USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 490 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 48 CYS SG : rot 172:sc= -0.933 USER MOD Set 1.2: A 50 HIS : no HE2:sc= 0.0184 K(o=-1.5,f=-4.5) USER MOD Set 1.3: A 67 CYS SG : rot 50:sc= 0.349 USER MOD Set 1.4: A 70 CYS SG : rot -49:sc= -0.968 USER MOD Set 2.1: A 18 CYS SG : rot 30:sc= -0.919 USER MOD Set 2.2: A 21 CYS SG : rot -55:sc= -0.914 USER MOD Set 2.3: A 29 CYS SG : rot -124:sc= -1.46 USER MOD Set 2.4: A 32 CYS SG : rot 148:sc= 0.0409 USER MOD Set 2.5: A 41 CYS SG : rot -90:sc= 0.314 USER MOD Set 2.6: A 53 HIS : +bothHN:sc= 0.207 K(o=-3.1,f=-13!) USER MOD Set 2.7: A 55 CYS SG : rot -120:sc= 0.965 USER MOD Set 2.8: A 56 CYS SG : rot 37:sc= -1.3 USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 26 MET CE :methyl -153:sc= -0.453 (180deg=-1.4!) USER MOD Single : A 33 GLN : amide:sc= 0.241 K(o=0.24,f=-0.58) USER MOD Single : A 36 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.45) USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -0.504 (180deg=-1.87!) USER MOD Single : A 38 GLN : amide:sc= -0.0223 K(o=-0.022,f=-0.88) USER MOD Single : A 49 ASN : amide:sc= -4.14! C(o=-4.1!,f=-5.5!) USER MOD Single : A 51 SER OG : rot -170:sc= -0.0825 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.156 F(o=-2.7!,f=-0.16) USER MOD Single : A 57 MET CE :methyl 147:sc= -0.15 (180deg=-1.81) USER MOD Single : A 58 SER OG : rot -44:sc= 1.13 USER MOD Single : A 62 LYS NZ :NH3+ -135:sc= -0.577 (180deg=-2.61!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.789 F(o=-1.6!,f=-0.79) USER MOD Single : A 64 ASN : amide:sc= 0.167 K(o=0.17,f=-1.6!) USER MOD Single : A 65 ASN : amide:sc= -0.885 X(o=-0.89,f=-1) USER MOD Single : A 71 GLN : amide:sc= -6.21! C(o=-6.2!,f=-8.2!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.4) USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= -0.112 (180deg=-0.901) USER MOD ----------------------------------------------------------------- ATOM 208 N THR A 17 8.068 -6.518 -0.238 1.00 0.00 N ATOM 209 CA THR A 17 6.995 -5.892 0.523 1.00 0.00 C ATOM 210 C THR A 17 7.303 -4.425 0.804 1.00 0.00 C ATOM 211 O THR A 17 8.195 -4.107 1.590 1.00 0.00 O ATOM 212 CB THR A 17 6.757 -6.619 1.860 1.00 0.00 C ATOM 213 OG1 THR A 17 6.227 -7.927 1.618 1.00 0.00 O ATOM 214 CG2 THR A 17 5.797 -5.833 2.741 1.00 0.00 C ATOM 0 HA THR A 17 6.094 -5.961 -0.086 1.00 0.00 H new ATOM 0 HB THR A 17 7.713 -6.704 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.080 -8.384 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.645 -6.366 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.216 -4.848 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.842 -5.721 2.228 1.00 0.00 H new ATOM 222 N CYS A 18 6.558 -3.535 0.156 1.00 0.00 N ATOM 223 CA CYS A 18 6.751 -2.101 0.336 1.00 0.00 C ATOM 224 C CYS A 18 7.025 -1.768 1.800 1.00 0.00 C ATOM 225 O CYS A 18 6.148 -1.906 2.652 1.00 0.00 O ATOM 226 CB CYS A 18 5.520 -1.335 -0.152 1.00 0.00 C ATOM 227 SG CYS A 18 5.642 0.472 0.046 1.00 0.00 S ATOM 0 H CYS A 18 5.815 -3.782 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 18 7.616 -1.799 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.357 -1.564 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.645 -1.691 0.391 1.00 0.00 H new ATOM 0 HG CYS A 18 6.887 0.835 -0.041 1.00 0.00 H new ATOM 232 N ALA A 19 8.247 -1.329 2.083 1.00 0.00 N ATOM 233 CA ALA A 19 8.635 -0.974 3.442 1.00 0.00 C ATOM 234 C ALA A 19 7.970 0.326 3.881 1.00 0.00 C ATOM 235 O ALA A 19 7.741 0.545 5.071 1.00 0.00 O ATOM 236 CB ALA A 19 10.149 -0.856 3.544 1.00 0.00 C ATOM 0 H ALA A 19 8.985 -1.211 1.389 1.00 0.00 H new ATOM 0 HA ALA A 19 8.297 -1.767 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.425 -0.590 4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.607 -1.809 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.501 -0.084 2.860 1.00 0.00 H new ATOM 242 N ILE A 20 7.663 1.184 2.914 1.00 0.00 N ATOM 243 CA ILE A 20 7.024 2.462 3.202 1.00 0.00 C ATOM 244 C ILE A 20 5.741 2.267 4.003 1.00 0.00 C ATOM 245 O ILE A 20 5.533 2.913 5.031 1.00 0.00 O ATOM 246 CB ILE A 20 6.697 3.232 1.909 1.00 0.00 C ATOM 247 CG1 ILE A 20 7.956 3.397 1.056 1.00 0.00 C ATOM 248 CG2 ILE A 20 6.093 4.589 2.239 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.665 3.687 -0.400 1.00 0.00 C ATOM 0 H ILE A 20 7.846 1.017 1.925 1.00 0.00 H new ATOM 0 HA ILE A 20 7.733 3.043 3.792 1.00 0.00 H new ATOM 0 HB ILE A 20 5.966 2.660 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.559 4.207 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.554 2.488 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.867 5.121 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.176 4.450 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.803 5.170 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.603 3.792 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.088 2.866 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.094 4.612 -0.480 1.00 0.00 H new ATOM 261 N CYS A 21 4.883 1.371 3.526 1.00 0.00 N ATOM 262 CA CYS A 21 3.620 1.088 4.197 1.00 0.00 C ATOM 263 C CYS A 21 3.620 -0.320 4.786 1.00 0.00 C ATOM 264 O CYS A 21 2.763 -0.663 5.599 1.00 0.00 O ATOM 265 CB CYS A 21 2.453 1.244 3.220 1.00 0.00 C ATOM 266 SG CYS A 21 2.461 0.039 1.854 1.00 0.00 S ATOM 0 H CYS A 21 5.040 0.828 2.677 1.00 0.00 H new ATOM 0 HA CYS A 21 3.502 1.803 5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.517 1.147 3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.475 2.251 2.802 1.00 0.00 H new ATOM 0 HG CYS A 21 3.602 0.094 1.233 1.00 0.00 H new ATOM 271 N ARG A 22 4.588 -1.130 4.368 1.00 0.00 N ATOM 272 CA ARG A 22 4.699 -2.500 4.853 1.00 0.00 C ATOM 273 C ARG A 22 3.584 -3.371 4.282 1.00 0.00 C ATOM 274 O ARG A 22 3.053 -4.246 4.966 1.00 0.00 O ATOM 275 CB ARG A 22 4.651 -2.528 6.382 1.00 0.00 C ATOM 276 CG ARG A 22 5.547 -1.491 7.039 1.00 0.00 C ATOM 277 CD ARG A 22 7.007 -1.914 7.004 1.00 0.00 C ATOM 278 NE ARG A 22 7.237 -3.151 7.746 1.00 0.00 N ATOM 279 CZ ARG A 22 8.414 -3.492 8.259 1.00 0.00 C ATOM 280 NH1 ARG A 22 9.462 -2.693 8.112 1.00 0.00 N ATOM 281 NH2 ARG A 22 8.543 -4.634 8.922 1.00 0.00 N ATOM 0 H ARG A 22 5.306 -0.861 3.695 1.00 0.00 H new ATOM 0 HA ARG A 22 5.656 -2.901 4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.623 -2.366 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.943 -3.520 6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.432 -0.534 6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.235 -1.341 8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.321 -2.049 5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.625 -1.120 7.423 1.00 0.00 H new ATOM 0 HE ARG A 22 6.451 -3.788 7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.366 -1.814 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.364 -2.958 8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.738 -5.250 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.447 -4.896 9.316 1.00 0.00 H new ATOM 295 N VAL A 23 3.233 -3.125 3.024 1.00 0.00 N ATOM 296 CA VAL A 23 2.182 -3.886 2.360 1.00 0.00 C ATOM 297 C VAL A 23 2.698 -4.539 1.083 1.00 0.00 C ATOM 298 O VAL A 23 3.617 -4.029 0.442 1.00 0.00 O ATOM 299 CB VAL A 23 0.974 -2.994 2.016 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.118 -3.810 1.341 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.444 -2.310 3.267 1.00 0.00 C ATOM 0 H VAL A 23 3.662 -2.404 2.444 1.00 0.00 H new ATOM 0 HA VAL A 23 1.865 -4.661 3.058 1.00 0.00 H new ATOM 0 HB VAL A 23 1.301 -2.223 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.963 -3.163 1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.271 -4.248 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.445 -4.605 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.409 -1.684 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.133 -3.064 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.228 -1.691 3.703 1.00 0.00 H new ATOM 311 N GLN A 24 2.101 -5.669 0.718 1.00 0.00 N ATOM 312 CA GLN A 24 2.501 -6.391 -0.483 1.00 0.00 C ATOM 313 C GLN A 24 2.636 -5.442 -1.669 1.00 0.00 C ATOM 314 O GLN A 24 1.639 -4.991 -2.233 1.00 0.00 O ATOM 315 CB GLN A 24 1.486 -7.489 -0.806 1.00 0.00 C ATOM 316 CG GLN A 24 1.492 -8.635 0.192 1.00 0.00 C ATOM 317 CD GLN A 24 2.453 -9.741 -0.195 1.00 0.00 C ATOM 318 OE1 GLN A 24 3.748 -9.470 -0.073 1.00 0.00 O flip ATOM 319 NE2 GLN A 24 2.038 -10.828 -0.598 1.00 0.00 N flip ATOM 0 H GLN A 24 1.338 -6.104 1.237 1.00 0.00 H new ATOM 0 HA GLN A 24 3.472 -6.848 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.488 -7.052 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.694 -7.883 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.762 -8.253 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.486 -9.046 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.035 -10.994 -0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.698 -11.563 -0.853 1.00 0.00 H new ATOM 328 N VAL A 25 3.876 -5.142 -2.043 1.00 0.00 N ATOM 329 CA VAL A 25 4.142 -4.247 -3.163 1.00 0.00 C ATOM 330 C VAL A 25 3.299 -4.621 -4.377 1.00 0.00 C ATOM 331 O VAL A 25 2.900 -3.757 -5.158 1.00 0.00 O ATOM 332 CB VAL A 25 5.630 -4.269 -3.559 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.119 -5.701 -3.717 1.00 0.00 C ATOM 334 CG2 VAL A 25 5.853 -3.476 -4.838 1.00 0.00 C ATOM 0 H VAL A 25 4.712 -5.506 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 25 3.876 -3.242 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 25 6.207 -3.799 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.172 -5.697 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.996 -6.234 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.539 -6.200 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.910 -3.502 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.266 -3.914 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.543 -2.442 -4.684 1.00 0.00 H new ATOM 344 N MET A 26 3.030 -5.913 -4.529 1.00 0.00 N ATOM 345 CA MET A 26 2.232 -6.401 -5.648 1.00 0.00 C ATOM 346 C MET A 26 0.773 -5.983 -5.499 1.00 0.00 C ATOM 347 O MET A 26 0.092 -5.710 -6.487 1.00 0.00 O ATOM 348 CB MET A 26 2.330 -7.925 -5.746 1.00 0.00 C ATOM 349 CG MET A 26 3.760 -8.440 -5.797 1.00 0.00 C ATOM 350 SD MET A 26 4.578 -8.063 -7.359 1.00 0.00 S ATOM 351 CE MET A 26 3.385 -8.705 -8.530 1.00 0.00 C ATOM 0 H MET A 26 3.353 -6.641 -3.892 1.00 0.00 H new ATOM 0 HA MET A 26 2.627 -5.959 -6.563 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.823 -8.369 -4.890 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.800 -8.258 -6.638 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.330 -8.001 -4.978 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.759 -9.519 -5.643 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.896 -8.992 -9.449 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.889 -9.576 -8.103 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.644 -7.937 -8.752 1.00 0.00 H new ATOM 361 N ASP A 27 0.300 -5.935 -4.258 1.00 0.00 N ATOM 362 CA ASP A 27 -1.078 -5.548 -3.980 1.00 0.00 C ATOM 363 C ASP A 27 -1.166 -4.068 -3.621 1.00 0.00 C ATOM 364 O ASP A 27 -0.147 -3.393 -3.475 1.00 0.00 O ATOM 365 CB ASP A 27 -1.648 -6.396 -2.842 1.00 0.00 C ATOM 366 CG ASP A 27 -1.830 -7.849 -3.237 1.00 0.00 C ATOM 367 OD1 ASP A 27 -2.132 -8.108 -4.420 1.00 0.00 O ATOM 368 OD2 ASP A 27 -1.671 -8.726 -2.362 1.00 0.00 O ATOM 0 H ASP A 27 0.851 -6.159 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.666 -5.720 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.983 -6.337 -1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.608 -5.984 -2.532 1.00 0.00 H new ATOM 373 N ALA A 28 -2.390 -3.570 -3.481 1.00 0.00 N ATOM 374 CA ALA A 28 -2.611 -2.170 -3.139 1.00 0.00 C ATOM 375 C ALA A 28 -2.313 -1.912 -1.666 1.00 0.00 C ATOM 376 O ALA A 28 -2.494 -2.790 -0.822 1.00 0.00 O ATOM 377 CB ALA A 28 -4.040 -1.765 -3.469 1.00 0.00 C ATOM 0 H ALA A 28 -3.244 -4.115 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.927 -1.564 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.191 -0.717 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.220 -1.903 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.734 -2.384 -2.900 1.00 0.00 H new ATOM 383 N CYS A 29 -1.854 -0.702 -1.363 1.00 0.00 N ATOM 384 CA CYS A 29 -1.529 -0.328 0.008 1.00 0.00 C ATOM 385 C CYS A 29 -2.796 -0.047 0.810 1.00 0.00 C ATOM 386 O CYS A 29 -3.861 0.201 0.242 1.00 0.00 O ATOM 387 CB CYS A 29 -0.620 0.903 0.021 1.00 0.00 C ATOM 388 SG CYS A 29 -1.336 2.365 -0.796 1.00 0.00 S ATOM 0 H CYS A 29 -1.699 0.036 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.005 -1.164 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.385 1.157 1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.321 0.651 -0.468 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.529 2.781 -1.726 1.00 0.00 H new ATOM 393 N LEU A 30 -2.674 -0.086 2.132 1.00 0.00 N ATOM 394 CA LEU A 30 -3.809 0.165 3.013 1.00 0.00 C ATOM 395 C LEU A 30 -4.463 1.505 2.690 1.00 0.00 C ATOM 396 O LEU A 30 -5.582 1.781 3.123 1.00 0.00 O ATOM 397 CB LEU A 30 -3.360 0.143 4.475 1.00 0.00 C ATOM 398 CG LEU A 30 -3.356 -1.226 5.156 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.654 -1.151 6.502 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.778 -1.743 5.322 1.00 0.00 C ATOM 0 H LEU A 30 -1.800 -0.289 2.618 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.543 -0.625 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.353 0.557 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.010 0.807 5.044 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.808 -1.924 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.661 -2.135 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.624 -0.825 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.173 -0.439 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.756 -2.718 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.350 -1.045 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.248 -1.836 4.343 1.00 0.00 H new ATOM 412 N ARG A 31 -3.758 2.333 1.926 1.00 0.00 N ATOM 413 CA ARG A 31 -4.271 3.643 1.544 1.00 0.00 C ATOM 414 C ARG A 31 -5.134 3.545 0.290 1.00 0.00 C ATOM 415 O ARG A 31 -6.171 4.200 0.184 1.00 0.00 O ATOM 416 CB ARG A 31 -3.115 4.617 1.307 1.00 0.00 C ATOM 417 CG ARG A 31 -2.137 4.697 2.468 1.00 0.00 C ATOM 418 CD ARG A 31 -0.987 3.716 2.296 1.00 0.00 C ATOM 419 NE ARG A 31 0.126 4.016 3.193 1.00 0.00 N ATOM 420 CZ ARG A 31 0.130 3.715 4.486 1.00 0.00 C ATOM 421 NH1 ARG A 31 -0.914 3.107 5.032 1.00 0.00 N ATOM 422 NH2 ARG A 31 1.181 4.020 5.237 1.00 0.00 N ATOM 0 H ARG A 31 -2.830 2.120 1.560 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.890 4.016 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.576 4.316 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.521 5.610 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.744 5.711 2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.660 4.487 3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.343 2.703 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.638 3.743 1.264 1.00 0.00 H new ATOM 0 HE ARG A 31 0.946 4.483 2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.723 2.869 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.908 2.877 6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.987 4.486 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.183 3.788 6.230 1.00 0.00 H new ATOM 436 N CYS A 32 -4.697 2.724 -0.659 1.00 0.00 N ATOM 437 CA CYS A 32 -5.428 2.540 -1.907 1.00 0.00 C ATOM 438 C CYS A 32 -6.585 1.563 -1.722 1.00 0.00 C ATOM 439 O CYS A 32 -7.654 1.733 -2.308 1.00 0.00 O ATOM 440 CB CYS A 32 -4.488 2.033 -3.003 1.00 0.00 C ATOM 441 SG CYS A 32 -3.310 3.283 -3.609 1.00 0.00 S ATOM 0 H CYS A 32 -3.840 2.175 -0.587 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.836 3.506 -2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.930 1.178 -2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.085 1.675 -3.842 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.204 2.700 -3.966 1.00 0.00 H new ATOM 446 N GLN A 33 -6.363 0.541 -0.902 1.00 0.00 N ATOM 447 CA GLN A 33 -7.386 -0.464 -0.639 1.00 0.00 C ATOM 448 C GLN A 33 -8.623 0.170 -0.010 1.00 0.00 C ATOM 449 O GLN A 33 -9.746 -0.280 -0.235 1.00 0.00 O ATOM 450 CB GLN A 33 -6.836 -1.556 0.279 1.00 0.00 C ATOM 451 CG GLN A 33 -5.677 -2.333 -0.326 1.00 0.00 C ATOM 452 CD GLN A 33 -5.385 -3.620 0.419 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.260 -4.472 0.576 1.00 0.00 O ATOM 454 NE2 GLN A 33 -4.150 -3.768 0.884 1.00 0.00 N ATOM 0 H GLN A 33 -5.484 0.387 -0.408 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.673 -0.911 -1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.509 -1.102 1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.639 -2.251 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.903 -2.564 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.785 -1.707 -0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.456 -3.036 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.895 -4.614 1.394 1.00 0.00 H new ATOM 463 N ALA A 34 -8.407 1.217 0.780 1.00 0.00 N ATOM 464 CA ALA A 34 -9.504 1.914 1.440 1.00 0.00 C ATOM 465 C ALA A 34 -10.361 2.671 0.431 1.00 0.00 C ATOM 466 O ALA A 34 -11.589 2.647 0.504 1.00 0.00 O ATOM 467 CB ALA A 34 -8.964 2.867 2.497 1.00 0.00 C ATOM 0 H ALA A 34 -7.483 1.601 0.978 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.134 1.169 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.794 3.381 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.401 2.304 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.309 3.600 2.026 1.00 0.00 H new ATOM 473 N GLU A 35 -9.704 3.342 -0.510 1.00 0.00 N ATOM 474 CA GLU A 35 -10.407 4.108 -1.533 1.00 0.00 C ATOM 475 C GLU A 35 -10.580 3.284 -2.806 1.00 0.00 C ATOM 476 O GLU A 35 -11.185 3.740 -3.775 1.00 0.00 O ATOM 477 CB GLU A 35 -9.649 5.399 -1.847 1.00 0.00 C ATOM 478 CG GLU A 35 -9.957 6.535 -0.887 1.00 0.00 C ATOM 479 CD GLU A 35 -11.125 7.386 -1.345 1.00 0.00 C ATOM 480 OE1 GLU A 35 -10.919 8.255 -2.218 1.00 0.00 O ATOM 481 OE2 GLU A 35 -12.244 7.183 -0.831 1.00 0.00 O ATOM 0 H GLU A 35 -8.687 3.371 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.394 4.361 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.578 5.196 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.892 5.716 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.177 6.124 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.074 7.165 -0.780 1.00 0.00 H new ATOM 488 N ASN A 36 -10.044 2.068 -2.794 1.00 0.00 N ATOM 489 CA ASN A 36 -10.138 1.180 -3.947 1.00 0.00 C ATOM 490 C ASN A 36 -9.374 1.752 -5.138 1.00 0.00 C ATOM 491 O ASN A 36 -9.796 1.612 -6.286 1.00 0.00 O ATOM 492 CB ASN A 36 -11.603 0.956 -4.327 1.00 0.00 C ATOM 493 CG ASN A 36 -11.773 -0.155 -5.345 1.00 0.00 C ATOM 494 OD1 ASN A 36 -12.218 0.081 -6.469 1.00 0.00 O ATOM 495 ND2 ASN A 36 -11.418 -1.374 -4.956 1.00 0.00 N ATOM 0 H ASN A 36 -9.540 1.675 -1.999 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.690 0.224 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.175 0.715 -3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.016 1.881 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.509 -2.161 -5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.054 -1.523 -4.015 1.00 0.00 H new ATOM 502 N LYS A 37 -8.247 2.397 -4.856 1.00 0.00 N ATOM 503 CA LYS A 37 -7.422 2.990 -5.902 1.00 0.00 C ATOM 504 C LYS A 37 -6.401 1.985 -6.424 1.00 0.00 C ATOM 505 O LYS A 37 -5.390 2.364 -7.015 1.00 0.00 O ATOM 506 CB LYS A 37 -6.705 4.233 -5.371 1.00 0.00 C ATOM 507 CG LYS A 37 -7.637 5.242 -4.722 1.00 0.00 C ATOM 508 CD LYS A 37 -7.081 6.654 -4.814 1.00 0.00 C ATOM 509 CE LYS A 37 -7.308 7.254 -6.192 1.00 0.00 C ATOM 510 NZ LYS A 37 -6.143 7.033 -7.093 1.00 0.00 N ATOM 0 H LYS A 37 -7.884 2.522 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.075 3.279 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.953 3.926 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.176 4.716 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.613 5.202 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.790 4.977 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.555 7.282 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.014 6.641 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.200 6.813 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.495 8.324 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.964 7.895 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.302 6.807 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.348 6.243 -7.738 1.00 0.00 H new ATOM 524 N GLN A 38 -6.672 0.703 -6.202 1.00 0.00 N ATOM 525 CA GLN A 38 -5.776 -0.356 -6.651 1.00 0.00 C ATOM 526 C GLN A 38 -5.367 -0.143 -8.105 1.00 0.00 C ATOM 527 O GLN A 38 -4.190 -0.249 -8.450 1.00 0.00 O ATOM 528 CB GLN A 38 -6.446 -1.722 -6.493 1.00 0.00 C ATOM 529 CG GLN A 38 -6.941 -1.997 -5.082 1.00 0.00 C ATOM 530 CD GLN A 38 -8.166 -2.889 -5.057 1.00 0.00 C ATOM 531 OE1 GLN A 38 -8.466 -3.579 -6.032 1.00 0.00 O ATOM 532 NE2 GLN A 38 -8.883 -2.880 -3.939 1.00 0.00 N ATOM 0 H GLN A 38 -7.505 0.373 -5.714 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.880 -0.325 -6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.287 -1.787 -7.183 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.738 -2.500 -6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.143 -2.466 -4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.175 -1.052 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.598 -2.293 -3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.719 -3.460 -3.864 1.00 0.00 H new ATOM 541 N GLU A 39 -6.346 0.158 -8.952 1.00 0.00 N ATOM 542 CA GLU A 39 -6.087 0.384 -10.369 1.00 0.00 C ATOM 543 C GLU A 39 -4.886 1.306 -10.562 1.00 0.00 C ATOM 544 O GLU A 39 -4.188 1.230 -11.573 1.00 0.00 O ATOM 545 CB GLU A 39 -7.320 0.986 -11.046 1.00 0.00 C ATOM 546 CG GLU A 39 -7.681 2.370 -10.534 1.00 0.00 C ATOM 547 CD GLU A 39 -6.960 3.476 -11.280 1.00 0.00 C ATOM 548 OE1 GLU A 39 -6.409 3.196 -12.366 1.00 0.00 O ATOM 549 OE2 GLU A 39 -6.946 4.619 -10.780 1.00 0.00 O ATOM 0 H GLU A 39 -7.325 0.251 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.862 -0.578 -10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.144 1.040 -12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.169 0.319 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.757 2.517 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.439 2.435 -9.473 1.00 0.00 H new ATOM 556 N ASP A 40 -4.654 2.177 -9.585 1.00 0.00 N ATOM 557 CA ASP A 40 -3.538 3.114 -9.646 1.00 0.00 C ATOM 558 C ASP A 40 -2.326 2.565 -8.899 1.00 0.00 C ATOM 559 O ASP A 40 -1.183 2.790 -9.298 1.00 0.00 O ATOM 560 CB ASP A 40 -3.946 4.465 -9.057 1.00 0.00 C ATOM 561 CG ASP A 40 -3.003 5.581 -9.461 1.00 0.00 C ATOM 562 OD1 ASP A 40 -1.841 5.280 -9.803 1.00 0.00 O ATOM 563 OD2 ASP A 40 -3.428 6.756 -9.434 1.00 0.00 O ATOM 0 H ASP A 40 -5.224 2.253 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.266 3.250 -10.693 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.956 4.711 -9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.972 4.391 -7.970 1.00 0.00 H new ATOM 568 N CYS A 41 -2.584 1.845 -7.813 1.00 0.00 N ATOM 569 CA CYS A 41 -1.515 1.264 -7.008 1.00 0.00 C ATOM 570 C CYS A 41 -0.795 0.159 -7.776 1.00 0.00 C ATOM 571 O CYS A 41 -1.251 -0.984 -7.813 1.00 0.00 O ATOM 572 CB CYS A 41 -2.079 0.708 -5.699 1.00 0.00 C ATOM 573 SG CYS A 41 -0.905 0.750 -4.307 1.00 0.00 S ATOM 0 H CYS A 41 -3.524 1.649 -7.469 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.796 2.051 -6.780 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.968 1.277 -5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.397 -0.322 -5.861 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.228 -0.359 -4.277 1.00 0.00 H new ATOM 578 N VAL A 42 0.332 0.509 -8.387 1.00 0.00 N ATOM 579 CA VAL A 42 1.116 -0.453 -9.153 1.00 0.00 C ATOM 580 C VAL A 42 2.490 -0.665 -8.526 1.00 0.00 C ATOM 581 O VAL A 42 2.809 -0.079 -7.491 1.00 0.00 O ATOM 582 CB VAL A 42 1.295 0.005 -10.612 1.00 0.00 C ATOM 583 CG1 VAL A 42 -0.041 0.006 -11.340 1.00 0.00 C ATOM 584 CG2 VAL A 42 1.941 1.381 -10.664 1.00 0.00 C ATOM 0 H VAL A 42 0.723 1.451 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 42 0.565 -1.393 -9.140 1.00 0.00 H new ATOM 0 HB VAL A 42 1.956 -0.700 -11.116 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.106 0.332 -12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.459 -1.001 -11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.728 0.687 -10.838 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.060 1.688 -11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.309 2.100 -10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.918 1.342 -10.183 1.00 0.00 H new ATOM 594 N VAL A 43 3.300 -1.506 -9.160 1.00 0.00 N ATOM 595 CA VAL A 43 4.641 -1.795 -8.666 1.00 0.00 C ATOM 596 C VAL A 43 5.692 -0.995 -9.428 1.00 0.00 C ATOM 597 O VAL A 43 5.730 -1.013 -10.658 1.00 0.00 O ATOM 598 CB VAL A 43 4.971 -3.295 -8.781 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.350 -3.584 -8.208 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.908 -4.128 -8.081 1.00 0.00 C ATOM 0 H VAL A 43 3.051 -2.000 -10.017 1.00 0.00 H new ATOM 0 HA VAL A 43 4.660 -1.506 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 43 4.978 -3.569 -9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.566 -4.649 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.099 -3.014 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.375 -3.296 -7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.156 -5.185 -8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.867 -3.854 -7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.938 -3.942 -8.542 1.00 0.00 H new ATOM 610 N VAL A 44 6.544 -0.292 -8.689 1.00 0.00 N ATOM 611 CA VAL A 44 7.598 0.514 -9.294 1.00 0.00 C ATOM 612 C VAL A 44 8.977 -0.035 -8.948 1.00 0.00 C ATOM 613 O VAL A 44 9.373 -0.056 -7.783 1.00 0.00 O ATOM 614 CB VAL A 44 7.512 1.983 -8.839 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.500 2.071 -7.320 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.665 2.788 -9.419 1.00 0.00 C ATOM 0 H VAL A 44 6.525 -0.264 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 44 7.453 0.467 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 44 6.579 2.407 -9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.439 3.116 -7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.638 1.529 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.415 1.631 -6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.589 3.824 -9.087 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.611 2.367 -9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.623 2.752 -10.508 1.00 0.00 H new ATOM 626 N TRP A 45 9.704 -0.477 -9.967 1.00 0.00 N ATOM 627 CA TRP A 45 11.041 -1.026 -9.771 1.00 0.00 C ATOM 628 C TRP A 45 12.098 0.070 -9.857 1.00 0.00 C ATOM 629 O TRP A 45 12.011 0.964 -10.698 1.00 0.00 O ATOM 630 CB TRP A 45 11.328 -2.110 -10.811 1.00 0.00 C ATOM 631 CG TRP A 45 10.469 -3.329 -10.651 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.742 -4.429 -9.890 1.00 0.00 C ATOM 633 CD2 TRP A 45 9.201 -3.570 -11.269 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.719 -5.340 -9.997 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.761 -4.837 -10.836 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.392 -2.839 -12.143 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.551 -5.386 -11.251 1.00 0.00 C ATOM 638 CZ3 TRP A 45 7.191 -3.386 -12.554 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.779 -4.648 -12.107 1.00 0.00 C ATOM 0 H TRP A 45 9.391 -0.466 -10.938 1.00 0.00 H new ATOM 0 HA TRP A 45 11.082 -1.468 -8.775 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.177 -1.696 -11.808 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.376 -2.401 -10.742 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.631 -4.563 -9.292 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.680 -6.245 -9.527 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.700 -1.864 -12.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.233 -6.360 -10.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.559 -2.831 -13.232 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.834 -5.046 -12.444 1.00 0.00 H new ATOM 650 N GLY A 46 13.095 -0.006 -8.981 1.00 0.00 N ATOM 651 CA GLY A 46 14.154 0.987 -8.975 1.00 0.00 C ATOM 652 C GLY A 46 15.477 0.425 -9.457 1.00 0.00 C ATOM 653 O GLY A 46 15.627 -0.787 -9.604 1.00 0.00 O ATOM 0 H GLY A 46 13.189 -0.737 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.866 1.825 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.275 1.379 -7.965 1.00 0.00 H new ATOM 657 N GLU A 47 16.439 1.309 -9.703 1.00 0.00 N ATOM 658 CA GLU A 47 17.755 0.894 -10.174 1.00 0.00 C ATOM 659 C GLU A 47 18.365 -0.144 -9.236 1.00 0.00 C ATOM 660 O GLU A 47 19.219 -0.935 -9.638 1.00 0.00 O ATOM 661 CB GLU A 47 18.686 2.103 -10.287 1.00 0.00 C ATOM 662 CG GLU A 47 18.628 2.791 -11.641 1.00 0.00 C ATOM 663 CD GLU A 47 19.904 3.541 -11.970 1.00 0.00 C ATOM 664 OE1 GLU A 47 20.961 3.192 -11.403 1.00 0.00 O ATOM 665 OE2 GLU A 47 19.845 4.477 -12.794 1.00 0.00 O ATOM 0 H GLU A 47 16.332 2.316 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 47 17.635 0.444 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.428 2.824 -9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.710 1.782 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.439 2.047 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.789 3.486 -11.655 1.00 0.00 H new ATOM 672 N CYS A 48 17.921 -0.135 -7.984 1.00 0.00 N ATOM 673 CA CYS A 48 18.422 -1.074 -6.988 1.00 0.00 C ATOM 674 C CYS A 48 17.603 -2.362 -6.993 1.00 0.00 C ATOM 675 O CYS A 48 17.587 -3.103 -6.011 1.00 0.00 O ATOM 676 CB CYS A 48 18.387 -0.440 -5.596 1.00 0.00 C ATOM 677 SG CYS A 48 16.774 0.279 -5.147 1.00 0.00 S ATOM 0 H CYS A 48 17.215 0.513 -7.635 1.00 0.00 H new ATOM 0 HA CYS A 48 19.453 -1.319 -7.243 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.654 -1.196 -4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.147 0.339 -5.544 1.00 0.00 H new ATOM 0 HG CYS A 48 16.791 0.637 -3.897 1.00 0.00 H new ATOM 682 N ASN A 49 16.924 -2.620 -8.106 1.00 0.00 N ATOM 683 CA ASN A 49 16.103 -3.818 -8.240 1.00 0.00 C ATOM 684 C ASN A 49 15.180 -3.982 -7.036 1.00 0.00 C ATOM 685 O ASN A 49 14.966 -5.093 -6.551 1.00 0.00 O ATOM 686 CB ASN A 49 16.989 -5.056 -8.390 1.00 0.00 C ATOM 687 CG ASN A 49 17.921 -5.246 -7.208 1.00 0.00 C ATOM 688 OD1 ASN A 49 19.108 -4.926 -7.282 1.00 0.00 O ATOM 689 ND2 ASN A 49 17.387 -5.769 -6.111 1.00 0.00 N ATOM 0 H ASN A 49 16.926 -2.016 -8.928 1.00 0.00 H new ATOM 0 HA ASN A 49 15.489 -3.709 -9.134 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.359 -5.939 -8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.578 -4.970 -9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.965 -5.920 -5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.398 -6.019 -6.095 1.00 0.00 H new ATOM 696 N HIS A 50 14.636 -2.867 -6.558 1.00 0.00 N ATOM 697 CA HIS A 50 13.735 -2.887 -5.411 1.00 0.00 C ATOM 698 C HIS A 50 12.342 -2.407 -5.807 1.00 0.00 C ATOM 699 O HIS A 50 12.163 -1.260 -6.217 1.00 0.00 O ATOM 700 CB HIS A 50 14.288 -2.012 -4.286 1.00 0.00 C ATOM 701 CG HIS A 50 15.461 -2.617 -3.578 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.261 -1.910 -2.706 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.966 -3.873 -3.615 1.00 0.00 C ATOM 704 CE1 HIS A 50 17.209 -2.703 -2.239 1.00 0.00 C ATOM 705 NE2 HIS A 50 17.052 -3.900 -2.775 1.00 0.00 N ATOM 0 H HIS A 50 14.803 -1.939 -6.947 1.00 0.00 H new ATOM 0 HA HIS A 50 13.659 -3.915 -5.057 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.581 -1.047 -4.699 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.496 -1.822 -3.562 1.00 0.00 H new ATOM 0 HD1 HIS A 50 16.140 -0.928 -2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.585 -4.700 -4.197 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.981 -2.421 -1.538 1.00 0.00 H new ATOM 713 N SER A 51 11.358 -3.292 -5.680 1.00 0.00 N ATOM 714 CA SER A 51 9.982 -2.960 -6.029 1.00 0.00 C ATOM 715 C SER A 51 9.302 -2.199 -4.894 1.00 0.00 C ATOM 716 O SER A 51 9.465 -2.536 -3.721 1.00 0.00 O ATOM 717 CB SER A 51 9.193 -4.231 -6.349 1.00 0.00 C ATOM 718 OG SER A 51 9.227 -5.140 -5.262 1.00 0.00 O ATOM 0 H SER A 51 11.488 -4.244 -5.338 1.00 0.00 H new ATOM 0 HA SER A 51 10.002 -2.321 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.159 -3.973 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.608 -4.706 -7.238 1.00 0.00 H new ATOM 0 HG SER A 51 8.855 -6.001 -5.544 1.00 0.00 H new ATOM 724 N PHE A 52 8.540 -1.171 -5.253 1.00 0.00 N ATOM 725 CA PHE A 52 7.836 -0.361 -4.266 1.00 0.00 C ATOM 726 C PHE A 52 6.475 0.081 -4.796 1.00 0.00 C ATOM 727 O PHE A 52 6.090 -0.263 -5.914 1.00 0.00 O ATOM 728 CB PHE A 52 8.672 0.864 -3.890 1.00 0.00 C ATOM 729 CG PHE A 52 9.882 0.534 -3.064 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.764 0.290 -1.705 1.00 0.00 C ATOM 731 CD2 PHE A 52 11.138 0.466 -3.646 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.876 -0.014 -0.943 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.254 0.163 -2.889 1.00 0.00 C ATOM 734 CZ PHE A 52 12.122 -0.078 -1.536 1.00 0.00 C ATOM 0 H PHE A 52 8.394 -0.879 -6.220 1.00 0.00 H new ATOM 0 HA PHE A 52 7.679 -0.972 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.991 1.370 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.046 1.566 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.792 0.338 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.246 0.652 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.771 -0.201 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.227 0.115 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.992 -0.316 -0.942 1.00 0.00 H new ATOM 744 N HIS A 53 5.751 0.846 -3.985 1.00 0.00 N ATOM 745 CA HIS A 53 4.433 1.336 -4.371 1.00 0.00 C ATOM 746 C HIS A 53 4.537 2.699 -5.050 1.00 0.00 C ATOM 747 O HIS A 53 4.810 3.707 -4.400 1.00 0.00 O ATOM 748 CB HIS A 53 3.521 1.431 -3.147 1.00 0.00 C ATOM 749 CG HIS A 53 2.893 0.126 -2.766 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.794 -0.309 -1.461 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.327 -0.840 -3.527 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.197 -1.487 -1.436 1.00 0.00 C ATOM 753 NE2 HIS A 53 1.903 -1.832 -2.676 1.00 0.00 N ATOM 0 H HIS A 53 6.055 1.140 -3.057 1.00 0.00 H new ATOM 0 HA HIS A 53 4.003 0.628 -5.080 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.098 1.808 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.735 2.159 -3.346 1.00 0.00 H new ATOM 0 HD1 HIS A 53 3.129 0.200 -0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.227 -0.832 -4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.985 -2.069 -0.551 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.437 -2.695 -2.957 1.00 0.00 H new ATOM 761 N ASN A 54 4.317 2.720 -6.360 1.00 0.00 N ATOM 762 CA ASN A 54 4.388 3.959 -7.127 1.00 0.00 C ATOM 763 C ASN A 54 3.743 5.110 -6.361 1.00 0.00 C ATOM 764 O ASN A 54 4.221 6.245 -6.405 1.00 0.00 O ATOM 765 CB ASN A 54 3.699 3.785 -8.482 1.00 0.00 C ATOM 766 CG ASN A 54 2.224 4.129 -8.429 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.449 3.307 -7.732 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.786 5.124 -9.008 1.00 0.00 N flip ATOM 0 H ASN A 54 4.088 1.894 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 54 5.439 4.197 -7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.191 4.418 -9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.817 2.754 -8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.418 5.728 -9.533 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.791 5.344 -8.963 1.00 0.00 H new ATOM 775 N CYS A 55 2.656 4.811 -5.658 1.00 0.00 N ATOM 776 CA CYS A 55 1.945 5.819 -4.881 1.00 0.00 C ATOM 777 C CYS A 55 2.739 6.206 -3.636 1.00 0.00 C ATOM 778 O CYS A 55 2.911 7.388 -3.339 1.00 0.00 O ATOM 779 CB CYS A 55 0.563 5.301 -4.478 1.00 0.00 C ATOM 780 SG CYS A 55 0.605 3.844 -3.385 1.00 0.00 S ATOM 0 H CYS A 55 2.248 3.877 -5.610 1.00 0.00 H new ATOM 0 HA CYS A 55 1.826 6.705 -5.504 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.018 6.102 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.004 5.050 -5.379 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.016 2.855 -3.956 1.00 0.00 H new ATOM 785 N CYS A 56 3.220 5.201 -2.912 1.00 0.00 N ATOM 786 CA CYS A 56 3.995 5.434 -1.699 1.00 0.00 C ATOM 787 C CYS A 56 5.304 6.151 -2.019 1.00 0.00 C ATOM 788 O CYS A 56 5.566 7.241 -1.513 1.00 0.00 O ATOM 789 CB CYS A 56 4.286 4.109 -0.992 1.00 0.00 C ATOM 790 SG CYS A 56 2.795 3.167 -0.536 1.00 0.00 S ATOM 0 H CYS A 56 3.087 4.217 -3.144 1.00 0.00 H new ATOM 0 HA CYS A 56 3.406 6.069 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.908 3.492 -1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.866 4.310 -0.091 1.00 0.00 H new ATOM 0 HG CYS A 56 1.894 3.305 -1.463 1.00 0.00 H new ATOM 795 N MET A 57 6.120 5.530 -2.864 1.00 0.00 N ATOM 796 CA MET A 57 7.401 6.109 -3.253 1.00 0.00 C ATOM 797 C MET A 57 7.281 7.618 -3.439 1.00 0.00 C ATOM 798 O MET A 57 7.964 8.392 -2.769 1.00 0.00 O ATOM 799 CB MET A 57 7.906 5.463 -4.544 1.00 0.00 C ATOM 800 CG MET A 57 9.072 6.203 -5.179 1.00 0.00 C ATOM 801 SD MET A 57 10.383 6.576 -3.998 1.00 0.00 S ATOM 802 CE MET A 57 10.704 4.949 -3.323 1.00 0.00 C ATOM 0 H MET A 57 5.918 4.627 -3.292 1.00 0.00 H new ATOM 0 HA MET A 57 8.117 5.915 -2.454 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.209 4.437 -4.333 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.086 5.412 -5.260 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.480 5.601 -5.991 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.711 7.132 -5.621 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.761 4.862 -3.071 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.104 4.803 -2.425 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.443 4.191 -4.061 1.00 0.00 H new ATOM 812 N SER A 58 6.409 8.030 -4.354 1.00 0.00 N ATOM 813 CA SER A 58 6.203 9.446 -4.632 1.00 0.00 C ATOM 814 C SER A 58 6.077 10.241 -3.335 1.00 0.00 C ATOM 815 O SER A 58 6.492 11.398 -3.260 1.00 0.00 O ATOM 816 CB SER A 58 4.950 9.644 -5.487 1.00 0.00 C ATOM 817 OG SER A 58 3.784 9.255 -4.781 1.00 0.00 O ATOM 0 H SER A 58 5.834 7.402 -4.916 1.00 0.00 H new ATOM 0 HA SER A 58 7.070 9.812 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.869 10.690 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.036 9.061 -6.404 1.00 0.00 H new ATOM 0 HG SER A 58 3.949 8.407 -4.319 1.00 0.00 H new ATOM 823 N LEU A 59 5.502 9.612 -2.317 1.00 0.00 N ATOM 824 CA LEU A 59 5.321 10.258 -1.021 1.00 0.00 C ATOM 825 C LEU A 59 6.579 10.131 -0.169 1.00 0.00 C ATOM 826 O LEU A 59 7.076 11.119 0.373 1.00 0.00 O ATOM 827 CB LEU A 59 4.128 9.645 -0.286 1.00 0.00 C ATOM 828 CG LEU A 59 2.801 9.642 -1.044 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.808 8.702 -0.380 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.231 11.051 -1.127 1.00 0.00 C ATOM 0 H LEU A 59 5.153 8.655 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 59 5.128 11.317 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.377 8.616 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.987 10.185 0.650 1.00 0.00 H new ATOM 0 HG LEU A 59 2.985 9.285 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.869 8.714 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.213 7.690 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.628 9.027 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.286 11.030 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.063 11.435 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.935 11.698 -1.650 1.00 0.00 H new ATOM 842 N TRP A 60 7.090 8.911 -0.055 1.00 0.00 N ATOM 843 CA TRP A 60 8.292 8.655 0.730 1.00 0.00 C ATOM 844 C TRP A 60 9.390 9.656 0.387 1.00 0.00 C ATOM 845 O TRP A 60 10.027 10.222 1.275 1.00 0.00 O ATOM 846 CB TRP A 60 8.791 7.230 0.487 1.00 0.00 C ATOM 847 CG TRP A 60 10.192 7.000 0.970 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.330 7.011 0.215 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.601 6.725 2.314 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.423 6.758 1.010 1.00 0.00 N ATOM 851 CE2 TRP A 60 12.002 6.580 2.301 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.920 6.589 3.527 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.732 6.305 3.455 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.646 6.316 4.670 1.00 0.00 C ATOM 855 CH2 TRP A 60 12.040 6.177 4.628 1.00 0.00 C ATOM 0 H TRP A 60 6.691 8.083 -0.496 1.00 0.00 H new ATOM 0 HA TRP A 60 8.038 8.769 1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.123 6.529 0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.742 7.013 -0.580 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.366 7.192 -0.849 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.390 6.711 0.690 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.846 6.695 3.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.806 6.197 3.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.130 6.208 5.613 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.578 5.965 5.540 1.00 0.00 H new ATOM 866 N VAL A 61 9.605 9.872 -0.907 1.00 0.00 N ATOM 867 CA VAL A 61 10.625 10.806 -1.367 1.00 0.00 C ATOM 868 C VAL A 61 10.399 12.197 -0.784 1.00 0.00 C ATOM 869 O VAL A 61 11.333 12.990 -0.659 1.00 0.00 O ATOM 870 CB VAL A 61 10.646 10.903 -2.904 1.00 0.00 C ATOM 871 CG1 VAL A 61 11.134 9.598 -3.514 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.267 11.266 -3.433 1.00 0.00 C ATOM 0 H VAL A 61 9.086 9.412 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 61 11.585 10.422 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 61 11.340 11.693 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.142 9.685 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.142 9.385 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.467 8.787 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.300 11.330 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.550 10.500 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.961 12.228 -3.022 1.00 0.00 H new ATOM 882 N LYS A 62 9.152 12.488 -0.429 1.00 0.00 N ATOM 883 CA LYS A 62 8.801 13.782 0.143 1.00 0.00 C ATOM 884 C LYS A 62 9.583 14.040 1.427 1.00 0.00 C ATOM 885 O LYS A 62 9.931 15.180 1.733 1.00 0.00 O ATOM 886 CB LYS A 62 7.299 13.847 0.426 1.00 0.00 C ATOM 887 CG LYS A 62 6.437 13.585 -0.797 1.00 0.00 C ATOM 888 CD LYS A 62 4.957 13.659 -0.463 1.00 0.00 C ATOM 889 CE LYS A 62 4.481 15.100 -0.357 1.00 0.00 C ATOM 890 NZ LYS A 62 4.741 15.672 0.994 1.00 0.00 N ATOM 0 H LYS A 62 8.367 11.844 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 62 9.062 14.554 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.051 13.118 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.056 14.831 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.673 14.314 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.670 12.601 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.383 13.141 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.769 13.142 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.985 15.705 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.413 15.147 -0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.898 16.185 1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.960 14.904 1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.547 16.327 0.944 1.00 0.00 H new ATOM 904 N GLN A 63 9.856 12.974 2.172 1.00 0.00 N ATOM 905 CA GLN A 63 10.597 13.086 3.423 1.00 0.00 C ATOM 906 C GLN A 63 12.016 12.549 3.264 1.00 0.00 C ATOM 907 O GLN A 63 12.970 13.126 3.783 1.00 0.00 O ATOM 908 CB GLN A 63 9.874 12.330 4.539 1.00 0.00 C ATOM 909 CG GLN A 63 9.580 10.878 4.198 1.00 0.00 C ATOM 910 CD GLN A 63 9.235 10.051 5.421 1.00 0.00 C ATOM 911 OE1 GLN A 63 9.961 8.956 5.619 1.00 0.00 O flip ATOM 912 NE2 GLN A 63 8.327 10.391 6.179 1.00 0.00 N flip ATOM 0 H GLN A 63 9.575 12.023 1.931 1.00 0.00 H new ATOM 0 HA GLN A 63 10.655 14.141 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.481 12.366 5.444 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.937 12.839 4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.753 10.835 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.447 10.442 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.795 11.240 5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.107 9.824 6.998 1.00 0.00 H new ATOM 921 N ASN A 64 12.146 11.439 2.545 1.00 0.00 N ATOM 922 CA ASN A 64 13.448 10.823 2.319 1.00 0.00 C ATOM 923 C ASN A 64 13.617 10.428 0.855 1.00 0.00 C ATOM 924 O ASN A 64 13.008 9.467 0.387 1.00 0.00 O ATOM 925 CB ASN A 64 13.615 9.592 3.213 1.00 0.00 C ATOM 926 CG ASN A 64 14.038 9.955 4.624 1.00 0.00 C ATOM 927 OD1 ASN A 64 14.697 10.972 4.843 1.00 0.00 O ATOM 928 ND2 ASN A 64 13.660 9.124 5.587 1.00 0.00 N ATOM 0 H ASN A 64 11.366 10.948 2.109 1.00 0.00 H new ATOM 0 HA ASN A 64 14.216 11.554 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.675 9.042 3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.358 8.926 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.915 9.316 6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.115 8.293 5.358 1.00 0.00 H new ATOM 935 N ASN A 65 14.449 11.177 0.138 1.00 0.00 N ATOM 936 CA ASN A 65 14.698 10.905 -1.273 1.00 0.00 C ATOM 937 C ASN A 65 15.737 9.801 -1.439 1.00 0.00 C ATOM 938 O ASN A 65 16.627 9.894 -2.285 1.00 0.00 O ATOM 939 CB ASN A 65 15.170 12.176 -1.982 1.00 0.00 C ATOM 940 CG ASN A 65 14.452 13.416 -1.486 1.00 0.00 C ATOM 941 OD1 ASN A 65 13.425 13.815 -2.036 1.00 0.00 O ATOM 942 ND2 ASN A 65 14.991 14.033 -0.441 1.00 0.00 N ATOM 0 H ASN A 65 14.962 11.976 0.511 1.00 0.00 H new ATOM 0 HA ASN A 65 13.764 10.570 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.243 12.296 -1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.009 12.071 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.553 14.873 -0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.843 13.667 -0.016 1.00 0.00 H new ATOM 949 N ARG A 66 15.618 8.756 -0.626 1.00 0.00 N ATOM 950 CA ARG A 66 16.547 7.634 -0.682 1.00 0.00 C ATOM 951 C ARG A 66 15.841 6.326 -0.340 1.00 0.00 C ATOM 952 O ARG A 66 15.087 6.250 0.631 1.00 0.00 O ATOM 953 CB ARG A 66 17.714 7.863 0.280 1.00 0.00 C ATOM 954 CG ARG A 66 18.456 9.167 0.038 1.00 0.00 C ATOM 955 CD ARG A 66 19.208 9.618 1.281 1.00 0.00 C ATOM 956 NE ARG A 66 19.474 11.054 1.268 1.00 0.00 N ATOM 957 CZ ARG A 66 20.451 11.627 1.962 1.00 0.00 C ATOM 958 NH1 ARG A 66 21.252 10.890 2.718 1.00 0.00 N ATOM 959 NH2 ARG A 66 20.629 12.941 1.899 1.00 0.00 N ATOM 0 H ARG A 66 14.887 8.663 0.079 1.00 0.00 H new ATOM 0 HA ARG A 66 16.932 7.563 -1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.338 7.853 1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.416 7.034 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.157 9.041 -0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.748 9.940 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.627 9.365 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.151 9.075 1.351 1.00 0.00 H new ATOM 0 HE ARG A 66 18.877 11.650 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.119 9.880 2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.001 11.333 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.015 13.511 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.379 13.380 2.432 1.00 0.00 H new ATOM 973 N CYS A 67 16.089 5.297 -1.144 1.00 0.00 N ATOM 974 CA CYS A 67 15.477 3.992 -0.928 1.00 0.00 C ATOM 975 C CYS A 67 15.586 3.575 0.536 1.00 0.00 C ATOM 976 O CYS A 67 16.675 3.494 1.104 1.00 0.00 O ATOM 977 CB CYS A 67 16.141 2.941 -1.820 1.00 0.00 C ATOM 978 SG CYS A 67 15.182 1.402 -1.995 1.00 0.00 S ATOM 0 H CYS A 67 16.710 5.342 -1.952 1.00 0.00 H new ATOM 0 HA CYS A 67 14.421 4.066 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.304 3.370 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 67 17.122 2.701 -1.411 1.00 0.00 H new ATOM 0 HG CYS A 67 13.955 1.689 -2.315 1.00 0.00 H new ATOM 983 N PRO A 68 14.431 3.305 1.161 1.00 0.00 N ATOM 984 CA PRO A 68 14.369 2.892 2.566 1.00 0.00 C ATOM 985 C PRO A 68 14.928 1.490 2.783 1.00 0.00 C ATOM 986 O PRO A 68 14.856 0.945 3.885 1.00 0.00 O ATOM 987 CB PRO A 68 12.872 2.925 2.881 1.00 0.00 C ATOM 988 CG PRO A 68 12.204 2.728 1.564 1.00 0.00 C ATOM 989 CD PRO A 68 13.095 3.382 0.545 1.00 0.00 C ATOM 0 HA PRO A 68 14.967 3.539 3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.598 2.140 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.583 3.874 3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.075 1.668 1.347 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.211 3.177 1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.063 2.860 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.799 4.414 0.355 1.00 0.00 H new ATOM 997 N LEU A 69 15.485 0.910 1.725 1.00 0.00 N ATOM 998 CA LEU A 69 16.057 -0.430 1.800 1.00 0.00 C ATOM 999 C LEU A 69 17.574 -0.384 1.647 1.00 0.00 C ATOM 1000 O LEU A 69 18.302 -1.070 2.364 1.00 0.00 O ATOM 1001 CB LEU A 69 15.450 -1.326 0.718 1.00 0.00 C ATOM 1002 CG LEU A 69 14.195 -2.103 1.116 1.00 0.00 C ATOM 1003 CD1 LEU A 69 13.108 -1.152 1.594 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.696 -2.943 -0.050 1.00 0.00 C ATOM 0 H LEU A 69 15.553 1.347 0.806 1.00 0.00 H new ATOM 0 HA LEU A 69 15.822 -0.845 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.211 -0.706 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.209 -2.040 0.398 1.00 0.00 H new ATOM 0 HG LEU A 69 14.450 -2.773 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.222 -1.723 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.467 -0.594 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.855 -0.457 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.802 -3.489 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.457 -2.292 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.471 -3.650 -0.347 1.00 0.00 H new ATOM 1016 N CYS A 70 18.044 0.431 0.708 1.00 0.00 N ATOM 1017 CA CYS A 70 19.474 0.569 0.461 1.00 0.00 C ATOM 1018 C CYS A 70 19.917 2.020 0.625 1.00 0.00 C ATOM 1019 O CYS A 70 21.029 2.385 0.248 1.00 0.00 O ATOM 1020 CB CYS A 70 19.820 0.074 -0.945 1.00 0.00 C ATOM 1021 SG CYS A 70 18.784 0.792 -2.261 1.00 0.00 S ATOM 0 H CYS A 70 17.455 1.006 0.106 1.00 0.00 H new ATOM 0 HA CYS A 70 20.004 -0.039 1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.865 0.305 -1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.722 -1.011 -0.971 1.00 0.00 H new ATOM 0 HG CYS A 70 17.531 0.699 -1.926 1.00 0.00 H new ATOM 1026 N GLN A 71 19.037 2.841 1.190 1.00 0.00 N ATOM 1027 CA GLN A 71 19.337 4.252 1.404 1.00 0.00 C ATOM 1028 C GLN A 71 20.228 4.793 0.290 1.00 0.00 C ATOM 1029 O GLN A 71 21.098 5.629 0.531 1.00 0.00 O ATOM 1030 CB GLN A 71 20.018 4.450 2.759 1.00 0.00 C ATOM 1031 CG GLN A 71 20.982 3.334 3.126 1.00 0.00 C ATOM 1032 CD GLN A 71 20.272 2.054 3.518 1.00 0.00 C ATOM 1033 OE1 GLN A 71 20.607 0.971 3.035 1.00 0.00 O ATOM 1034 NE2 GLN A 71 19.284 2.170 4.397 1.00 0.00 N ATOM 0 H GLN A 71 18.111 2.553 1.508 1.00 0.00 H new ATOM 0 HA GLN A 71 18.397 4.804 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.558 5.397 2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.254 4.527 3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.640 3.135 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.614 3.662 3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.040 3.087 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.769 1.342 4.698 1.00 0.00 H new ATOM 1043 N GLN A 72 20.004 4.310 -0.927 1.00 0.00 N ATOM 1044 CA GLN A 72 20.787 4.746 -2.077 1.00 0.00 C ATOM 1045 C GLN A 72 19.961 5.648 -2.988 1.00 0.00 C ATOM 1046 O GLN A 72 18.733 5.574 -3.004 1.00 0.00 O ATOM 1047 CB GLN A 72 21.295 3.536 -2.863 1.00 0.00 C ATOM 1048 CG GLN A 72 22.547 2.909 -2.272 1.00 0.00 C ATOM 1049 CD GLN A 72 23.432 2.268 -3.323 1.00 0.00 C ATOM 1050 OE1 GLN A 72 23.066 1.260 -3.928 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.603 2.852 -3.547 1.00 0.00 N ATOM 0 H GLN A 72 19.287 3.617 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 72 21.640 5.316 -1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.507 2.784 -2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.501 3.840 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.115 3.673 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.260 2.157 -1.537 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.866 3.686 -3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.240 2.466 -4.244 1.00 0.00 H new ATOM 1060 N ASP A 73 20.644 6.500 -3.745 1.00 0.00 N ATOM 1061 CA ASP A 73 19.974 7.417 -4.660 1.00 0.00 C ATOM 1062 C ASP A 73 18.848 6.711 -5.409 1.00 0.00 C ATOM 1063 O ASP A 73 19.080 6.064 -6.430 1.00 0.00 O ATOM 1064 CB ASP A 73 20.977 8.003 -5.655 1.00 0.00 C ATOM 1065 CG ASP A 73 20.308 8.851 -6.719 1.00 0.00 C ATOM 1066 OD1 ASP A 73 19.709 9.887 -6.364 1.00 0.00 O ATOM 1067 OD2 ASP A 73 20.385 8.478 -7.909 1.00 0.00 O ATOM 0 H ASP A 73 21.661 6.575 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 73 19.543 8.227 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.706 8.609 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.526 7.192 -6.133 1.00 0.00 H new ATOM 1072 N TRP A 74 17.631 6.839 -4.895 1.00 0.00 N ATOM 1073 CA TRP A 74 16.469 6.212 -5.516 1.00 0.00 C ATOM 1074 C TRP A 74 16.335 6.637 -6.974 1.00 0.00 C ATOM 1075 O TRP A 74 16.308 7.829 -7.283 1.00 0.00 O ATOM 1076 CB TRP A 74 15.197 6.573 -4.747 1.00 0.00 C ATOM 1077 CG TRP A 74 13.941 6.136 -5.438 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.980 6.942 -5.978 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.510 4.789 -5.660 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.977 6.177 -6.523 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.279 4.853 -6.342 1.00 0.00 C ATOM 1082 CE3 TRP A 74 14.045 3.535 -5.352 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.576 3.711 -6.718 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.346 2.403 -5.726 1.00 0.00 C ATOM 1085 CH2 TRP A 74 12.123 2.497 -6.404 1.00 0.00 C ATOM 0 H TRP A 74 17.422 7.371 -4.050 1.00 0.00 H new ATOM 0 HA TRP A 74 16.610 5.132 -5.484 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.237 6.116 -3.758 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.165 7.652 -4.598 1.00 0.00 H new ATOM 0 HD1 TRP A 74 13.005 8.022 -5.977 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.143 6.537 -6.987 1.00 0.00 H new ATOM 0 HE3 TRP A 74 14.988 3.452 -4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.633 3.781 -7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.749 1.429 -5.492 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.602 1.593 -6.684 1.00 0.00 H new ATOM 1096 N VAL A 75 16.250 5.656 -7.866 1.00 0.00 N ATOM 1097 CA VAL A 75 16.117 5.930 -9.292 1.00 0.00 C ATOM 1098 C VAL A 75 15.043 5.050 -9.923 1.00 0.00 C ATOM 1099 O VAL A 75 15.280 3.880 -10.222 1.00 0.00 O ATOM 1100 CB VAL A 75 17.448 5.706 -10.034 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.310 6.076 -11.503 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.564 6.505 -9.377 1.00 0.00 C ATOM 0 H VAL A 75 16.271 4.665 -7.627 1.00 0.00 H new ATOM 0 HA VAL A 75 15.828 6.977 -9.387 1.00 0.00 H new ATOM 0 HB VAL A 75 17.704 4.648 -9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.260 5.911 -12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.540 5.457 -11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.030 7.126 -11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.497 6.335 -9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.317 7.566 -9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.678 6.187 -8.341 1.00 0.00 H new ATOM 1112 N VAL A 76 13.859 5.622 -10.122 1.00 0.00 N ATOM 1113 CA VAL A 76 12.748 4.890 -10.719 1.00 0.00 C ATOM 1114 C VAL A 76 13.152 4.265 -12.049 1.00 0.00 C ATOM 1115 O VAL A 76 13.423 4.970 -13.020 1.00 0.00 O ATOM 1116 CB VAL A 76 11.530 5.806 -10.944 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.401 5.038 -11.614 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.067 6.410 -9.626 1.00 0.00 C ATOM 0 H VAL A 76 13.645 6.589 -9.879 1.00 0.00 H new ATOM 0 HA VAL A 76 12.476 4.101 -10.018 1.00 0.00 H new ATOM 0 HB VAL A 76 11.826 6.620 -11.606 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.549 5.701 -11.765 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.741 4.659 -12.578 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.103 4.203 -10.980 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.206 7.054 -9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.787 5.612 -8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.876 6.997 -9.191 1.00 0.00 H new ATOM 1128 N GLN A 77 13.190 2.937 -12.085 1.00 0.00 N ATOM 1129 CA GLN A 77 13.562 2.216 -13.296 1.00 0.00 C ATOM 1130 C GLN A 77 12.357 2.033 -14.212 1.00 0.00 C ATOM 1131 O GLN A 77 12.342 2.524 -15.341 1.00 0.00 O ATOM 1132 CB GLN A 77 14.160 0.853 -12.941 1.00 0.00 C ATOM 1133 CG GLN A 77 14.509 0.007 -14.155 1.00 0.00 C ATOM 1134 CD GLN A 77 14.658 -1.463 -13.819 1.00 0.00 C ATOM 1135 OE1 GLN A 77 14.036 -2.321 -14.445 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.485 -1.762 -12.824 1.00 0.00 N ATOM 0 H GLN A 77 12.968 2.339 -11.289 1.00 0.00 H new ATOM 0 HA GLN A 77 14.311 2.806 -13.824 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.059 1.004 -12.343 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.452 0.306 -12.319 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.733 0.126 -14.911 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.438 0.372 -14.592 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.981 -1.019 -12.332 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.625 -2.735 -12.552 1.00 0.00 H new ATOM 1145 N ARG A 78 11.348 1.322 -13.719 1.00 0.00 N ATOM 1146 CA ARG A 78 10.138 1.073 -14.494 1.00 0.00 C ATOM 1147 C ARG A 78 8.946 0.821 -13.576 1.00 0.00 C ATOM 1148 O ARG A 78 9.114 0.471 -12.407 1.00 0.00 O ATOM 1149 CB ARG A 78 10.341 -0.124 -15.425 1.00 0.00 C ATOM 1150 CG ARG A 78 10.789 -1.386 -14.705 1.00 0.00 C ATOM 1151 CD ARG A 78 10.691 -2.606 -15.607 1.00 0.00 C ATOM 1152 NE ARG A 78 11.736 -2.617 -16.628 1.00 0.00 N ATOM 1153 CZ ARG A 78 12.144 -3.718 -17.250 1.00 0.00 C ATOM 1154 NH1 ARG A 78 11.598 -4.890 -16.957 1.00 0.00 N ATOM 1155 NH2 ARG A 78 13.099 -3.647 -18.168 1.00 0.00 N ATOM 0 H ARG A 78 11.344 0.908 -12.787 1.00 0.00 H new ATOM 0 HA ARG A 78 9.931 1.960 -15.093 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.408 -0.327 -15.950 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.082 0.136 -16.181 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.817 -1.266 -14.364 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.174 -1.538 -13.818 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.765 -3.510 -15.003 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.713 -2.623 -16.089 1.00 0.00 H new ATOM 0 HE ARG A 78 12.176 -1.731 -16.877 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.863 -4.948 -16.252 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.913 -5.734 -17.436 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.521 -2.747 -18.397 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.412 -4.493 -18.645 1.00 0.00 H new ATOM 1169 N ILE A 79 7.744 1.000 -14.112 1.00 0.00 N ATOM 1170 CA ILE A 79 6.525 0.792 -13.341 1.00 0.00 C ATOM 1171 C ILE A 79 5.503 -0.014 -14.136 1.00 0.00 C ATOM 1172 O ILE A 79 5.402 0.121 -15.355 1.00 0.00 O ATOM 1173 CB ILE A 79 5.890 2.130 -12.918 1.00 0.00 C ATOM 1174 CG1 ILE A 79 6.905 2.980 -12.150 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.650 1.884 -12.073 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.712 3.903 -13.035 1.00 0.00 C ATOM 0 H ILE A 79 7.588 1.289 -15.078 1.00 0.00 H new ATOM 0 HA ILE A 79 6.808 0.236 -12.447 1.00 0.00 H new ATOM 0 HB ILE A 79 5.592 2.674 -13.814 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.378 3.574 -11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.585 2.321 -11.611 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.213 2.839 -11.782 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.923 1.313 -12.651 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.924 1.323 -11.179 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.411 4.474 -12.424 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.267 3.314 -13.765 1.00 0.00 H new ATOM 0 HD13 ILE A 79 7.041 4.587 -13.555 1.00 0.00 H new ATOM 1188 N GLY A 80 4.744 -0.852 -13.436 1.00 0.00 N ATOM 1189 CA GLY A 80 3.737 -1.665 -14.093 1.00 0.00 C ATOM 1190 C GLY A 80 3.385 -2.906 -13.296 1.00 0.00 C ATOM 1191 O GLY A 80 3.999 -3.188 -12.267 1.00 0.00 O ATOM 0 H GLY A 80 4.808 -0.982 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.838 -1.069 -14.248 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.098 -1.960 -15.078 1.00 0.00 H new ATOM 1195 N LYS A 81 2.392 -3.650 -13.771 1.00 0.00 N ATOM 1196 CA LYS A 81 1.957 -4.867 -13.097 1.00 0.00 C ATOM 1197 C LYS A 81 2.341 -6.103 -13.904 1.00 0.00 C ATOM 1198 O LYS A 81 2.426 -7.191 -13.336 1.00 0.00 O ATOM 1199 CB LYS A 81 0.443 -4.840 -12.876 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.015 -3.736 -11.938 1.00 0.00 C ATOM 1201 CD LYS A 81 0.071 -4.169 -10.484 1.00 0.00 C ATOM 1202 CE LYS A 81 -1.218 -4.832 -10.023 1.00 0.00 C ATOM 1203 NZ LYS A 81 -1.213 -6.298 -10.286 1.00 0.00 N ATOM 0 H LYS A 81 1.873 -3.431 -14.621 1.00 0.00 H new ATOM 0 HA LYS A 81 2.458 -4.915 -12.130 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.054 -4.717 -13.838 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.126 -5.802 -12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.599 -2.849 -12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.042 -3.458 -12.176 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.903 -4.862 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.280 -3.302 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.356 -4.655 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.065 -4.374 -10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.844 -6.774 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.545 -6.478 -11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.247 -6.667 -10.177 1.00 0.00 H new