 -8.563 5.922 1.00 0.00 C ATOM 605 CD PRO A 47 3.941 -7.958 5.990 1.00 0.00 C ATOM 0 HA PRO A 47 3.509 -10.687 7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.140 -10.263 6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.905 -10.657 5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.035 -7.962 6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.671 -8.610 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.984 -6.880 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.383 -8.124 5.068 1.00 0.00 H new ATOM 613 N LYS A 48 5.159 -10.625 9.613 1.00 0.00 N ATOM 614 CA LYS A 48 5.788 -10.527 10.925 1.00 0.00 C ATOM 615 C LYS A 48 6.936 -9.523 10.904 1.00 0.00 C ATOM 616 O LYS A 48 7.145 -8.784 11.866 1.00 0.00 O ATOM 617 CB LYS A 48 6.303 -11.898 11.369 1.00 0.00 C ATOM 618 CG LYS A 48 5.207 -12.835 11.844 1.00 0.00 C ATOM 619 CD LYS A 48 5.034 -12.772 13.353 1.00 0.00 C ATOM 620 CE LYS A 48 3.929 -11.805 13.748 1.00 0.00 C ATOM 621 NZ LYS A 48 4.101 -11.304 15.139 1.00 0.00 N ATOM 0 H LYS A 48 5.060 -11.578 9.263 1.00 0.00 H new ATOM 0 HA LYS A 48 5.038 -10.180 11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.833 -12.364 10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.027 -11.762 12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.267 -12.573 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.446 -13.856 11.547 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.803 -13.766 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.972 -12.463 13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.920 -10.962 13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.963 -12.301 13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.328 -10.648 15.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.084 -12.106 15.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.012 -10.808 15.219 1.00 0.00 H new ATOM 635 N SER A 49 7.677 -9.501 9.800 1.00 0.00 N ATOM 636 CA SER A 49 8.806 -8.589 9.655 1.00 0.00 C ATOM 637 C SER A 49 8.336 -7.137 9.667 1.00 0.00 C ATOM 638 O SER A 49 9.015 -6.258 10.199 1.00 0.00 O ATOM 639 CB SER A 49 9.562 -8.881 8.358 1.00 0.00 C ATOM 640 OG SER A 49 10.393 -10.020 8.498 1.00 0.00 O ATOM 0 H SER A 49 7.516 -10.104 8.993 1.00 0.00 H new ATOM 0 HA SER A 49 9.477 -8.743 10.500 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.851 -9.043 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.167 -8.017 8.084 1.00 0.00 H new ATOM 0 HG SER A 49 10.864 -10.187 7.655 1.00 0.00 H new ATOM 646 N CYS A 50 7.171 -6.894 9.078 1.00 0.00 N ATOM 647 CA CYS A 50 6.609 -5.549 9.019 1.00 0.00 C ATOM 648 C CYS A 50 5.897 -5.200 10.322 1.00 0.00 C ATOM 649 O CYS A 50 5.246 -6.049 10.931 1.00 0.00 O ATOM 650 CB CYS A 50 5.636 -5.431 7.845 1.00 0.00 C ATOM 651 SG CYS A 50 6.440 -5.329 6.228 1.00 0.00 S ATOM 0 H CYS A 50 6.597 -7.611 8.634 1.00 0.00 H new ATOM 0 HA CYS A 50 7.429 -4.845 8.874 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.968 -6.292 7.853 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.017 -4.545 7.988 1.00 0.00 H new ATOM 0 HG CYS A 50 7.583 -4.722 6.349 1.00 0.00 H new ATOM 657 N GLN A 51 6.027 -3.946 10.744 1.00 0.00 N ATOM 658 CA GLN A 51 5.398 -3.486 11.976 1.00 0.00 C ATOM 659 C GLN A 51 3.891 -3.333 11.793 1.00 0.00 C ATOM 660 O GLN A 51 3.386 -3.353 10.671 1.00 0.00 O ATOM 661 CB GLN A 51 6.008 -2.156 12.419 1.00 0.00 C ATOM 662 CG GLN A 51 7.272 -2.313 13.249 1.00 0.00 C ATOM 663 CD GLN A 51 7.128 -3.355 14.341 1.00 0.00 C ATOM 664 OE1 GLN A 51 6.322 -3.201 15.259 1.00 0.00 O ATOM 665 NE2 GLN A 51 7.910 -4.423 14.247 1.00 0.00 N ATOM 0 H GLN A 51 6.562 -3.231 10.251 1.00 0.00 H new ATOM 0 HA GLN A 51 5.578 -4.234 12.748 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.235 -1.558 11.536 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.269 -1.602 12.998 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.099 -2.589 12.595 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.528 -1.354 13.699 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.564 -4.509 13.469 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.857 -5.157 14.953 1.00 0.00 H new ATOM 674 N VAL A 52 3.178 -3.179 12.904 1.00 0.00 N ATOM 675 CA VAL A 52 1.729 -3.021 12.867 1.00 0.00 C ATOM 676 C VAL A 52 1.260 -2.003 13.900 1.00 0.00 C ATOM 677 O VAL A 52 1.587 -2.109 15.082 1.00 0.00 O ATOM 678 CB VAL A 52 1.012 -4.360 13.120 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.497 -4.167 13.120 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.425 -5.391 12.080 1.00 0.00 C ATOM 0 H VAL A 52 3.580 -3.160 13.841 1.00 0.00 H new ATOM 0 HA VAL A 52 1.475 -2.664 11.869 1.00 0.00 H new ATOM 0 HB VAL A 52 1.307 -4.729 14.102 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.986 -5.124 13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.774 -3.464 13.906 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.814 -3.774 12.154 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.909 -6.331 12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.161 -5.031 11.086 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.502 -5.551 12.134 1.00 0.00 H new ATOM 690 N GLU A 53 0.493 -1.017 13.446 1.00 0.00 N ATOM 691 CA GLU A 53 -0.021 0.020 14.333 1.00 0.00 C ATOM 692 C GLU A 53 -1.270 -0.459 15.066 1.00 0.00 C ATOM 693 O GLU A 53 -1.834 -1.501 14.736 1.00 0.00 O ATOM 694 CB GLU A 53 -0.338 1.290 13.539 1.00 0.00 C ATOM 695 CG GLU A 53 0.891 1.959 12.945 1.00 0.00 C ATOM 696 CD GLU A 53 1.717 2.689 13.986 1.00 0.00 C ATOM 697 OE1 GLU A 53 1.122 3.266 14.920 1.00 0.00 O ATOM 698 OE2 GLU A 53 2.960 2.682 13.867 1.00 0.00 O ATOM 0 H GLU A 53 0.214 -0.914 12.470 1.00 0.00 H new ATOM 0 HA GLU A 53 0.749 0.244 15.072 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.031 1.042 12.735 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.848 1.999 14.192 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.510 1.206 12.458 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.580 2.664 12.174 1.00 0.00 H new ATOM 705 N ASN A 54 -1.696 0.310 16.063 1.00 0.00 N ATOM 706 CA ASN A 54 -2.877 -0.037 16.844 1.00 0.00 C ATOM 707 C ASN A 54 -4.076 -0.291 15.935 1.00 0.00 C ATOM 708 O ASN A 54 -4.639 0.639 15.359 1.00 0.00 O ATOM 709 CB ASN A 54 -3.204 1.081 17.837 1.00 0.00 C ATOM 710 CG ASN A 54 -2.012 1.457 18.697 1.00 0.00 C ATOM 711 OD1 ASN A 54 -1.269 0.592 19.159 1.00 0.00 O ATOM 712 ND2 ASN A 54 -1.826 2.754 18.915 1.00 0.00 N ATOM 0 H ASN A 54 -1.241 1.177 16.349 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.661 -0.952 17.395 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.546 1.960 17.291 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.026 0.764 18.479 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.041 3.068 19.486 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.468 3.436 18.511 1.00 0.00 H new ATOM 719 N GLY A 55 -4.460 -1.558 15.811 1.00 0.00 N ATOM 720 CA GLY A 55 -5.589 -1.911 14.971 1.00 0.00 C ATOM 721 C GLY A 55 -5.443 -1.392 13.555 1.00 0.00 C ATOM 722 O GLY A 55 -6.421 -1.316 12.810 1.00 0.00 O ATOM 0 H GLY A 55 -4.009 -2.346 16.277 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.696 -2.996 14.948 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.503 -1.510 15.409 1.00 0.00 H new ATOM 726 N ARG A 56 -4.220 -1.032 13.181 1.00 0.00 N ATOM 727 CA ARG A 56 -3.950 -0.514 11.845 1.00 0.00 C ATOM 728 C ARG A 56 -2.489 -0.732 11.463 1.00 0.00 C ATOM 729 O ARG A 56 -1.667 -1.112 12.297 1.00 0.00 O ATOM 730 CB ARG A 56 -4.290 0.975 11.774 1.00 0.00 C ATOM 731 CG ARG A 56 -4.800 1.419 10.413 1.00 0.00 C ATOM 732 CD ARG A 56 -5.248 2.872 10.432 1.00 0.00 C ATOM 733 NE ARG A 56 -6.519 3.044 11.130 1.00 0.00 N ATOM 734 CZ ARG A 56 -6.617 3.257 12.438 1.00 0.00 C ATOM 735 NH1 ARG A 56 -5.525 3.325 13.185 1.00 0.00 N ATOM 736 NH2 ARG A 56 -7.810 3.404 13.000 1.00 0.00 N ATOM 0 H ARG A 56 -3.400 -1.089 13.785 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.578 -1.057 11.138 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.044 1.203 12.527 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.402 1.554 12.026 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.014 1.289 9.669 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.633 0.784 10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.484 3.481 10.915 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.344 3.235 9.409 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.379 2.998 10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.606 3.214 12.756 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.603 3.489 14.189 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.653 3.354 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.884 3.567 14.004 1.00 0.00 H new ATOM 750 N VAL A 57 -2.172 -0.489 10.195 1.00 0.00 N ATOM 751 CA VAL A 57 -0.810 -0.658 9.701 1.00 0.00 C ATOM 752 C VAL A 57 -0.473 0.391 8.648 1.00 0.00 C ATOM 753 O VAL A 57 -1.341 0.824 7.888 1.00 0.00 O ATOM 754 CB VAL A 57 -0.602 -2.060 9.098 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.544 -2.282 7.924 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.847 -2.246 8.672 1.00 0.00 C ATOM 0 H VAL A 57 -2.840 -0.174 9.491 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.146 -0.536 10.556 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.831 -2.803 9.862 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.382 -3.278 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.576 -2.193 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.349 -1.534 7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.977 -3.242 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.105 -1.497 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.498 -2.133 9.539 1.00 0.00 H new ATOM 766 N ILE A 58 0.791 0.797 8.609 1.00 0.00 N ATOM 767 CA ILE A 58 1.243 1.795 7.647 1.00 0.00 C ATOM 768 C ILE A 58 1.741 1.137 6.365 1.00 0.00 C ATOM 769 O ILE A 58 2.383 0.088 6.402 1.00 0.00 O ATOM 770 CB ILE A 58 2.367 2.671 8.231 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.921 3.295 9.555 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.767 3.751 7.238 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.047 3.954 10.322 1.00 0.00 C ATOM 0 H ILE A 58 1.521 0.451 9.232 1.00 0.00 H new ATOM 0 HA ILE A 58 0.383 2.425 7.419 1.00 0.00 H new ATOM 0 HB ILE A 58 3.236 2.042 8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.146 4.035 9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.471 2.522 10.178 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.562 4.362 7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.121 3.286 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.905 4.380 7.018 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.658 4.375 11.249 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.813 3.213 10.553 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.482 4.750 9.717 1.00 0.00 H new ATOM 785 N ALA A 59 1.442 1.763 5.231 1.00 0.00 N ATOM 786 CA ALA A 59 1.862 1.241 3.937 1.00 0.00 C ATOM 787 C ALA A 59 3.189 1.853 3.502 1.00 0.00 C ATOM 788 O ALA A 59 3.488 3.004 3.822 1.00 0.00 O ATOM 789 CB ALA A 59 0.790 1.501 2.889 1.00 0.00 C ATOM 0 H ALA A 59 0.910 2.632 5.183 1.00 0.00 H new ATOM 0 HA ALA A 59 2.004 0.165 4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.118 1.106 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.136 1.010 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.620 2.574 2.801 1.00 0.00 H new ATOM 795 N CYS A 60 3.983 1.077 2.771 1.00 0.00 N ATOM 796 CA CYS A 60 5.279 1.543 2.293 1.00 0.00 C ATOM 797 C CYS A 60 5.111 2.539 1.150 1.00 0.00 C ATOM 798 O CYS A 60 4.174 2.439 0.357 1.00 0.00 O ATOM 799 CB CYS A 60 6.131 0.359 1.832 1.00 0.00 C ATOM 800 SG CYS A 60 7.835 0.805 1.367 1.00 0.00 S ATOM 0 H CYS A 60 3.751 0.122 2.497 1.00 0.00 H new ATOM 0 HA CYS A 60 5.784 2.046 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.166 -0.382 2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.645 -0.114 0.979 1.00 0.00 H new ATOM 0 HG CYS A 60 8.672 0.037 1.999 1.00 0.00 H new ATOM 805 N PHE A 61 6.026 3.500 1.070 1.00 0.00 N ATOM 806 CA PHE A 61 5.980 4.515 0.025 1.00 0.00 C ATOM 807 C PHE A 61 6.465 3.947 -1.306 1.00 0.00 C ATOM 808 O PHE A 61 5.760 4.008 -2.313 1.00 0.00 O ATOM 809 CB PHE A 61 6.833 5.722 0.418 1.00 0.00 C ATOM 810 CG PHE A 61 7.035 6.704 -0.700 1.00 0.00 C ATOM 811 CD1 PHE A 61 6.059 7.641 -1.002 1.00 0.00 C ATOM 812 CD2 PHE A 61 8.200 6.690 -1.450 1.00 0.00 C ATOM 813 CE1 PHE A 61 6.242 8.546 -2.030 1.00 0.00 C ATOM 814 CE2 PHE A 61 8.388 7.593 -2.479 1.00 0.00 C ATOM 815 CZ PHE A 61 7.407 8.522 -2.771 1.00 0.00 C ATOM 0 H PHE A 61 6.809 3.597 1.717 1.00 0.00 H new ATOM 0 HA PHE A 61 4.944 4.834 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.361 6.232 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.806 5.372 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.145 7.664 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.970 5.965 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.474 9.272 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.301 7.573 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.551 9.227 -3.576 1.00 0.00 H new ATOM 825 N ASP A 62 7.674 3.397 -1.302 1.00 0.00 N ATOM 826 CA ASP A 62 8.255 2.818 -2.508 1.00 0.00 C ATOM 827 C ASP A 62 7.337 1.750 -3.094 1.00 0.00 C ATOM 828 O ASP A 62 7.007 1.783 -4.279 1.00 0.00 O ATOM 829 CB ASP A 62 9.627 2.216 -2.200 1.00 0.00 C ATOM 830 CG ASP A 62 10.733 3.253 -2.226 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.566 4.313 -1.588 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.765 3.004 -2.884 1.00 0.00 O ATOM 0 H ASP A 62 8.271 3.340 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 62 8.373 3.614 -3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.601 1.742 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.849 1.434 -2.926 1.00 0.00 H new ATOM 837 N SER A 63 6.929 0.802 -2.256 1.00 0.00 N ATOM 838 CA SER A 63 6.053 -0.279 -2.692 1.00 0.00 C ATOM 839 C SER A 63 4.986 0.240 -3.651 1.00 0.00 C ATOM 840 O SER A 63 4.489 -0.498 -4.503 1.00 0.00 O ATOM 841 CB SER A 63 5.390 -0.945 -1.485 1.00 0.00 C ATOM 842 OG SER A 63 4.343 -0.140 -0.970 1.00 0.00 O ATOM 0 H SER A 63 7.191 0.761 -1.271 1.00 0.00 H new ATOM 0 HA SER A 63 6.660 -1.017 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.996 -1.919 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.134 -1.120 -0.708 1.00 0.00 H new ATOM 0 HG SER A 63 4.704 0.727 -0.691 1.00 0.00 H new ATOM 848 N LEU A 64 4.639 1.514 -3.507 1.00 0.00 N ATOM 849 CA LEU A 64 3.631 2.133 -4.360 1.00 0.00 C ATOM 850 C LEU A 64 4.070 2.119 -5.820 1.00 0.00 C ATOM 851 O LEU A 64 3.292 1.774 -6.711 1.00 0.00 O ATOM 852 CB LEU A 64 3.366 3.571 -3.908 1.00 0.00 C ATOM 853 CG LEU A 64 2.885 3.745 -2.467 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.728 5.219 -2.131 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.574 3.003 -2.250 1.00 0.00 C ATOM 0 H LEU A 64 5.041 2.138 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 64 2.711 1.555 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.284 4.145 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.622 4.008 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 64 3.635 3.320 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.385 5.323 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.688 5.723 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.998 5.670 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.246 3.137 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.816 3.398 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.720 1.941 -2.449 1.00 0.00 H new ATOM 867 N LYS A 65 5.322 2.495 -6.060 1.00 0.00 N ATOM 868 CA LYS A 65 5.867 2.522 -7.412 1.00 0.00 C ATOM 869 C LYS A 65 5.930 1.117 -8.002 1.00 0.00 C ATOM 870 O LYS A 65 5.842 0.939 -9.216 1.00 0.00 O ATOM 871 CB LYS A 65 7.263 3.148 -7.408 1.00 0.00 C ATOM 872 CG LYS A 65 7.249 4.666 -7.348 1.00 0.00 C ATOM 873 CD LYS A 65 7.214 5.279 -8.738 1.00 0.00 C ATOM 874 CE LYS A 65 8.594 5.289 -9.378 1.00 0.00 C ATOM 875 NZ LYS A 65 8.581 5.943 -10.715 1.00 0.00 N ATOM 0 H LYS A 65 5.978 2.785 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 65 5.205 3.127 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.822 2.764 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.796 2.833 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.381 5.001 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.133 5.018 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.524 4.717 -9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.832 6.298 -8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.293 5.811 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.955 4.265 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.540 5.929 -11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.933 5.430 -11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.261 6.928 -10.617 1.00 0.00 H new ATOM 889 N GLY A 66 6.081 0.121 -7.134 1.00 0.00 N ATOM 890 CA GLY A 66 6.152 -1.255 -7.588 1.00 0.00 C ATOM 891 C GLY A 66 7.509 -1.880 -7.335 1.00 0.00 C ATOM 892 O GLY A 66 7.658 -3.101 -7.390 1.00 0.00 O ATOM 0 H GLY A 66 6.155 0.243 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.385 -1.841 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.931 -1.294 -8.655 1.00 0.00 H new ATOM 896 N ARG A 67 8.503 -1.042 -7.059 1.00 0.00 N ATOM 897 CA ARG A 67 9.856 -1.520 -6.800 1.00 0.00 C ATOM 898 C ARG A 67 10.419 -0.894 -5.527 1.00 0.00 C ATOM 899 O ARG A 67 10.726 0.298 -5.491 1.00 0.00 O ATOM 900 CB ARG A 67 10.769 -1.199 -7.985 1.00 0.00 C ATOM 901 CG ARG A 67 10.308 -1.819 -9.294 1.00 0.00 C ATOM 902 CD ARG A 67 10.938 -1.125 -10.491 1.00 0.00 C ATOM 903 NE ARG A 67 11.074 -2.023 -11.635 1.00 0.00 N ATOM 904 CZ ARG A 67 10.053 -2.411 -12.390 1.00 0.00 C ATOM 905 NH1 ARG A 67 8.827 -1.983 -12.125 1.00 0.00 N ATOM 906 NH2 ARG A 67 10.258 -3.230 -13.414 1.00 0.00 N ATOM 0 H ARG A 67 8.397 -0.029 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 67 9.813 -2.601 -6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.827 -0.117 -8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.777 -1.549 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.567 -2.878 -9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.222 -1.756 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.329 -0.267 -10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.920 -0.741 -10.212 1.00 0.00 H new ATOM 0 HE ARG A 67 12.004 -2.371 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.665 -1.353 -11.339 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.045 -2.283 -12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.200 -3.562 -13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.473 -3.528 -13.994 1.00 0.00 H new ATOM 920 N CYS A 68 10.550 -1.706 -4.483 1.00 0.00 N ATOM 921 CA CYS A 68 11.075 -1.234 -3.208 1.00 0.00 C ATOM 922 C CYS A 68 12.545 -1.611 -3.050 1.00 0.00 C ATOM 923 O CYS A 68 13.011 -2.590 -3.634 1.00 0.00 O ATOM 924 CB CYS A 68 10.261 -1.816 -2.050 1.00 0.00 C ATOM 925 SG CYS A 68 10.764 -1.210 -0.408 1.00 0.00 S ATOM 0 H CYS A 68 10.299 -2.695 -4.496 1.00 0.00 H new ATOM 0 HA CYS A 68 10.993 -0.147 -3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.208 -1.580 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.350 -2.902 -2.067 1.00 0.00 H new ATOM 0 HG CYS A 68 9.779 -0.557 0.134 1.00 0.00 H new ATOM 930 N SER A 69 13.270 -0.828 -2.258 1.00 0.00 N ATOM 931 CA SER A 69 14.688 -1.078 -2.026 1.00 0.00 C ATOM 932 C SER A 69 14.925 -1.585 -0.607 1.00 0.00 C ATOM 933 O SER A 69 15.585 -2.604 -0.403 1.00 0.00 O ATOM 934 CB SER A 69 15.498 0.198 -2.266 1.00 0.00 C ATOM 935 OG SER A 69 15.273 0.707 -3.569 1.00 0.00 O ATOM 0 H SER A 69 12.899 -0.015 -1.766 1.00 0.00 H new ATOM 0 HA SER A 69 15.016 -1.846 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.225 0.950 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.559 -0.011 -2.132 1.00 0.00 H new ATOM 0 HG SER A 69 15.800 1.523 -3.697 1.00 0.00 H new ATOM 941 N ARG A 70 14.382 -0.867 0.370 1.00 0.00 N ATOM 942 CA ARG A 70 14.535 -1.243 1.770 1.00 0.00 C ATOM 943 C ARG A 70 14.516 -2.760 1.931 1.00 0.00 C ATOM 944 O ARG A 70 13.586 -3.429 1.482 1.00 0.00 O ATOM 945 CB ARG A 70 13.424 -0.615 2.614 1.00 0.00 C ATOM 946 CG ARG A 70 13.605 0.876 2.847 1.00 0.00 C ATOM 947 CD ARG A 70 12.641 1.396 3.902 1.00 0.00 C ATOM 948 NE ARG A 70 12.852 0.758 5.198 1.00 0.00 N ATOM 949 CZ ARG A 70 12.488 1.302 6.354 1.00 0.00 C ATOM 950 NH1 ARG A 70 11.897 2.489 6.374 1.00 0.00 N ATOM 951 NH2 ARG A 70 12.715 0.660 7.492 1.00 0.00 N ATOM 0 H ARG A 70 13.832 -0.021 0.218 1.00 0.00 H new ATOM 0 HA ARG A 70 15.499 -0.871 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.466 -0.784 2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.381 -1.122 3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.630 1.075 3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.447 1.413 1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.763 2.474 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.616 1.221 3.574 1.00 0.00 H new ATOM 0 HE ARG A 70 13.304 -0.156 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.721 2.986 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.618 2.905 7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.170 -0.253 7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.435 1.079 8.379 1.00 0.00 H new ATOM 965 N GLU A 71 15.548 -3.295 2.576 1.00 0.00 N ATOM 966 CA GLU A 71 15.649 -4.733 2.794 1.00 0.00 C ATOM 967 C GLU A 71 14.592 -5.208 3.788 1.00 0.00 C ATOM 968 O GLU A 71 13.665 -5.931 3.426 1.00 0.00 O ATOM 969 CB GLU A 71 17.044 -5.098 3.304 1.00 0.00 C ATOM 970 CG GLU A 71 17.305 -6.594 3.349 1.00 0.00 C ATOM 971 CD GLU A 71 16.899 -7.296 2.068 1.00 0.00 C ATOM 972 OE1 GLU A 71 15.682 -7.443 1.831 1.00 0.00 O ATOM 973 OE2 GLU A 71 17.800 -7.697 1.301 1.00 0.00 O ATOM 0 H GLU A 71 16.325 -2.755 2.956 1.00 0.00 H new ATOM 0 HA GLU A 71 15.477 -5.232 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.790 -4.627 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.175 -4.685 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.365 -6.769 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.759 -7.029 4.186 1.00 0.00 H new ATOM 980 N ASN A 72 14.741 -4.796 5.043 1.00 0.00 N ATOM 981 CA ASN A 72 13.800 -5.179 6.089 1.00 0.00 C ATOM 982 C ASN A 72 12.667 -4.164 6.201 1.00 0.00 C ATOM 983 O ASN A 72 12.185 -3.873 7.296 1.00 0.00 O ATOM 984 CB ASN A 72 14.523 -5.303 7.432 1.00 0.00 C ATOM 985 CG ASN A 72 15.787 -6.135 7.334 1.00 0.00 C ATOM 986 OD1 ASN A 72 16.782 -5.706 6.749 1.00 0.00 O ATOM 987 ND2 ASN A 72 15.754 -7.332 7.908 1.00 0.00 N ATOM 0 H ASN A 72 15.504 -4.197 5.360 1.00 0.00 H new ATOM 0 HA ASN A 72 13.372 -6.145 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.774 -4.308 7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 72 13.851 -5.753 8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.575 -7.936 7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 72 14.908 -7.647 8.382 1.00 0.00 H new ATOM 994 N CYS A 73 12.245 -3.629 5.060 1.00 0.00 N ATOM 995 CA CYS A 73 11.168 -2.647 5.028 1.00 0.00 C ATOM 996 C CYS A 73 10.109 -2.966 6.079 1.00 0.00 C ATOM 997 O CYS A 73 9.370 -3.943 5.956 1.00 0.00 O ATOM 998 CB CYS A 73 10.528 -2.606 3.639 1.00 0.00 C ATOM 999 SG CYS A 73 9.530 -1.115 3.323 1.00 0.00 S ATOM 0 H CYS A 73 12.633 -3.859 4.145 1.00 0.00 H new ATOM 0 HA CYS A 73 11.595 -1.670 5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.314 -2.670 2.887 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.896 -3.486 3.516 1.00 0.00 H new ATOM 0 HG CYS A 73 8.281 -1.365 3.585 1.00 0.00 H new ATOM 1004 N LYS A 74 10.041 -2.135 7.114 1.00 0.00 N ATOM 1005 CA LYS A 74 9.073 -2.325 8.187 1.00 0.00 C ATOM 1006 C LYS A 74 7.660 -2.010 7.707 1.00 0.00 C ATOM 1007 O LYS A 74 6.678 -2.366 8.359 1.00 0.00 O ATOM 1008 CB LYS A 74 9.426 -1.440 9.384 1.00 0.00 C ATOM 1009 CG LYS A 74 9.321 0.047 9.092 1.00 0.00 C ATOM 1010 CD LYS A 74 9.447 0.875 10.360 1.00 0.00 C ATOM 1011 CE LYS A 74 8.091 1.109 11.009 1.00 0.00 C ATOM 1012 NZ LYS A 74 8.223 1.690 12.374 1.00 0.00 N ATOM 0 H LYS A 74 10.646 -1.322 7.232 1.00 0.00 H new ATOM 0 HA LYS A 74 9.109 -3.370 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.765 -1.686 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.442 -1.668 9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.102 0.336 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.365 0.258 8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.106 0.367 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.910 1.834 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.500 1.779 10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.548 0.166 11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.278 1.835 12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.765 1.039 12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.719 2.603 12.316 1.00 0.00 H new ATOM 1026 N TYR A 75 7.564 -1.342 6.563 1.00 0.00 N ATOM 1027 CA TYR A 75 6.271 -0.978 5.996 1.00 0.00 C ATOM 1028 C TYR A 75 5.753 -2.075 5.071 1.00 0.00 C ATOM 1029 O TYR A 75 6.492 -2.601 4.237 1.00 0.00 O ATOM 1030 CB TYR A 75 6.379 0.341 5.230 1.00 0.00 C ATOM 1031 CG TYR A 75 6.867 1.495 6.077 1.00 0.00 C ATOM 1032 CD1 TYR A 75 8.220 1.657 6.351 1.00 0.00 C ATOM 1033 CD2 TYR A 75 5.977 2.421 6.604 1.00 0.00 C ATOM 1034 CE1 TYR A 75 8.671 2.709 7.125 1.00 0.00 C ATOM 1035 CE2 TYR A 75 6.419 3.477 7.377 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.766 3.616 7.635 1.00 0.00 C ATOM 1037 OH TYR A 75 8.211 4.666 8.406 1.00 0.00 O ATOM 0 H TYR A 75 8.367 -1.041 6.010 1.00 0.00 H new ATOM 0 HA TYR A 75 5.565 -0.857 6.817 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.057 0.208 4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.402 0.592 4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.931 0.949 5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.921 2.314 6.406 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.726 2.820 7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.713 4.190 7.777 1.00 0.00 H new ATOM 0 HH TYR A 75 7.448 5.213 8.686 1.00 0.00 H new ATOM 1047 N LEU A 76 4.478 -2.416 5.223 1.00 0.00 N ATOM 1048 CA LEU A 76 3.859 -3.451 4.402 1.00 0.00 C ATOM 1049 C LEU A 76 3.529 -2.917 3.012 1.00 0.00 C ATOM 1050 O LEU A 76 3.248 -1.730 2.841 1.00 0.00 O ATOM 1051 CB LEU A 76 2.589 -3.972 5.075 1.00 0.00 C ATOM 1052 CG LEU A 76 1.588 -4.683 4.163 1.00 0.00 C ATOM 1053 CD1 LEU A 76 2.076 -6.082 3.823 1.00 0.00 C ATOM 1054 CD2 LEU A 76 0.216 -4.738 4.817 1.00 0.00 C ATOM 0 H LEU A 76 3.852 -1.991 5.907 1.00 0.00 H new ATOM 0 HA LEU A 76 4.569 -4.271 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.879 -4.660 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.083 -3.132 5.551 1.00 0.00 H new ATOM 0 HG LEU A 76 1.503 -4.115 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.351 -6.572 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.036 -6.018 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.191 -6.660 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.483 -5.247 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.284 -5.282 5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.137 -3.725 5.007 1.00 0.00 H new ATOM 1066 N HIS A 77 3.563 -3.802 2.020 1.00 0.00 N ATOM 1067 CA HIS A 77 3.265 -3.420 0.644 1.00 0.00 C ATOM 1068 C HIS A 77 1.837 -3.808 0.270 1.00 0.00 C ATOM 1069 O HIS A 77 1.545 -4.960 -0.051 1.00 0.00 O ATOM 1070 CB HIS A 77 4.253 -4.081 -0.317 1.00 0.00 C ATOM 1071 CG HIS A 77 5.684 -3.741 -0.031 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.278 -3.290 1.098 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.686 -3.851 -0.972 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.615 -3.138 0.822 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.835 -3.484 -0.434 1.00 0.00 N flip ATOM 0 H HIS A 77 3.794 -4.788 2.143 1.00 0.00 H new ATOM 0 HA HIS A 77 3.362 -2.337 0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.128 -5.163 -0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.013 -3.779 -1.337 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.552 -4.185 -1.990 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.364 -2.792 1.518 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.738 -3.470 -0.907 1.00 0.00 H new ATOM 1083 N PRO A 78 0.926 -2.825 0.313 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.486 -3.039 -0.018 1.00 0.00 C ATOM 1085 C PRO A 78 -0.699 -3.305 -1.504 1.00 0.00 C ATOM 1086 O PRO A 78 0.041 -2.818 -2.359 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.150 -1.722 0.391 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.062 -0.708 0.310 1.00 0.00 C ATOM 1089 CD PRO A 78 1.203 -1.428 0.688 1.00 0.00 C ATOM 0 HA PRO A 78 -0.895 -3.913 0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.975 -1.471 -0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.561 -1.782 1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.011 -0.293 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.254 0.125 0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.066 -1.032 0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.417 -1.333 1.753 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.735 -4.096 -1.822 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.070 -4.443 -3.206 1.00 0.00 C ATOM 1099 C PRO A 79 -2.613 -3.252 -3.988 1.00 0.00 C ATOM 1100 O PRO A 79 -2.872 -2.189 -3.421 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.150 -5.517 -3.051 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.766 -5.246 -1.722 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.660 -4.710 -0.855 1.00 0.00 C ATOM 0 HA PRO A 79 -1.195 -4.775 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.889 -5.454 -3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.721 -6.518 -3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.579 -4.525 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.190 -6.155 -1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.031 -3.980 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.177 -5.503 -0.284 1.00 0.00 H new ATOM 1111 N THR A 80 -2.784 -3.434 -5.293 1.00 0.00 N ATOM 1112 CA THR A 80 -3.295 -2.374 -6.153 1.00 0.00 C ATOM 1113 C THR A 80 -4.687 -1.934 -5.714 1.00 0.00 C ATOM 1114 O THR A 80 -4.875 -0.811 -5.245 1.00 0.00 O ATOM 1115 CB THR A 80 -3.351 -2.823 -7.625 1.00 0.00 C ATOM 1116 OG1 THR A 80 -2.151 -3.523 -7.971 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.531 -1.628 -8.549 1.00 0.00 C ATOM 0 H THR A 80 -2.576 -4.307 -5.778 1.00 0.00 H new ATOM 0 HA THR A 80 -2.606 -1.534 -6.063 1.00 0.00 H new ATOM 0 HB THR A 80 -4.206 -3.488 -7.746 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.196 -3.806 -8.908 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.568 -1.970 -9.583 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.461 -1.115 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.694 -0.942 -8.423 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.661 -2.825 -5.869 1.00 0.00 N ATOM 1126 CA HIS A 81 -7.037 -2.528 -5.488 1.00 0.00 C ATOM 1127 C HIS A 81 -7.078 -1.688 -4.215 1.00 0.00 C ATOM 1128 O HIS A 81 -7.970 -0.857 -4.036 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.823 -3.824 -5.283 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.274 -4.691 -4.191 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.592 -4.767 -2.877 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -6.273 -5.617 -4.396 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.786 -5.729 -2.319 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -6.000 -6.226 -3.256 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.523 -3.759 -6.256 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.497 -1.957 -6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.860 -3.578 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.828 -4.388 -6.216 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -8.298 -4.213 -2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.788 -5.814 -5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.794 -6.030 -1.282 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.110 -1.910 -3.333 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.036 -1.173 -2.076 1.00 0.00 C ATOM 1144 C LEU A 82 -5.364 0.181 -2.278 1.00 0.00 C ATOM 1145 O LEU A 82 -5.884 1.214 -1.854 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.269 -1.985 -1.031 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.058 -3.089 -0.327 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.233 -3.705 0.792 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.372 -2.544 0.214 1.00 0.00 C ATOM 0 H LEU A 82 -5.365 -2.594 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.053 -1.004 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.403 -2.437 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.889 -1.299 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.283 -3.868 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.811 -4.489 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.320 -4.133 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.976 -2.936 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.920 -3.344 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.168 -1.745 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.970 -2.152 -0.609 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.206 0.171 -2.930 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.464 1.398 -3.192 1.00 0.00 C ATOM 1163 C LYS A 83 -4.399 2.512 -3.650 1.00 0.00 C ATOM 1164 O LYS A 83 -4.272 3.660 -3.221 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.389 1.151 -4.253 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.086 0.615 -3.686 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.273 -0.109 -4.746 1.00 0.00 C ATOM 1168 CE LYS A 83 0.040 0.799 -5.925 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.808 0.088 -6.985 1.00 0.00 N ATOM 0 H LYS A 83 -3.761 -0.675 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.985 1.709 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.773 0.445 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.190 2.084 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.501 1.438 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.299 -0.066 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.657 -0.472 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.824 -0.983 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.890 1.182 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.611 1.660 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.754 0.511 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.899 -0.917 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.307 0.173 -7.893 1.00 0.00 H new ATOM 1183 N THR A 84 -5.341 2.168 -4.522 1.00 0.00 N ATOM 1184 CA THR A 84 -6.298 3.139 -5.038 1.00 0.00 C ATOM 1185 C THR A 84 -6.969 3.904 -3.903 1.00 0.00 C ATOM 1186 O THR A 84 -7.044 5.132 -3.931 1.00 0.00 O ATOM 1187 CB THR A 84 -7.382 2.459 -5.895 1.00 0.00 C ATOM 1188 OG1 THR A 84 -6.774 1.740 -6.974 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.357 3.486 -6.450 1.00 0.00 C ATOM 0 H THR A 84 -5.462 1.223 -4.886 1.00 0.00 H new ATOM 0 HA THR A 84 -5.737 3.836 -5.661 1.00 0.00 H new ATOM 0 HB THR A 84 -7.933 1.765 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.470 1.309 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.113 2.982 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.840 4.012 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.818 4.202 -7.070 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.456 3.171 -2.907 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.121 3.782 -1.763 1.00 0.00 C ATOM 1199 C GLN A 85 -7.312 4.959 -1.228 1.00 0.00 C ATOM 1200 O GLN A 85 -7.845 6.050 -1.020 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.333 2.748 -0.656 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.565 1.881 -0.862 1.00 0.00 C ATOM 1203 CD GLN A 85 -10.057 1.251 0.426 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -9.524 1.518 1.504 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -11.080 0.411 0.322 1.00 0.00 N ATOM 0 H GLN A 85 -7.402 2.153 -2.869 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.091 4.152 -2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.454 2.107 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.418 3.264 0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.362 2.486 -1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.336 1.095 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.491 0.219 -0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.455 -0.042 1.156 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.022 4.731 -1.005 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.138 5.772 -0.493 1.00 0.00 C ATOM 1216 C LEU A 86 -5.295 7.061 -1.293 1.00 0.00 C ATOM 1217 O LEU A 86 -5.312 8.155 -0.728 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.683 5.302 -0.541 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.306 4.186 0.434 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.948 3.602 0.077 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.306 4.705 1.865 1.00 0.00 C ATOM 0 H LEU A 86 -5.565 3.834 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.414 5.973 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.465 4.962 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.039 6.159 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.051 3.394 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.696 2.809 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.982 3.193 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.191 4.385 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.036 3.897 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.583 5.515 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.300 5.075 2.118 1.00 0.00 H new