USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 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 -0:sc= -1.95 USER MOD Set 1.2: A 78 GLN : amide:sc= -4.31! C(o=-6.3!,f=-4.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.125 (180deg=-0.628) USER MOD Single : A 28 HIS : no HD1:sc= -5.76 K(o=-5.8,f=-4.8!) USER MOD Single : A 29 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.3) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.178 USER MOD Single : A 43 MET CE :methyl -167:sc= -0.306 (180deg=-0.63) USER MOD Single : A 50 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.27) USER MOD Single : A 52 HIS : no HE2:sc= -0.737 X(o=-0.74,f=-0.84) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0299) USER MOD Single : A 81 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.13) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= -1.31 (180deg=-1.38) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.601 13.184 4.817 1.00 0.00 N ATOM 191 CA ILE A 16 5.129 11.815 4.652 1.00 0.00 C ATOM 192 C ILE A 16 3.689 11.786 4.152 1.00 0.00 C ATOM 193 O ILE A 16 2.876 12.634 4.520 1.00 0.00 O ATOM 194 CB ILE A 16 5.217 11.026 5.972 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.680 10.781 6.348 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.468 9.708 5.853 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.512 10.229 5.211 1.00 0.00 C ATOM 0 HA ILE A 16 5.778 11.345 3.913 1.00 0.00 H new ATOM 0 HB ILE A 16 4.752 11.616 6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.121 11.718 6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.720 10.086 7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.540 9.162 6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.420 9.904 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.907 9.111 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.537 10.080 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.096 9.276 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.503 10.933 4.379 1.00 0.00 H new ATOM 209 N ALA A 17 3.379 10.804 3.312 1.00 0.00 N ATOM 210 CA ALA A 17 2.036 10.662 2.765 1.00 0.00 C ATOM 211 C ALA A 17 1.420 9.324 3.160 1.00 0.00 C ATOM 212 O ALA A 17 1.853 8.270 2.694 1.00 0.00 O ATOM 213 CB ALA A 17 2.065 10.805 1.250 1.00 0.00 C ATOM 0 H ALA A 17 4.040 10.095 2.996 1.00 0.00 H new ATOM 0 HA ALA A 17 1.415 11.455 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.055 10.697 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.455 11.788 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.706 10.033 0.824 1.00 0.00 H new ATOM 219 N GLU A 18 0.409 9.374 4.020 1.00 0.00 N ATOM 220 CA GLU A 18 -0.265 8.164 4.479 1.00 0.00 C ATOM 221 C GLU A 18 -1.424 7.803 3.554 1.00 0.00 C ATOM 222 O GLU A 18 -2.384 8.560 3.419 1.00 0.00 O ATOM 223 CB GLU A 18 -0.777 8.349 5.908 1.00 0.00 C ATOM 224 CG GLU A 18 -0.823 7.059 6.710 1.00 0.00 C ATOM 225 CD GLU A 18 -1.285 7.275 8.137 1.00 0.00 C ATOM 226 OE1 GLU A 18 -0.887 8.294 8.741 1.00 0.00 O ATOM 227 OE2 GLU A 18 -2.044 6.427 8.652 1.00 0.00 O ATOM 0 H GLU A 18 0.038 10.239 4.414 1.00 0.00 H new ATOM 0 HA GLU A 18 0.458 7.348 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.138 9.065 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.777 8.781 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.493 6.354 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.168 6.605 6.718 1.00 0.00 H new ATOM 234 N VAL A 19 -1.325 6.640 2.917 1.00 0.00 N ATOM 235 CA VAL A 19 -2.364 6.177 2.005 1.00 0.00 C ATOM 236 C VAL A 19 -2.651 4.694 2.207 1.00 0.00 C ATOM 237 O VAL A 19 -1.822 3.842 1.888 1.00 0.00 O ATOM 238 CB VAL A 19 -1.969 6.417 0.536 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.051 5.899 -0.400 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.703 7.895 0.291 1.00 0.00 C ATOM 0 H VAL A 19 -0.536 6.002 3.016 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.262 6.752 2.230 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.051 5.867 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.754 6.077 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.188 4.829 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.987 6.419 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.425 8.047 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.603 8.468 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.890 8.230 0.935 1.00 0.00 H new ATOM 250 N GLU A 20 -3.832 4.392 2.737 1.00 0.00 N ATOM 251 CA GLU A 20 -4.229 3.010 2.982 1.00 0.00 C ATOM 252 C GLU A 20 -5.138 2.500 1.868 1.00 0.00 C ATOM 253 O GLU A 20 -5.707 3.284 1.108 1.00 0.00 O ATOM 254 CB GLU A 20 -4.941 2.891 4.331 1.00 0.00 C ATOM 255 CG GLU A 20 -6.442 3.116 4.249 1.00 0.00 C ATOM 256 CD GLU A 20 -7.014 3.708 5.523 1.00 0.00 C ATOM 257 OE1 GLU A 20 -7.305 2.933 6.457 1.00 0.00 O ATOM 258 OE2 GLU A 20 -7.170 4.945 5.585 1.00 0.00 O ATOM 0 H GLU A 20 -4.530 5.085 3.005 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.327 2.398 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.753 1.901 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.511 3.614 5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.661 3.781 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.937 2.168 4.039 1.00 0.00 H new ATOM 265 N VAL A 21 -5.269 1.180 1.777 1.00 0.00 N ATOM 266 CA VAL A 21 -6.108 0.564 0.756 1.00 0.00 C ATOM 267 C VAL A 21 -6.836 -0.658 1.309 1.00 0.00 C ATOM 268 O VAL A 21 -6.319 -1.362 2.174 1.00 0.00 O ATOM 269 CB VAL A 21 -5.280 0.143 -0.472 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.367 -1.023 -0.128 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.196 -0.213 -1.634 1.00 0.00 C ATOM 0 H VAL A 21 -4.805 0.517 2.398 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.839 1.313 0.451 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.656 0.985 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.790 -1.306 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.687 -0.729 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.968 -1.871 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.595 -0.508 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.846 -1.039 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.804 0.653 -1.896 1.00 0.00 H new ATOM 281 N SER A 22 -8.040 -0.902 0.799 1.00 0.00 N ATOM 282 CA SER A 22 -8.841 -2.036 1.244 1.00 0.00 C ATOM 283 C SER A 22 -8.327 -3.336 0.633 1.00 0.00 C ATOM 284 O SER A 22 -8.255 -3.475 -0.589 1.00 0.00 O ATOM 285 CB SER A 22 -10.310 -1.828 0.867 1.00 0.00 C ATOM 286 OG SER A 22 -11.107 -2.913 1.311 1.00 0.00 O ATOM 0 H SER A 22 -8.481 -0.330 0.079 1.00 0.00 H new ATOM 0 HA SER A 22 -8.757 -2.106 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.674 -0.900 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.400 -1.724 -0.214 1.00 0.00 H new ATOM 0 HG SER A 22 -12.041 -2.757 1.060 1.00 0.00 H new ATOM 292 N ILE A 23 -7.970 -4.285 1.491 1.00 0.00 N ATOM 293 CA ILE A 23 -7.463 -5.575 1.037 1.00 0.00 C ATOM 294 C ILE A 23 -7.759 -6.671 2.056 1.00 0.00 C ATOM 295 O ILE A 23 -7.631 -6.480 3.265 1.00 0.00 O ATOM 296 CB ILE A 23 -5.946 -5.524 0.780 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.625 -4.496 -0.307 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.430 -6.900 0.384 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.143 -4.271 -0.507 1.00 0.00 C ATOM 0 H ILE A 23 -8.022 -4.186 2.505 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.974 -5.804 0.102 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.446 -5.220 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.065 -4.825 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.097 -3.548 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.356 -6.848 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.631 -7.609 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.933 -7.230 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.990 -3.531 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.701 -3.911 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.668 -5.209 -0.795 1.00 0.00 H new ATOM 311 N PRO A 24 -8.162 -7.848 1.557 1.00 0.00 N ATOM 312 CA PRO A 24 -8.481 -9.000 2.405 1.00 0.00 C ATOM 313 C PRO A 24 -7.243 -9.594 3.068 1.00 0.00 C ATOM 314 O PRO A 24 -6.151 -9.565 2.501 1.00 0.00 O ATOM 315 CB PRO A 24 -9.096 -10.003 1.426 1.00 0.00 C ATOM 316 CG PRO A 24 -8.523 -9.639 0.101 1.00 0.00 C ATOM 317 CD PRO A 24 -8.337 -8.147 0.125 1.00 0.00 C ATOM 0 HA PRO A 24 -9.141 -8.728 3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.844 -11.028 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.184 -9.934 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.574 -10.148 -0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.191 -9.936 -0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.469 -7.841 -0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.200 -7.628 -0.291 1.00 0.00 H new ATOM 325 N ALA A 25 -7.421 -10.131 4.270 1.00 0.00 N ATOM 326 CA ALA A 25 -6.317 -10.733 5.008 1.00 0.00 C ATOM 327 C ALA A 25 -5.887 -12.051 4.374 1.00 0.00 C ATOM 328 O ALA A 25 -4.735 -12.468 4.502 1.00 0.00 O ATOM 329 CB ALA A 25 -6.711 -10.948 6.463 1.00 0.00 C ATOM 0 H ALA A 25 -8.319 -10.162 4.754 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.470 -10.048 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.878 -11.398 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.962 -9.990 6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.575 -11.610 6.512 1.00 0.00 H new ATOM 335 N LYS A 26 -6.820 -12.705 3.690 1.00 0.00 N ATOM 336 CA LYS A 26 -6.538 -13.977 3.035 1.00 0.00 C ATOM 337 C LYS A 26 -5.450 -13.815 1.979 1.00 0.00 C ATOM 338 O LYS A 26 -4.798 -14.785 1.590 1.00 0.00 O ATOM 339 CB LYS A 26 -7.809 -14.534 2.390 1.00 0.00 C ATOM 340 CG LYS A 26 -8.273 -13.746 1.178 1.00 0.00 C ATOM 341 CD LYS A 26 -7.723 -14.329 -0.113 1.00 0.00 C ATOM 342 CE LYS A 26 -8.568 -13.928 -1.311 1.00 0.00 C ATOM 343 NZ LYS A 26 -9.951 -14.470 -1.220 1.00 0.00 N ATOM 0 H LYS A 26 -7.778 -12.375 3.575 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.184 -14.677 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.633 -15.568 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.607 -14.546 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.362 -13.742 1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.954 -12.708 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.698 -13.988 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.690 -15.416 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.608 -12.841 -1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.096 -14.288 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.341 -14.588 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.932 -15.391 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.548 -13.810 -0.682 1.00 0.00 H new ATOM 357 N LEU A 27 -5.255 -12.584 1.519 1.00 0.00 N ATOM 358 CA LEU A 27 -4.244 -12.295 0.509 1.00 0.00 C ATOM 359 C LEU A 27 -2.923 -11.896 1.159 1.00 0.00 C ATOM 360 O LEU A 27 -1.848 -12.266 0.685 1.00 0.00 O ATOM 361 CB LEU A 27 -4.726 -11.177 -0.419 1.00 0.00 C ATOM 362 CG LEU A 27 -5.915 -11.518 -1.318 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.346 -10.298 -2.117 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.570 -12.672 -2.247 1.00 0.00 C ATOM 0 H LEU A 27 -5.784 -11.770 1.830 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.082 -13.200 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.993 -10.315 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.893 -10.873 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.747 -11.826 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.193 -10.559 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.636 -9.500 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.518 -9.959 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.429 -12.900 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.722 -12.394 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.311 -13.550 -1.656 1.00 0.00 H new ATOM 376 N HIS A 28 -3.010 -11.141 2.250 1.00 0.00 N ATOM 377 CA HIS A 28 -1.821 -10.695 2.969 1.00 0.00 C ATOM 378 C HIS A 28 -0.749 -11.779 2.970 1.00 0.00 C ATOM 379 O HIS A 28 0.317 -11.612 2.377 1.00 0.00 O ATOM 380 CB HIS A 28 -2.181 -10.315 4.405 1.00 0.00 C ATOM 381 CG HIS A 28 -3.134 -9.162 4.499 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.677 -8.731 5.691 1.00 0.00 N ATOM 383 CD2 HIS A 28 -3.638 -8.350 3.541 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.475 -7.703 5.462 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.468 -7.452 4.165 1.00 0.00 N ATOM 0 H HIS A 28 -3.891 -10.825 2.656 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.424 -9.818 2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.620 -11.180 4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.268 -10.066 4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.427 -8.399 2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.037 -7.161 6.208 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.994 -6.711 3.702 1.00 0.00 H new ATOM 393 N ASN A 29 -1.037 -12.890 3.641 1.00 0.00 N ATOM 394 CA ASN A 29 -0.096 -14.001 3.720 1.00 0.00 C ATOM 395 C ASN A 29 0.595 -14.226 2.379 1.00 0.00 C ATOM 396 O ASN A 29 1.792 -14.507 2.325 1.00 0.00 O ATOM 397 CB ASN A 29 -0.818 -15.278 4.155 1.00 0.00 C ATOM 398 CG ASN A 29 -1.789 -15.034 5.294 1.00 0.00 C ATOM 399 OD1 ASN A 29 -1.444 -14.400 6.291 1.00 0.00 O ATOM 400 ND2 ASN A 29 -3.008 -15.540 5.151 1.00 0.00 N ATOM 0 H ASN A 29 -1.914 -13.044 4.138 1.00 0.00 H new ATOM 0 HA ASN A 29 0.663 -13.750 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.357 -15.695 3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.082 -16.022 4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.704 -15.410 5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.249 -16.059 4.307 1.00 0.00 H new ATOM 407 N SER A 30 -0.167 -14.098 1.297 1.00 0.00 N ATOM 408 CA SER A 30 0.371 -14.290 -0.045 1.00 0.00 C ATOM 409 C SER A 30 1.263 -13.119 -0.445 1.00 0.00 C ATOM 410 O SER A 30 2.454 -13.294 -0.707 1.00 0.00 O ATOM 411 CB SER A 30 -0.767 -14.446 -1.056 1.00 0.00 C ATOM 412 OG SER A 30 -1.685 -15.444 -0.641 1.00 0.00 O ATOM 0 H SER A 30 -1.159 -13.862 1.324 1.00 0.00 H new ATOM 0 HA SER A 30 0.973 -15.199 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.287 -13.495 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.358 -14.707 -2.032 1.00 0.00 H new ATOM 0 HG SER A 30 -2.403 -15.523 -1.303 1.00 0.00 H new ATOM 418 N LEU A 31 0.680 -11.927 -0.488 1.00 0.00 N ATOM 419 CA LEU A 31 1.422 -10.725 -0.856 1.00 0.00 C ATOM 420 C LEU A 31 2.730 -10.633 -0.077 1.00 0.00 C ATOM 421 O LEU A 31 3.805 -10.509 -0.662 1.00 0.00 O ATOM 422 CB LEU A 31 0.573 -9.479 -0.599 1.00 0.00 C ATOM 423 CG LEU A 31 -0.331 -9.035 -1.749 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.546 -8.292 -1.216 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.441 -8.163 -2.728 1.00 0.00 C ATOM 0 H LEU A 31 -0.304 -11.766 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 31 1.657 -10.784 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.050 -9.662 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.240 -8.654 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.676 -9.923 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.178 -7.984 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.112 -8.948 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.220 -7.411 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.218 -7.856 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.816 -7.279 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.280 -8.728 -3.135 1.00 0.00 H new ATOM 437 N ILE A 32 2.629 -10.697 1.247 1.00 0.00 N ATOM 438 CA ILE A 32 3.805 -10.623 2.106 1.00 0.00 C ATOM 439 C ILE A 32 4.832 -11.686 1.724 1.00 0.00 C ATOM 440 O ILE A 32 5.965 -11.367 1.366 1.00 0.00 O ATOM 441 CB ILE A 32 3.430 -10.798 3.589 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.338 -9.800 3.983 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.658 -10.623 4.470 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.427 -10.304 5.081 1.00 0.00 C ATOM 0 H ILE A 32 1.746 -10.800 1.747 1.00 0.00 H new ATOM 0 HA ILE A 32 4.239 -9.633 1.964 1.00 0.00 H new ATOM 0 HB ILE A 32 3.043 -11.807 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.806 -8.871 4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.738 -9.564 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.377 -10.750 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.407 -11.369 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.071 -9.625 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.678 -9.546 5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.931 -11.217 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.015 -10.513 5.975 1.00 0.00 H new ATOM 456 N GLY A 33 4.425 -12.949 1.802 1.00 0.00 N ATOM 457 CA GLY A 33 5.322 -14.039 1.461 1.00 0.00 C ATOM 458 C GLY A 33 5.756 -14.834 2.676 1.00 0.00 C ATOM 459 O GLY A 33 5.545 -14.411 3.813 1.00 0.00 O ATOM 0 H GLY A 33 3.491 -13.237 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.828 -14.704 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.203 -13.637 0.960 1.00 0.00 H new ATOM 463 N THR A 34 6.365 -15.992 2.436 1.00 0.00 N ATOM 464 CA THR A 34 6.828 -16.850 3.520 1.00 0.00 C ATOM 465 C THR A 34 7.533 -16.038 4.601 1.00 0.00 C ATOM 466 O THR A 34 7.213 -16.150 5.785 1.00 0.00 O ATOM 467 CB THR A 34 7.788 -17.937 3.002 1.00 0.00 C ATOM 468 OG1 THR A 34 8.219 -18.767 4.088 1.00 0.00 O ATOM 469 CG2 THR A 34 8.998 -17.315 2.323 1.00 0.00 C ATOM 0 H THR A 34 6.549 -16.357 1.501 1.00 0.00 H new ATOM 0 HA THR A 34 5.945 -17.327 3.946 1.00 0.00 H new ATOM 0 HB THR A 34 7.253 -18.543 2.270 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.828 -19.457 3.751 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.660 -18.104 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.670 -16.708 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.533 -16.687 3.036 1.00 0.00 H new ATOM 477 N LYS A 35 8.495 -15.220 4.187 1.00 0.00 N ATOM 478 CA LYS A 35 9.245 -14.387 5.119 1.00 0.00 C ATOM 479 C LYS A 35 9.178 -12.919 4.712 1.00 0.00 C ATOM 480 O LYS A 35 10.153 -12.181 4.852 1.00 0.00 O ATOM 481 CB LYS A 35 10.705 -14.843 5.183 1.00 0.00 C ATOM 482 CG LYS A 35 10.913 -16.103 6.006 1.00 0.00 C ATOM 483 CD LYS A 35 12.172 -16.842 5.585 1.00 0.00 C ATOM 484 CE LYS A 35 12.780 -17.612 6.747 1.00 0.00 C ATOM 485 NZ LYS A 35 14.073 -18.250 6.373 1.00 0.00 N ATOM 0 H LYS A 35 8.774 -15.116 3.211 1.00 0.00 H new ATOM 0 HA LYS A 35 8.794 -14.494 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.067 -15.017 4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.310 -14.040 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.979 -15.842 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.050 -16.759 5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.937 -17.531 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.901 -16.130 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.938 -16.936 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.080 -18.378 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.455 -18.765 7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.918 -18.914 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.749 -17.517 6.078 1.00 0.00 H new ATOM 499 N GLY A 36 8.020 -12.501 4.209 1.00 0.00 N ATOM 500 CA GLY A 36 7.848 -11.122 3.791 1.00 0.00 C ATOM 501 C GLY A 36 8.888 -10.689 2.776 1.00 0.00 C ATOM 502 O GLY A 36 9.523 -9.647 2.934 1.00 0.00 O ATOM 0 H GLY A 36 7.199 -13.093 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.853 -10.997 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.904 -10.471 4.664 1.00 0.00 H new ATOM 506 N ARG A 37 9.061 -11.491 1.731 1.00 0.00 N ATOM 507 CA ARG A 37 10.033 -11.188 0.688 1.00 0.00 C ATOM 508 C ARG A 37 9.355 -10.530 -0.511 1.00 0.00 C ATOM 509 O ARG A 37 9.958 -9.711 -1.207 1.00 0.00 O ATOM 510 CB ARG A 37 10.752 -12.463 0.244 1.00 0.00 C ATOM 511 CG ARG A 37 11.452 -12.331 -1.099 1.00 0.00 C ATOM 512 CD ARG A 37 11.981 -13.672 -1.585 1.00 0.00 C ATOM 513 NE ARG A 37 13.117 -14.133 -0.792 1.00 0.00 N ATOM 514 CZ ARG A 37 13.874 -15.171 -1.128 1.00 0.00 C ATOM 515 NH1 ARG A 37 13.619 -15.852 -2.237 1.00 0.00 N ATOM 516 NH2 ARG A 37 14.891 -15.531 -0.355 1.00 0.00 N ATOM 0 H ARG A 37 8.541 -12.356 1.584 1.00 0.00 H new ATOM 0 HA ARG A 37 10.764 -10.492 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.486 -12.739 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.029 -13.277 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.758 -11.924 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.276 -11.623 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.183 -14.414 -1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.279 -13.587 -2.630 1.00 0.00 H new ATOM 0 HE ARG A 37 13.341 -13.630 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.839 -15.579 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.203 -16.649 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.092 -15.010 0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.471 -16.329 -0.615 1.00 0.00 H new ATOM 530 N LEU A 38 8.099 -10.895 -0.748 1.00 0.00 N ATOM 531 CA LEU A 38 7.338 -10.340 -1.862 1.00 0.00 C ATOM 532 C LEU A 38 6.983 -8.879 -1.606 1.00 0.00 C ATOM 533 O LEU A 38 6.686 -8.130 -2.537 1.00 0.00 O ATOM 534 CB LEU A 38 6.065 -11.154 -2.091 1.00 0.00 C ATOM 535 CG LEU A 38 6.199 -12.368 -3.012 1.00 0.00 C ATOM 536 CD1 LEU A 38 4.954 -13.236 -2.936 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.456 -11.923 -4.445 1.00 0.00 C ATOM 0 H LEU A 38 7.587 -11.573 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 38 7.960 -10.391 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.698 -11.496 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.304 -10.492 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 38 7.050 -12.962 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.068 -14.094 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.814 -13.583 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.085 -12.654 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.549 -12.799 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.625 -11.307 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.378 -11.344 -4.486 1.00 0.00 H new ATOM 549 N ILE A 39 7.017 -8.480 -0.339 1.00 0.00 N ATOM 550 CA ILE A 39 6.702 -7.108 0.038 1.00 0.00 C ATOM 551 C ILE A 39 7.971 -6.284 0.225 1.00 0.00 C ATOM 552 O ILE A 39 8.045 -5.134 -0.208 1.00 0.00 O ATOM 553 CB ILE A 39 5.875 -7.057 1.337 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.420 -7.441 1.056 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.952 -5.672 1.960 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.646 -6.373 0.317 1.00 0.00 C ATOM 0 H ILE A 39 7.260 -9.088 0.444 1.00 0.00 H new ATOM 0 HA ILE A 39 6.113 -6.685 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 39 6.291 -7.775 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.402 -8.361 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.920 -7.653 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.363 -5.652 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.990 -5.434 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.558 -4.936 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.624 -6.713 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.633 -5.458 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.123 -6.177 -0.644 1.00 0.00 H new ATOM 568 N ARG A 40 8.968 -6.880 0.869 1.00 0.00 N ATOM 569 CA ARG A 40 10.235 -6.202 1.112 1.00 0.00 C ATOM 570 C ARG A 40 10.823 -5.663 -0.189 1.00 0.00 C ATOM 571 O ARG A 40 11.418 -4.586 -0.215 1.00 0.00 O ATOM 572 CB ARG A 40 11.230 -7.155 1.777 1.00 0.00 C ATOM 573 CG ARG A 40 12.080 -7.936 0.787 1.00 0.00 C ATOM 574 CD ARG A 40 12.914 -8.998 1.486 1.00 0.00 C ATOM 575 NE ARG A 40 14.189 -8.468 1.959 1.00 0.00 N ATOM 576 CZ ARG A 40 14.340 -7.845 3.124 1.00 0.00 C ATOM 577 NH1 ARG A 40 13.299 -7.676 3.928 1.00 0.00 N ATOM 578 NH2 ARG A 40 15.533 -7.391 3.485 1.00 0.00 N ATOM 0 H ARG A 40 8.923 -7.832 1.232 1.00 0.00 H new ATOM 0 HA ARG A 40 10.045 -5.362 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.885 -6.583 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.683 -7.857 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.436 -8.408 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.736 -7.251 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.354 -9.402 2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.097 -9.825 0.800 1.00 0.00 H new ATOM 0 HE ARG A 40 15.009 -8.582 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.381 -8.024 3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.417 -7.198 4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.336 -7.520 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.648 -6.913 4.379 1.00 0.00 H new ATOM 592 N SER A 41 10.650 -6.421 -1.267 1.00 0.00 N ATOM 593 CA SER A 41 11.167 -6.023 -2.572 1.00 0.00 C ATOM 594 C SER A 41 10.422 -4.800 -3.101 1.00 0.00 C ATOM 595 O SER A 41 11.033 -3.864 -3.616 1.00 0.00 O ATOM 596 CB SER A 41 11.044 -7.178 -3.567 1.00 0.00 C ATOM 597 OG SER A 41 9.709 -7.323 -4.020 1.00 0.00 O ATOM 0 H SER A 41 10.156 -7.314 -1.263 1.00 0.00 H new ATOM 0 HA SER A 41 12.219 -5.764 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.702 -7.001 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.374 -8.104 -3.096 1.00 0.00 H new ATOM 0 HG SER A 41 9.658 -8.067 -4.656 1.00 0.00 H new ATOM 603 N ILE A 42 9.100 -4.818 -2.969 1.00 0.00 N ATOM 604 CA ILE A 42 8.272 -3.711 -3.432 1.00 0.00 C ATOM 605 C ILE A 42 8.609 -2.424 -2.686 1.00 0.00 C ATOM 606 O ILE A 42 8.688 -1.352 -3.285 1.00 0.00 O ATOM 607 CB ILE A 42 6.773 -4.017 -3.254 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.375 -5.230 -4.099 1.00 0.00 C ATOM 609 CG2 ILE A 42 5.937 -2.804 -3.632 1.00 0.00 C ATOM 610 CD1 ILE A 42 4.996 -5.764 -3.777 1.00 0.00 C ATOM 0 H ILE A 42 8.580 -5.586 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 42 8.484 -3.580 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 42 6.586 -4.250 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.413 -4.956 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.107 -6.023 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.880 -3.036 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.206 -1.963 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.125 -2.543 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.781 -6.622 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.959 -6.069 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.254 -4.986 -3.954 1.00 0.00 H new ATOM 622 N MET A 43 8.807 -2.539 -1.377 1.00 0.00 N ATOM 623 CA MET A 43 9.137 -1.384 -0.550 1.00 0.00 C ATOM 624 C MET A 43 10.557 -0.903 -0.832 1.00 0.00 C ATOM 625 O MET A 43 10.887 0.259 -0.594 1.00 0.00 O ATOM 626 CB MET A 43 8.990 -1.733 0.932 1.00 0.00 C ATOM 627 CG MET A 43 7.557 -2.027 1.347 1.00 0.00 C ATOM 628 SD MET A 43 7.353 -2.095 3.137 1.00 0.00 S ATOM 629 CE MET A 43 8.786 -3.062 3.605 1.00 0.00 C ATOM 0 H MET A 43 8.745 -3.420 -0.866 1.00 0.00 H new ATOM 0 HA MET A 43 8.443 -0.580 -0.797 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.610 -2.601 1.156 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.371 -0.906 1.531 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.900 -1.259 0.939 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.245 -2.977 0.913 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.683 -3.387 4.640 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.863 -3.935 2.957 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.685 -2.454 3.503 1.00 0.00 H new ATOM 639 N GLU A 44 11.393 -1.803 -1.341 1.00 0.00 N ATOM 640 CA GLU A 44 12.777 -1.469 -1.653 1.00 0.00 C ATOM 641 C GLU A 44 12.878 -0.783 -3.013 1.00 0.00 C ATOM 642 O GLU A 44 13.558 0.232 -3.159 1.00 0.00 O ATOM 643 CB GLU A 44 13.645 -2.729 -1.641 1.00 0.00 C ATOM 644 CG GLU A 44 15.099 -2.463 -1.289 1.00 0.00 C ATOM 645 CD GLU A 44 15.920 -3.734 -1.198 1.00 0.00 C ATOM 646 OE1 GLU A 44 15.681 -4.655 -2.006 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.801 -3.809 -0.316 1.00 0.00 O ATOM 0 H GLU A 44 11.136 -2.768 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 44 13.138 -0.780 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.231 -3.439 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.598 -3.202 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.536 -1.806 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.147 -1.935 -0.337 1.00 0.00 H new ATOM 654 N GLU A 45 12.194 -1.346 -4.005 1.00 0.00 N ATOM 655 CA GLU A 45 12.208 -0.789 -5.353 1.00 0.00 C ATOM 656 C GLU A 45 11.444 0.531 -5.405 1.00 0.00 C ATOM 657 O GLU A 45 11.795 1.435 -6.163 1.00 0.00 O ATOM 658 CB GLU A 45 11.599 -1.782 -6.345 1.00 0.00 C ATOM 659 CG GLU A 45 10.133 -2.081 -6.085 1.00 0.00 C ATOM 660 CD GLU A 45 9.562 -3.094 -7.059 1.00 0.00 C ATOM 661 OE1 GLU A 45 9.655 -2.859 -8.281 1.00 0.00 O ATOM 662 OE2 GLU A 45 9.022 -4.120 -6.597 1.00 0.00 O ATOM 0 H GLU A 45 11.624 -2.186 -3.901 1.00 0.00 H new ATOM 0 HA GLU A 45 13.245 -0.600 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.707 -1.386 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.163 -2.714 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.017 -2.455 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.560 -1.156 -6.151 1.00 0.00 H new ATOM 669 N CYS A 46 10.397 0.633 -4.593 1.00 0.00 N ATOM 670 CA CYS A 46 9.581 1.841 -4.546 1.00 0.00 C ATOM 671 C CYS A 46 10.378 3.015 -3.988 1.00 0.00 C ATOM 672 O CYS A 46 10.216 4.154 -4.425 1.00 0.00 O ATOM 673 CB CYS A 46 8.332 1.606 -3.694 1.00 0.00 C ATOM 674 SG CYS A 46 6.913 0.980 -4.621 1.00 0.00 S ATOM 0 H CYS A 46 10.094 -0.106 -3.959 1.00 0.00 H new ATOM 0 HA CYS A 46 9.277 2.083 -5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.574 0.899 -2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.053 2.543 -3.212 1.00 0.00 H new ATOM 0 HG CYS A 46 7.234 0.856 -5.875 1.00 0.00 H new ATOM 680 N GLY A 47 11.241 2.729 -3.018 1.00 0.00 N ATOM 681 CA GLY A 47 12.051 3.772 -2.414 1.00 0.00 C ATOM 682 C GLY A 47 12.376 3.485 -0.962 1.00 0.00 C ATOM 683 O GLY A 47 13.403 3.927 -0.450 1.00 0.00 O ATOM 0 H GLY A 47 11.394 1.794 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.978 3.879 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.524 4.724 -2.484 1.00 0.00 H new ATOM 687 N GLY A 48 11.494 2.746 -0.294 1.00 0.00 N ATOM 688 CA GLY A 48 11.710 2.416 1.102 1.00 0.00 C ATOM 689 C GLY A 48 10.498 2.716 1.963 1.00 0.00 C ATOM 690 O GLY A 48 10.630 3.036 3.144 1.00 0.00 O ATOM 0 H GLY A 48 10.635 2.371 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.960 1.359 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.566 2.977 1.477 1.00 0.00 H new ATOM 694 N VAL A 49 9.313 2.617 1.369 1.00 0.00 N ATOM 695 CA VAL A 49 8.072 2.881 2.088 1.00 0.00 C ATOM 696 C VAL A 49 7.797 1.797 3.124 1.00 0.00 C ATOM 697 O VAL A 49 8.416 0.733 3.104 1.00 0.00 O ATOM 698 CB VAL A 49 6.874 2.972 1.124 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.136 4.006 0.041 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.578 1.610 0.513 1.00 0.00 C ATOM 0 H VAL A 49 9.186 2.356 0.391 1.00 0.00 H new ATOM 0 HA VAL A 49 8.195 3.839 2.593 1.00 0.00 H new ATOM 0 HB VAL A 49 5.998 3.289 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.278 4.055 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.294 4.982 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.024 3.723 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.729 1.692 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.451 1.261 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.342 0.899 1.305 1.00 0.00 H new ATOM 710 N HIS A 50 6.863 2.074 4.028 1.00 0.00 N ATOM 711 CA HIS A 50 6.504 1.122 5.073 1.00 0.00 C ATOM 712 C HIS A 50 5.029 0.743 4.980 1.00 0.00 C ATOM 713 O HIS A 50 4.151 1.601 5.077 1.00 0.00 O ATOM 714 CB HIS A 50 6.806 1.709 6.453 1.00 0.00 C ATOM 715 CG HIS A 50 8.246 2.066 6.651 1.00 0.00 C ATOM 716 ND1 HIS A 50 8.953 1.739 7.788 1.00 0.00 N ATOM 717 CD2 HIS A 50 9.113 2.724 5.846 1.00 0.00 C ATOM 718 CE1 HIS A 50 10.193 2.183 7.676 1.00 0.00 C ATOM 719 NE2 HIS A 50 10.316 2.784 6.506 1.00 0.00 N ATOM 0 H HIS A 50 6.341 2.950 4.058 1.00 0.00 H new ATOM 0 HA HIS A 50 7.102 0.222 4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.196 2.600 6.601 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.510 0.990 7.217 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.899 3.127 4.867 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.973 2.073 8.415 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.166 3.221 6.151 1.00 0.00 H new ATOM 727 N ILE A 51 4.765 -0.544 4.789 1.00 0.00 N ATOM 728 CA ILE A 51 3.398 -1.036 4.682 1.00 0.00 C ATOM 729 C ILE A 51 2.954 -1.714 5.974 1.00 0.00 C ATOM 730 O ILE A 51 3.730 -2.427 6.611 1.00 0.00 O ATOM 731 CB ILE A 51 3.246 -2.031 3.516 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.795 -1.422 2.224 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.786 -2.426 3.344 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.002 -2.436 1.120 1.00 0.00 C ATOM 0 H ILE A 51 5.481 -1.266 4.705 1.00 0.00 H new ATOM 0 HA ILE A 51 2.766 -0.168 4.493 1.00 0.00 H new ATOM 0 HB ILE A 51 3.820 -2.929 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.108 -0.651 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.744 -0.930 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.694 -3.129 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.425 -2.894 4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.191 -1.537 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.393 -1.935 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.712 -3.194 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.051 -2.910 0.879 1.00 0.00 H new ATOM 746 N HIS A 52 1.701 -1.488 6.355 1.00 0.00 N ATOM 747 CA HIS A 52 1.153 -2.078 7.570 1.00 0.00 C ATOM 748 C HIS A 52 0.139 -3.167 7.236 1.00 0.00 C ATOM 749 O HIS A 52 -0.782 -2.952 6.448 1.00 0.00 O ATOM 750 CB HIS A 52 0.495 -1.001 8.434 1.00 0.00 C ATOM 751 CG HIS A 52 1.449 0.051 8.910 1.00 0.00 C ATOM 752 ND1 HIS A 52 1.459 0.529 10.203 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.430 0.716 8.257 1.00 0.00 C ATOM 754 CE1 HIS A 52 2.403 1.445 10.324 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.008 1.576 9.157 1.00 0.00 N ATOM 0 H HIS A 52 1.046 -0.900 5.839 1.00 0.00 H new ATOM 0 HA HIS A 52 1.974 -2.529 8.127 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.302 -0.525 7.863 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.029 -1.475 9.298 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.835 0.223 10.950 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.707 0.593 7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.640 1.993 11.224 1.00 0.00 H new ATOM 763 N PHE A 53 0.315 -4.339 7.839 1.00 0.00 N ATOM 764 CA PHE A 53 -0.584 -5.463 7.604 1.00 0.00 C ATOM 765 C PHE A 53 -1.108 -6.025 8.921 1.00 0.00 C ATOM 766 O PHE A 53 -0.364 -6.584 9.727 1.00 0.00 O ATOM 767 CB PHE A 53 0.135 -6.561 6.817 1.00 0.00 C ATOM 768 CG PHE A 53 0.063 -6.379 5.328 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.095 -6.691 4.634 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.152 -5.894 4.623 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.164 -6.523 3.264 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.089 -5.724 3.253 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.071 -6.039 2.572 1.00 0.00 C ATOM 0 H PHE A 53 1.072 -4.535 8.494 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.432 -5.103 7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.181 -6.588 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.298 -7.527 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.953 -7.070 5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.061 -5.646 5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.072 -6.770 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.946 -5.345 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.123 -5.907 1.501 1.00 0.00 H new ATOM 783 N PRO A 54 -2.422 -5.874 9.147 1.00 0.00 N ATOM 784 CA PRO A 54 -3.076 -6.359 10.365 1.00 0.00 C ATOM 785 C PRO A 54 -3.142 -7.881 10.421 1.00 0.00 C ATOM 786 O PRO A 54 -3.112 -8.553 9.389 1.00 0.00 O ATOM 787 CB PRO A 54 -4.485 -5.766 10.272 1.00 0.00 C ATOM 788 CG PRO A 54 -4.712 -5.558 8.814 1.00 0.00 C ATOM 789 CD PRO A 54 -3.369 -5.218 8.230 1.00 0.00 C ATOM 0 HA PRO A 54 -2.533 -6.065 11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.228 -6.442 10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.557 -4.828 10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.123 -6.455 8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.427 -4.754 8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.267 -5.593 7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.209 -4.141 8.191 1.00 0.00 H new ATOM 797 N VAL A 55 -3.234 -8.422 11.632 1.00 0.00 N ATOM 798 CA VAL A 55 -3.306 -9.866 11.821 1.00 0.00 C ATOM 799 C VAL A 55 -4.728 -10.376 11.621 1.00 0.00 C ATOM 800 O VAL A 55 -5.663 -9.902 12.264 1.00 0.00 O ATOM 801 CB VAL A 55 -2.819 -10.272 13.225 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.569 -11.772 13.291 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.562 -9.499 13.598 1.00 0.00 C ATOM 0 H VAL A 55 -3.260 -7.882 12.497 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.653 -10.317 11.073 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.599 -10.024 13.946 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.226 -12.040 14.290 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.494 -12.305 13.070 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.808 -12.047 12.560 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.232 -9.799 14.593 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.775 -9.713 12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.777 -8.430 13.594 1.00 0.00 H new ATOM 813 N GLU A 56 -4.883 -11.346 10.726 1.00 0.00 N ATOM 814 CA GLU A 56 -6.193 -11.921 10.442 1.00 0.00 C ATOM 815 C GLU A 56 -7.055 -11.957 11.700 1.00 0.00 C ATOM 816 O GLU A 56 -8.263 -11.729 11.644 1.00 0.00 O ATOM 817 CB GLU A 56 -6.041 -13.333 9.873 1.00 0.00 C ATOM 818 CG GLU A 56 -4.938 -14.141 10.533 1.00 0.00 C ATOM 819 CD GLU A 56 -5.439 -14.966 11.703 1.00 0.00 C ATOM 820 OE1 GLU A 56 -6.650 -15.269 11.740 1.00 0.00 O ATOM 821 OE2 GLU A 56 -4.620 -15.308 12.582 1.00 0.00 O ATOM 0 H GLU A 56 -4.118 -11.750 10.185 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.687 -11.290 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.986 -13.864 9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.839 -13.265 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.486 -14.802 9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.155 -13.466 10.878 1.00 0.00 H new ATOM 828 N GLY A 57 -6.425 -12.247 12.834 1.00 0.00 N ATOM 829 CA GLY A 57 -7.150 -12.309 14.090 1.00 0.00 C ATOM 830 C GLY A 57 -7.951 -11.051 14.360 1.00 0.00 C ATOM 831 O GLY A 57 -9.182 -11.080 14.366 1.00 0.00 O ATOM 0 H GLY A 57 -5.426 -12.440 12.906 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.821 -13.168 14.076 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.445 -12.469 14.906 1.00 0.00 H new ATOM 835 N SER A 58 -7.253 -9.943 14.585 1.00 0.00 N ATOM 836 CA SER A 58 -7.907 -8.670 14.863 1.00 0.00 C ATOM 837 C SER A 58 -9.177 -8.519 14.030 1.00 0.00 C ATOM 838 O SER A 58 -10.241 -8.192 14.554 1.00 0.00 O ATOM 839 CB SER A 58 -6.953 -7.509 14.575 1.00 0.00 C ATOM 840 OG SER A 58 -7.631 -6.265 14.634 1.00 0.00 O ATOM 0 H SER A 58 -6.234 -9.901 14.580 1.00 0.00 H new ATOM 0 HA SER A 58 -8.181 -8.652 15.918 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.137 -7.517 15.298 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.507 -7.637 13.589 1.00 0.00 H new ATOM 0 HG SER A 58 -6.999 -5.539 14.448 1.00 0.00 H new ATOM 846 N GLY A 59 -9.055 -8.760 12.728 1.00 0.00 N ATOM 847 CA GLY A 59 -10.200 -8.646 11.843 1.00 0.00 C ATOM 848 C GLY A 59 -10.166 -7.378 11.014 1.00 0.00 C ATOM 849 O GLY A 59 -11.209 -6.796 10.713 1.00 0.00 O ATOM 0 H GLY A 59 -8.185 -9.032 12.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.230 -9.510 11.179 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.116 -8.666 12.434 1.00 0.00 H new ATOM 853 N SER A 60 -8.966 -6.946 10.642 1.00 0.00 N ATOM 854 CA SER A 60 -8.800 -5.735 9.847 1.00 0.00 C ATOM 855 C SER A 60 -8.347 -6.073 8.430 1.00 0.00 C ATOM 856 O SER A 60 -7.314 -6.713 8.232 1.00 0.00 O ATOM 857 CB SER A 60 -7.787 -4.800 10.508 1.00 0.00 C ATOM 858 OG SER A 60 -7.604 -3.621 9.742 1.00 0.00 O ATOM 0 H SER A 60 -8.093 -7.417 10.879 1.00 0.00 H new ATOM 0 HA SER A 60 -9.765 -5.232 9.791 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.129 -4.537 11.509 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.833 -5.315 10.622 1.00 0.00 H new ATOM 0 HG SER A 60 -6.953 -3.039 10.187 1.00 0.00 H new ATOM 864 N ASP A 61 -9.130 -5.641 7.446 1.00 0.00 N ATOM 865 CA ASP A 61 -8.811 -5.896 6.047 1.00 0.00 C ATOM 866 C ASP A 61 -8.319 -4.625 5.360 1.00 0.00 C ATOM 867 O ASP A 61 -8.519 -4.437 4.160 1.00 0.00 O ATOM 868 CB ASP A 61 -10.035 -6.446 5.314 1.00 0.00 C ATOM 869 CG ASP A 61 -10.742 -7.532 6.101 1.00 0.00 C ATOM 870 OD1 ASP A 61 -10.146 -8.614 6.282 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.890 -7.301 6.534 1.00 0.00 O ATOM 0 H ASP A 61 -9.990 -5.113 7.593 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.013 -6.638 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.733 -5.632 5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.727 -6.844 4.347 1.00 0.00 H new ATOM 876 N THR A 62 -7.675 -3.754 6.131 1.00 0.00 N ATOM 877 CA THR A 62 -7.157 -2.500 5.599 1.00 0.00 C ATOM 878 C THR A 62 -5.635 -2.457 5.673 1.00 0.00 C ATOM 879 O THR A 62 -5.043 -2.836 6.683 1.00 0.00 O ATOM 880 CB THR A 62 -7.731 -1.288 6.357 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.157 -1.260 6.229 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.144 0.010 5.825 1.00 0.00 C ATOM 0 H THR A 62 -7.500 -3.894 7.126 1.00 0.00 H new ATOM 0 HA THR A 62 -7.468 -2.448 4.556 1.00 0.00 H new ATOM 0 HB THR A 62 -7.463 -1.386 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.514 -0.488 6.715 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.564 0.852 6.375 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.061 -0.002 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.385 0.112 4.767 1.00 0.00 H new ATOM 890 N VAL A 63 -5.007 -1.993 4.597 1.00 0.00 N ATOM 891 CA VAL A 63 -3.553 -1.900 4.541 1.00 0.00 C ATOM 892 C VAL A 63 -3.097 -0.445 4.509 1.00 0.00 C ATOM 893 O VAL A 63 -3.232 0.236 3.494 1.00 0.00 O ATOM 894 CB VAL A 63 -2.990 -2.630 3.307 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.478 -2.485 3.244 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.393 -4.097 3.328 1.00 0.00 C ATOM 0 H VAL A 63 -5.483 -1.676 3.752 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.170 -2.379 5.442 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.412 -2.173 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.099 -3.007 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.216 -1.429 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.034 -2.915 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.987 -4.598 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.001 -4.569 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.480 -4.176 3.321 1.00 0.00 H new ATOM 906 N VAL A 64 -2.556 0.024 5.629 1.00 0.00 N ATOM 907 CA VAL A 64 -2.077 1.397 5.728 1.00 0.00 C ATOM 908 C VAL A 64 -0.602 1.494 5.356 1.00 0.00 C ATOM 909 O VAL A 64 0.248 0.851 5.973 1.00 0.00 O ATOM 910 CB VAL A 64 -2.274 1.958 7.149 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.795 3.400 7.226 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.733 1.849 7.568 1.00 0.00 C ATOM 0 H VAL A 64 -2.439 -0.526 6.480 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.665 1.988 5.026 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.676 1.365 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.942 3.779 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.736 3.446 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.363 4.010 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.853 2.250 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.354 2.416 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.038 0.803 7.556 1.00 0.00 H new ATOM 922 N ILE A 65 -0.305 2.302 4.343 1.00 0.00 N ATOM 923 CA ILE A 65 1.068 2.484 3.890 1.00 0.00 C ATOM 924 C ILE A 65 1.585 3.873 4.247 1.00 0.00 C ATOM 925 O ILE A 65 0.813 4.825 4.354 1.00 0.00 O ATOM 926 CB ILE A 65 1.191 2.278 2.368 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.584 0.933 1.964 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.648 2.358 1.938 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.354 0.798 0.474 1.00 0.00 C ATOM 0 H ILE A 65 -0.997 2.840 3.821 1.00 0.00 H new ATOM 0 HA ILE A 65 1.671 1.732 4.400 1.00 0.00 H new ATOM 0 HB ILE A 65 0.640 3.071 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.244 0.131 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.365 0.801 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.718 2.210 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.051 3.337 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.221 1.584 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.078 -0.180 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.330 1.578 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.304 0.898 -0.051 1.00 0.00 H new ATOM 941 N ARG A 66 2.898 3.981 4.428 1.00 0.00 N ATOM 942 CA ARG A 66 3.519 5.255 4.772 1.00 0.00 C ATOM 943 C ARG A 66 4.740 5.518 3.897 1.00 0.00 C ATOM 944 O ARG A 66 5.412 4.587 3.454 1.00 0.00 O ATOM 945 CB ARG A 66 3.923 5.266 6.247 1.00 0.00 C ATOM 946 CG ARG A 66 2.817 5.735 7.178 1.00 0.00 C ATOM 947 CD ARG A 66 3.001 5.186 8.584 1.00 0.00 C ATOM 948 NE ARG A 66 4.253 5.636 9.188 1.00 0.00 N ATOM 949 CZ ARG A 66 4.481 5.629 10.497 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.547 5.198 11.334 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.644 6.054 10.971 1.00 0.00 N ATOM 0 H ARG A 66 3.551 3.202 4.342 1.00 0.00 H new ATOM 0 HA ARG A 66 2.790 6.046 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.230 4.262 6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.791 5.913 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.805 6.824 7.210 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.851 5.417 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.164 5.500 9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.985 4.097 8.553 1.00 0.00 H new ATOM 0 HE ARG A 66 4.992 5.974 8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.651 4.871 10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.725 5.194 12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.365 6.387 10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.818 6.048 11.976 1.00 0.00 H new ATOM 965 N GLY A 67 5.022 6.794 3.650 1.00 0.00 N ATOM 966 CA GLY A 67 6.162 7.157 2.828 1.00 0.00 C ATOM 967 C GLY A 67 5.857 8.309 1.891 1.00 0.00 C ATOM 968 O GLY A 67 4.788 8.916 1.946 1.00 0.00 O ATOM 0 H GLY A 67 4.481 7.583 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.999 7.428 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.476 6.291 2.245 1.00 0.00 H new ATOM 972 N PRO A 68 6.815 8.627 1.008 1.00 0.00 N ATOM 973 CA PRO A 68 6.668 9.717 0.039 1.00 0.00 C ATOM 974 C PRO A 68 5.641 9.398 -1.041 1.00 0.00 C ATOM 975 O PRO A 68 5.816 8.460 -1.819 1.00 0.00 O ATOM 976 CB PRO A 68 8.066 9.841 -0.572 1.00 0.00 C ATOM 977 CG PRO A 68 8.676 8.492 -0.398 1.00 0.00 C ATOM 978 CD PRO A 68 8.116 7.947 0.887 1.00 0.00 C ATOM 0 HA PRO A 68 6.311 10.634 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.015 10.120 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.652 10.609 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.431 7.842 -1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.763 8.558 -0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.001 6.864 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.765 8.168 1.734 1.00 0.00 H new ATOM 986 N SER A 69 4.569 10.184 -1.084 1.00 0.00 N ATOM 987 CA SER A 69 3.512 9.981 -2.069 1.00 0.00 C ATOM 988 C SER A 69 4.092 9.517 -3.401 1.00 0.00 C ATOM 989 O SER A 69 3.636 8.531 -3.979 1.00 0.00 O ATOM 990 CB SER A 69 2.718 11.274 -2.267 1.00 0.00 C ATOM 991 OG SER A 69 3.572 12.348 -2.620 1.00 0.00 O ATOM 0 H SER A 69 4.410 10.966 -0.449 1.00 0.00 H new ATOM 0 HA SER A 69 2.844 9.205 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.970 11.129 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.181 11.519 -1.351 1.00 0.00 H new ATOM 0 HG SER A 69 3.040 13.162 -2.743 1.00 0.00 H new ATOM 997 N SER A 70 5.101 10.236 -3.882 1.00 0.00 N ATOM 998 CA SER A 70 5.742 9.902 -5.149 1.00 0.00 C ATOM 999 C SER A 70 5.930 8.394 -5.281 1.00 0.00 C ATOM 1000 O SER A 70 5.630 7.808 -6.321 1.00 0.00 O ATOM 1001 CB SER A 70 7.094 10.608 -5.263 1.00 0.00 C ATOM 1002 OG SER A 70 7.559 10.606 -6.601 1.00 0.00 O ATOM 0 H SER A 70 5.492 11.053 -3.414 1.00 0.00 H new ATOM 0 HA SER A 70 5.094 10.242 -5.957 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.003 11.635 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.822 10.112 -4.621 1.00 0.00 H new ATOM 0 HG SER A 70 8.424 11.065 -6.647 1.00 0.00 H new ATOM 1008 N ASP A 71 6.429 7.771 -4.219 1.00 0.00 N ATOM 1009 CA ASP A 71 6.657 6.330 -4.214 1.00 0.00 C ATOM 1010 C ASP A 71 5.389 5.581 -3.816 1.00 0.00 C ATOM 1011 O ASP A 71 5.013 4.596 -4.451 1.00 0.00 O ATOM 1012 CB ASP A 71 7.795 5.976 -3.256 1.00 0.00 C ATOM 1013 CG ASP A 71 9.031 6.825 -3.486 1.00 0.00 C ATOM 1014 OD1 ASP A 71 8.927 7.842 -4.204 1.00 0.00 O ATOM 1015 OD2 ASP A 71 10.100 6.473 -2.947 1.00 0.00 O ATOM 0 H ASP A 71 6.683 8.241 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 71 6.935 6.027 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.455 6.106 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.053 4.924 -3.376 1.00 0.00 H new ATOM 1020 N VAL A 72 4.734 6.055 -2.761 1.00 0.00 N ATOM 1021 CA VAL A 72 3.508 5.430 -2.278 1.00 0.00 C ATOM 1022 C VAL A 72 2.566 5.104 -3.431 1.00 0.00 C ATOM 1023 O VAL A 72 2.063 3.987 -3.537 1.00 0.00 O ATOM 1024 CB VAL A 72 2.776 6.336 -1.270 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.527 5.646 -0.742 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.704 6.723 -0.129 1.00 0.00 C ATOM 0 H VAL A 72 5.032 6.870 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 72 3.799 4.506 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 72 2.470 7.248 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.023 6.301 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.855 5.425 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.807 4.717 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.170 7.363 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.043 5.824 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.565 7.260 -0.527 1.00 0.00 H new ATOM 1036 N GLU A 73 2.332 6.090 -4.293 1.00 0.00 N ATOM 1037 CA GLU A 73 1.449 5.907 -5.438 1.00 0.00 C ATOM 1038 C GLU A 73 1.834 4.661 -6.230 1.00 0.00 C ATOM 1039 O GLU A 73 0.972 3.930 -6.717 1.00 0.00 O ATOM 1040 CB GLU A 73 1.496 7.137 -6.348 1.00 0.00 C ATOM 1041 CG GLU A 73 2.692 7.155 -7.286 1.00 0.00 C ATOM 1042 CD GLU A 73 3.015 8.546 -7.795 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.872 9.511 -7.015 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.410 8.669 -8.973 1.00 0.00 O ATOM 0 H GLU A 73 2.741 7.021 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 73 0.434 5.779 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.581 7.177 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.516 8.035 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.562 6.751 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.494 6.499 -8.134 1.00 0.00 H new ATOM 1051 N LYS A 74 3.136 4.425 -6.353 1.00 0.00 N ATOM 1052 CA LYS A 74 3.639 3.268 -7.084 1.00 0.00 C ATOM 1053 C LYS A 74 3.470 1.993 -6.265 1.00 0.00 C ATOM 1054 O LYS A 74 3.104 0.946 -6.798 1.00 0.00 O ATOM 1055 CB LYS A 74 5.113 3.466 -7.442 1.00 0.00 C ATOM 1056 CG LYS A 74 5.374 4.707 -8.279 1.00 0.00 C ATOM 1057 CD LYS A 74 6.862 4.941 -8.480 1.00 0.00 C ATOM 1058 CE LYS A 74 7.451 3.954 -9.476 1.00 0.00 C ATOM 1059 NZ LYS A 74 7.325 4.438 -10.878 1.00 0.00 N ATOM 0 H LYS A 74 3.863 5.020 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 74 3.060 3.169 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.696 3.528 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.467 2.590 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.887 4.602 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.931 5.575 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.027 5.959 -8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.379 4.848 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.503 3.787 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.946 2.993 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.738 3.737 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.320 4.573 -11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.829 5.342 -10.980 1.00 0.00 H new ATOM 1073 N ALA A 75 3.740 2.088 -4.967 1.00 0.00 N ATOM 1074 CA ALA A 75 3.616 0.943 -4.075 1.00 0.00 C ATOM 1075 C ALA A 75 2.183 0.422 -4.048 1.00 0.00 C ATOM 1076 O ALA A 75 1.952 -0.787 -3.976 1.00 0.00 O ATOM 1077 CB ALA A 75 4.070 1.316 -2.671 1.00 0.00 C ATOM 0 H ALA A 75 4.046 2.947 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 75 4.258 0.147 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.972 0.451 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.112 1.635 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.452 2.130 -2.293 1.00 0.00 H new ATOM 1083 N LYS A 76 1.223 1.339 -4.105 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.188 0.972 -4.088 1.00 0.00 C ATOM 1085 C LYS A 76 -0.563 0.194 -5.346 1.00 0.00 C ATOM 1086 O LYS A 76 -1.083 -0.920 -5.268 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.060 2.224 -3.970 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.549 1.941 -4.077 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.376 3.120 -3.595 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.824 3.005 -4.043 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.458 4.341 -4.223 1.00 0.00 N ATOM 0 H LYS A 76 1.397 2.342 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.362 0.333 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.859 2.708 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.776 2.929 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.804 1.716 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.796 1.057 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.334 3.175 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.948 4.047 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.871 2.452 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.387 2.432 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.445 4.219 -4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.437 4.860 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.936 4.879 -4.944 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.295 0.787 -6.504 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.602 0.150 -7.780 1.00 0.00 C ATOM 1107 C LYS A 77 0.028 -1.238 -7.860 1.00 0.00 C ATOM 1108 O LYS A 77 -0.505 -2.133 -8.516 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.103 1.015 -8.939 1.00 0.00 C ATOM 1110 CG LYS A 77 1.399 0.943 -9.149 1.00 0.00 C ATOM 1111 CD LYS A 77 1.779 1.286 -10.580 1.00 0.00 C ATOM 1112 CE LYS A 77 3.191 0.826 -10.907 1.00 0.00 C ATOM 1113 NZ LYS A 77 4.205 1.864 -10.569 1.00 0.00 N ATOM 0 H LYS A 77 0.135 1.709 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.684 0.044 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.605 0.704 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.387 2.051 -8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.896 1.630 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.753 -0.059 -8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.074 0.817 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.702 2.363 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.411 -0.089 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.258 0.585 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.677 2.185 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.736 2.672 -10.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.911 1.461 -9.920 1.00 0.00 H new ATOM 1127 N GLN A 78 1.161 -1.408 -7.186 1.00 0.00 N ATOM 1128 CA GLN A 78 1.861 -2.687 -7.182 1.00 0.00 C ATOM 1129 C GLN A 78 1.153 -3.692 -6.280 1.00 0.00 C ATOM 1130 O GLN A 78 0.986 -4.857 -6.643 1.00 0.00 O ATOM 1131 CB GLN A 78 3.307 -2.499 -6.720 1.00 0.00 C ATOM 1132 CG GLN A 78 4.199 -1.843 -7.761 1.00 0.00 C ATOM 1133 CD GLN A 78 5.402 -1.153 -7.149 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.410 0.066 -6.973 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.426 -1.930 -6.819 1.00 0.00 N ATOM 0 H GLN A 78 1.613 -0.677 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 78 1.860 -3.077 -8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.314 -1.893 -5.814 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.725 -3.471 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.540 -2.598 -8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.616 -1.115 -8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.377 -2.936 -6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.262 -1.522 -6.402 1.00 0.00 H new ATOM 1144 N LEU A 79 0.738 -3.235 -5.104 1.00 0.00 N ATOM 1145 CA LEU A 79 0.047 -4.094 -4.149 1.00 0.00 C ATOM 1146 C LEU A 79 -1.304 -4.541 -4.697 1.00 0.00 C ATOM 1147 O LEU A 79 -1.637 -5.727 -4.668 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.146 -3.362 -2.820 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.163 -4.238 -1.567 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.247 -4.424 -1.026 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.067 -3.631 -0.504 1.00 0.00 C ATOM 0 H LEU A 79 0.868 -2.274 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 79 0.662 -4.979 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.652 -2.627 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.085 -2.810 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.559 -5.217 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.215 -5.050 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.867 -4.903 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.670 -3.452 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.067 -4.268 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.700 -2.640 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.082 -3.550 -0.893 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.079 -3.585 -5.198 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.393 -3.880 -5.755 1.00 0.00 C ATOM 1165 C LEU A 80 -3.287 -4.881 -6.902 1.00 0.00 C ATOM 1166 O LEU A 80 -3.986 -5.895 -6.922 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.061 -2.595 -6.246 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.923 -1.853 -5.224 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.049 -1.053 -4.270 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.920 -0.943 -5.926 1.00 0.00 C ATOM 0 H LEU A 80 -1.819 -2.599 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.003 -4.322 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.283 -1.916 -6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.683 -2.839 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.480 -2.589 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.679 -0.531 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.375 -1.727 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.465 -0.326 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.524 -0.423 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.383 -0.213 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.568 -1.540 -6.568 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.407 -4.591 -7.854 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.206 -5.467 -9.002 1.00 0.00 C ATOM 1184 C HIS A 81 -1.952 -6.904 -8.552 1.00 0.00 C ATOM 1185 O HIS A 81 -2.581 -7.840 -9.046 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.034 -4.972 -9.850 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.058 -5.480 -11.259 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.161 -5.373 -12.080 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.104 -6.098 -11.993 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.886 -5.906 -13.257 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.642 -6.353 -13.230 1.00 0.00 N ATOM 0 H HIS A 81 -1.821 -3.756 -7.853 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.114 -5.448 -9.605 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.042 -3.882 -9.865 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.100 -5.277 -9.378 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.895 -6.345 -11.666 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.562 -5.966 -14.097 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.160 -6.813 -14.003 1.00 0.00 H new ATOM 1199 N LEU A 82 -1.026 -7.069 -7.614 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.689 -8.391 -7.098 1.00 0.00 C ATOM 1201 C LEU A 82 -1.861 -8.991 -6.327 1.00 0.00 C ATOM 1202 O LEU A 82 -2.432 -10.002 -6.733 1.00 0.00 O ATOM 1203 CB LEU A 82 0.543 -8.309 -6.195 1.00 0.00 C ATOM 1204 CG LEU A 82 1.806 -7.732 -6.834 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.807 -7.324 -5.763 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.427 -8.739 -7.791 1.00 0.00 C ATOM 0 H LEU A 82 -0.496 -6.305 -7.196 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.467 -9.039 -7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.291 -7.703 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.769 -9.311 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 82 1.530 -6.844 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.700 -6.915 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.361 -6.568 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.079 -8.196 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.325 -8.311 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.689 -9.646 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.712 -8.982 -8.577 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.213 -8.358 -5.213 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.320 -8.826 -4.387 1.00 0.00 C ATOM 1220 C ALA A 83 -4.441 -9.400 -5.246 1.00 0.00 C ATOM 1221 O ALA A 83 -4.915 -10.509 -5.002 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.845 -7.693 -3.518 1.00 0.00 C ATOM 0 H ALA A 83 -1.748 -7.521 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.949 -9.622 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.671 -8.056 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.046 -7.331 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.194 -6.879 -4.153 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.862 -8.638 -6.250 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.930 -9.072 -7.143 1.00 0.00 C ATOM 1230 C GLU A 84 -5.472 -10.242 -8.009 1.00 0.00 C ATOM 1231 O GLU A 84 -6.195 -11.225 -8.173 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.383 -7.912 -8.033 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.871 -6.702 -7.254 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.350 -6.778 -6.926 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -9.167 -6.795 -7.870 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.688 -6.817 -5.725 1.00 0.00 O ATOM 0 H GLU A 84 -4.480 -7.717 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.770 -9.401 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.554 -7.611 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.182 -8.258 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.301 -6.616 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.677 -5.799 -7.833 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.268 -10.129 -8.561 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.716 -11.177 -9.411 1.00 0.00 C ATOM 1245 C GLU A 85 -3.722 -12.521 -8.690 1.00 0.00 C ATOM 1246 O GLU A 85 -4.247 -13.511 -9.200 1.00 0.00 O ATOM 1247 CB GLU A 85 -2.289 -10.820 -9.836 1.00 0.00 C ATOM 1248 CG GLU A 85 -2.226 -9.923 -11.059 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.573 -10.656 -12.341 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -2.048 -11.771 -12.546 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -3.368 -10.117 -13.137 1.00 0.00 O ATOM 0 H GLU A 85 -3.657 -9.322 -8.435 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.343 -11.258 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.785 -10.325 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.739 -11.739 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.912 -9.086 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.224 -9.503 -11.145 1.00 0.00 H new ATOM 1258 N LYS A 86 -3.135 -12.550 -7.498 1.00 0.00 N ATOM 1259 CA LYS A 86 -3.073 -13.771 -6.705 1.00 0.00 C ATOM 1260 C LYS A 86 -4.362 -14.574 -6.840 1.00 0.00 C ATOM 1261 O LYS A 86 -4.339 -15.740 -7.233 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.820 -13.435 -5.233 1.00 0.00 C ATOM 1263 CG LYS A 86 -1.515 -12.697 -4.993 1.00 0.00 C ATOM 1264 CD LYS A 86 -0.343 -13.657 -4.884 1.00 0.00 C ATOM 1265 CE LYS A 86 0.988 -12.926 -4.983 1.00 0.00 C ATOM 1266 NZ LYS A 86 1.152 -11.924 -3.895 1.00 0.00 N ATOM 0 H LYS A 86 -2.695 -11.741 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.248 -14.377 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.645 -12.827 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.817 -14.358 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.337 -11.996 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.591 -12.109 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.396 -14.191 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.409 -14.404 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.803 -13.648 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.057 -12.427 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.163 -11.721 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.654 -11.048 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.753 -12.302 -3.012 1.00 0.00 H new