USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 745 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 80 THR OG1 : rot -16:sc= -0.973! USER MOD Set 1.2: A 83 HIS : no HD1:sc= 1.52 K(o=0.54,f=-7.9!) USER MOD Set 2.1: A 46 HIS : no HE2:sc= 0.601 K(o=-9.8,f=-16!) USER MOD Set 2.2: A 47 GLN : amide:sc= -10.4! C(o=-9.8!,f=-13!) USER MOD Set 3.1: A 37 ASN : amide:sc=-0.00147 K(o=-0.0029,f=-1.6) USER MOD Set 3.2: A 76 ASN : amide:sc=-0.00147 K(o=-0.0029,f=-1.6!) USER MOD Set 4.1: A 24 LYS NZ :NH3+ 150:sc= -1.32 (180deg=-3.08!) USER MOD Set 4.2: A 94 THR OG1 : rot 74:sc= 0.548 USER MOD Set 5.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 43 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.1!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0927 X(o=-0.093,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.884 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.29 K(o=0.29,f=-0.99) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 90 ASN : amide:sc=-0.00204 K(o=-0.002,f=-1.6!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 99 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.17) USER MOD Single : A 110 THR OG1 : rot 75:sc= 0.254 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 117 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.64) USER MOD Single : A 119 ASN :FLIP amide:sc= -5.09! C(o=-6.1!,f=-5.1!) USER MOD Single : A 123 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 274 N PHE A 21 -5.982 -12.862 -4.550 1.00 0.00 N ATOM 275 CA PHE A 21 -4.698 -12.177 -4.651 1.00 0.00 C ATOM 276 C PHE A 21 -3.692 -12.782 -3.678 1.00 0.00 C ATOM 277 O PHE A 21 -2.550 -13.060 -4.042 1.00 0.00 O ATOM 278 CB PHE A 21 -4.870 -10.686 -4.353 1.00 0.00 C ATOM 279 CG PHE A 21 -3.555 -9.977 -4.573 1.00 0.00 C ATOM 280 CD1 PHE A 21 -3.129 -9.681 -5.874 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.759 -9.621 -3.478 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.908 -9.027 -6.077 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.537 -8.968 -3.684 1.00 0.00 C ATOM 284 CZ PHE A 21 -1.112 -8.671 -4.983 1.00 0.00 C ATOM 0 HA PHE A 21 -4.323 -12.299 -5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.638 -10.261 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.204 -10.545 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.742 -9.957 -6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.087 -9.850 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.580 -8.797 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.923 -8.694 -2.839 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.170 -8.167 -5.141 1.00 0.00 H new ATOM 294 N TYR A 22 -4.127 -12.978 -2.437 1.00 0.00 N ATOM 295 CA TYR A 22 -3.260 -13.547 -1.412 1.00 0.00 C ATOM 296 C TYR A 22 -2.802 -14.948 -1.806 1.00 0.00 C ATOM 297 O TYR A 22 -1.638 -15.306 -1.616 1.00 0.00 O ATOM 298 CB TYR A 22 -4.003 -13.612 -0.078 1.00 0.00 C ATOM 299 CG TYR A 22 -3.071 -14.121 0.994 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.236 -13.228 1.677 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.039 -15.485 1.304 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.369 -13.700 2.671 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.174 -15.957 2.298 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.339 -15.065 2.981 1.00 0.00 C ATOM 305 OH TYR A 22 -0.485 -15.530 3.960 1.00 0.00 O ATOM 0 H TYR A 22 -5.069 -12.753 -2.118 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.384 -12.906 -1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.377 -12.624 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.869 -14.269 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.260 -12.175 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.682 -16.174 0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.724 -13.012 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.151 -17.010 2.538 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.590 -16.500 4.051 1.00 0.00 H new ATOM 315 N GLY A 23 -3.722 -15.739 -2.349 1.00 0.00 N ATOM 316 CA GLY A 23 -3.395 -17.100 -2.757 1.00 0.00 C ATOM 317 C GLY A 23 -2.245 -17.109 -3.758 1.00 0.00 C ATOM 318 O GLY A 23 -1.307 -17.897 -3.631 1.00 0.00 O ATOM 0 H GLY A 23 -4.690 -15.465 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.125 -17.691 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.272 -17.571 -3.201 1.00 0.00 H new ATOM 322 N LYS A 24 -2.319 -16.227 -4.749 1.00 0.00 N ATOM 323 CA LYS A 24 -1.272 -16.144 -5.759 1.00 0.00 C ATOM 324 C LYS A 24 0.059 -15.769 -5.117 1.00 0.00 C ATOM 325 O LYS A 24 1.111 -16.286 -5.494 1.00 0.00 O ATOM 326 CB LYS A 24 -1.647 -15.106 -6.820 1.00 0.00 C ATOM 327 CG LYS A 24 -0.633 -15.158 -7.964 1.00 0.00 C ATOM 328 CD LYS A 24 -0.906 -14.018 -8.947 1.00 0.00 C ATOM 329 CE LYS A 24 -1.997 -14.442 -9.931 1.00 0.00 C ATOM 330 NZ LYS A 24 -2.841 -13.264 -10.279 1.00 0.00 N ATOM 0 H LYS A 24 -3.085 -15.566 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.170 -17.120 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.650 -15.304 -7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.663 -14.109 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.380 -15.076 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.698 -16.117 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.217 -13.124 -8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.006 -13.763 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.546 -14.858 -10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.613 -15.226 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.211 -13.375 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.634 -13.195 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.267 -12.398 -10.226 1.00 0.00 H new ATOM 344 N VAL A 25 0.004 -14.865 -4.144 1.00 0.00 N ATOM 345 CA VAL A 25 1.209 -14.427 -3.450 1.00 0.00 C ATOM 346 C VAL A 25 1.868 -15.601 -2.733 1.00 0.00 C ATOM 347 O VAL A 25 3.091 -15.741 -2.740 1.00 0.00 O ATOM 348 CB VAL A 25 0.857 -13.337 -2.434 1.00 0.00 C ATOM 349 CG1 VAL A 25 2.087 -13.006 -1.591 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.394 -12.082 -3.177 1.00 0.00 C ATOM 0 H VAL A 25 -0.857 -14.424 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 25 1.907 -14.027 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 25 0.058 -13.691 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.835 -12.230 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.417 -13.900 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.888 -12.651 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.143 -11.304 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.194 -11.729 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.485 -12.318 -3.777 1.00 0.00 H new ATOM 360 N LEU A 26 1.046 -16.444 -2.118 1.00 0.00 N ATOM 361 CA LEU A 26 1.551 -17.608 -1.399 1.00 0.00 C ATOM 362 C LEU A 26 2.338 -18.514 -2.341 1.00 0.00 C ATOM 363 O LEU A 26 3.337 -19.117 -1.948 1.00 0.00 O ATOM 364 CB LEU A 26 0.381 -18.389 -0.792 1.00 0.00 C ATOM 365 CG LEU A 26 0.911 -19.526 0.093 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.416 -18.964 1.425 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.219 -20.523 0.361 1.00 0.00 C ATOM 0 H LEU A 26 0.031 -16.344 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 26 2.213 -17.268 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.246 -17.720 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.245 -18.797 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 26 1.734 -20.024 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.790 -19.779 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.220 -18.252 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.598 -18.461 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.152 -21.333 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.039 -20.016 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.576 -20.931 -0.585 1.00 0.00 H new ATOM 379 N ALA A 27 1.877 -18.609 -3.584 1.00 0.00 N ATOM 380 CA ALA A 27 2.541 -19.450 -4.573 1.00 0.00 C ATOM 381 C ALA A 27 3.975 -18.988 -4.808 1.00 0.00 C ATOM 382 O ALA A 27 4.873 -19.805 -5.012 1.00 0.00 O ATOM 383 CB ALA A 27 1.767 -19.409 -5.892 1.00 0.00 C ATOM 0 H ALA A 27 1.052 -18.118 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 27 2.564 -20.471 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.268 -20.039 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.753 -19.775 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.728 -18.383 -6.259 1.00 0.00 H new ATOM 389 N ASP A 28 4.189 -17.676 -4.781 1.00 0.00 N ATOM 390 CA ASP A 28 5.525 -17.129 -4.996 1.00 0.00 C ATOM 391 C ASP A 28 6.324 -17.124 -3.695 1.00 0.00 C ATOM 392 O ASP A 28 6.107 -16.283 -2.821 1.00 0.00 O ATOM 393 CB ASP A 28 5.422 -15.706 -5.545 1.00 0.00 C ATOM 394 CG ASP A 28 6.812 -15.164 -5.858 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.762 -15.922 -5.743 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.908 -13.999 -6.208 1.00 0.00 O ATOM 0 H ASP A 28 3.464 -16.978 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 28 6.043 -17.760 -5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.809 -15.699 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.927 -15.062 -4.818 1.00 0.00 H new ATOM 401 N GLU A 29 7.249 -18.069 -3.577 1.00 0.00 N ATOM 402 CA GLU A 29 8.084 -18.173 -2.385 1.00 0.00 C ATOM 403 C GLU A 29 9.121 -17.053 -2.339 1.00 0.00 C ATOM 404 O GLU A 29 9.576 -16.659 -1.265 1.00 0.00 O ATOM 405 CB GLU A 29 8.796 -19.527 -2.365 1.00 0.00 C ATOM 406 CG GLU A 29 9.556 -19.687 -1.047 1.00 0.00 C ATOM 407 CD GLU A 29 10.352 -20.987 -1.058 1.00 0.00 C ATOM 408 OE1 GLU A 29 10.309 -21.676 -2.064 1.00 0.00 O ATOM 409 OE2 GLU A 29 10.993 -21.275 -0.061 1.00 0.00 O ATOM 0 H GLU A 29 7.440 -18.773 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 29 7.438 -18.082 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.071 -20.333 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.486 -19.599 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.228 -18.841 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.856 -19.687 -0.212 1.00 0.00 H new ATOM 416 N ARG A 30 9.511 -16.562 -3.512 1.00 0.00 N ATOM 417 CA ARG A 30 10.517 -15.507 -3.593 1.00 0.00 C ATOM 418 C ARG A 30 10.141 -14.307 -2.726 1.00 0.00 C ATOM 419 O ARG A 30 10.995 -13.734 -2.049 1.00 0.00 O ATOM 420 CB ARG A 30 10.676 -15.053 -5.045 1.00 0.00 C ATOM 421 CG ARG A 30 11.220 -16.210 -5.886 1.00 0.00 C ATOM 422 CD ARG A 30 11.499 -15.721 -7.308 1.00 0.00 C ATOM 423 NE ARG A 30 10.293 -15.144 -7.889 1.00 0.00 N ATOM 424 CZ ARG A 30 9.295 -15.915 -8.308 1.00 0.00 C ATOM 425 NH1 ARG A 30 9.385 -17.213 -8.203 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.224 -15.375 -8.823 1.00 0.00 N ATOM 0 H ARG A 30 9.149 -16.875 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 30 11.458 -15.914 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.716 -14.722 -5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.354 -14.201 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.134 -16.600 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.500 -17.028 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.296 -14.978 -7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.847 -16.550 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 30 10.214 -14.131 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.221 -17.635 -7.799 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.619 -17.805 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.153 -14.361 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.458 -15.967 -9.144 1.00 0.00 H new ATOM 440 N VAL A 31 8.868 -13.928 -2.745 1.00 0.00 N ATOM 441 CA VAL A 31 8.417 -12.792 -1.948 1.00 0.00 C ATOM 442 C VAL A 31 8.259 -13.192 -0.484 1.00 0.00 C ATOM 443 O VAL A 31 8.456 -12.376 0.417 1.00 0.00 O ATOM 444 CB VAL A 31 7.088 -12.262 -2.486 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.305 -11.654 -3.871 1.00 0.00 C ATOM 446 CG2 VAL A 31 6.091 -13.414 -2.593 1.00 0.00 C ATOM 0 H VAL A 31 8.139 -14.383 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 31 9.169 -12.006 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 31 6.700 -11.501 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.357 -11.276 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.021 -10.835 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.692 -12.417 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.142 -13.039 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.482 -14.172 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.936 -13.854 -1.608 1.00 0.00 H new ATOM 456 N ASN A 32 7.902 -14.451 -0.257 1.00 0.00 N ATOM 457 CA ASN A 32 7.718 -14.955 1.101 1.00 0.00 C ATOM 458 C ASN A 32 8.988 -14.768 1.927 1.00 0.00 C ATOM 459 O ASN A 32 8.926 -14.589 3.143 1.00 0.00 O ATOM 460 CB ASN A 32 7.349 -16.439 1.062 1.00 0.00 C ATOM 461 CG ASN A 32 5.990 -16.620 0.393 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.225 -15.664 0.268 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.642 -17.798 -0.047 1.00 0.00 N ATOM 0 H ASN A 32 7.735 -15.139 -0.991 1.00 0.00 H new ATOM 0 HA ASN A 32 6.911 -14.389 1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.110 -16.997 0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.322 -16.842 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.735 -17.927 -0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.277 -18.589 0.057 1.00 0.00 H new ATOM 470 N ARG A 33 10.137 -14.821 1.262 1.00 0.00 N ATOM 471 CA ARG A 33 11.413 -14.668 1.951 1.00 0.00 C ATOM 472 C ARG A 33 11.438 -13.382 2.773 1.00 0.00 C ATOM 473 O ARG A 33 11.955 -13.359 3.891 1.00 0.00 O ATOM 474 CB ARG A 33 12.551 -14.638 0.929 1.00 0.00 C ATOM 475 CG ARG A 33 12.618 -15.980 0.198 1.00 0.00 C ATOM 476 CD ARG A 33 13.770 -15.956 -0.808 1.00 0.00 C ATOM 477 NE ARG A 33 15.050 -15.920 -0.110 1.00 0.00 N ATOM 478 CZ ARG A 33 15.554 -17.010 0.457 1.00 0.00 C ATOM 479 NH1 ARG A 33 14.899 -18.138 0.397 1.00 0.00 N ATOM 480 NH2 ARG A 33 16.701 -16.954 1.075 1.00 0.00 N ATOM 0 H ARG A 33 10.211 -14.967 0.255 1.00 0.00 H new ATOM 0 HA ARG A 33 11.541 -15.515 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.391 -13.831 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.498 -14.437 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.763 -16.789 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.676 -16.174 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.722 -16.837 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.677 -15.085 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 33 15.567 -15.042 -0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.001 -18.181 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.285 -18.976 0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.212 -16.072 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.087 -17.792 1.510 1.00 0.00 H new ATOM 494 N PHE A 34 10.879 -12.314 2.216 1.00 0.00 N ATOM 495 CA PHE A 34 10.845 -11.029 2.907 1.00 0.00 C ATOM 496 C PHE A 34 9.886 -11.066 4.095 1.00 0.00 C ATOM 497 O PHE A 34 10.077 -10.353 5.079 1.00 0.00 O ATOM 498 CB PHE A 34 10.420 -9.926 1.936 1.00 0.00 C ATOM 499 CG PHE A 34 11.502 -9.724 0.903 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.578 -8.870 1.174 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.432 -10.392 -0.325 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.582 -8.684 0.216 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.436 -10.206 -1.283 1.00 0.00 C ATOM 504 CZ PHE A 34 13.512 -9.352 -1.012 1.00 0.00 C ATOM 0 H PHE A 34 10.445 -12.311 1.293 1.00 0.00 H new ATOM 0 HA PHE A 34 11.847 -10.820 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.483 -10.196 1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.242 -8.998 2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.633 -8.355 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.603 -11.052 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.411 -8.024 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.381 -10.721 -2.231 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.287 -9.209 -1.750 1.00 0.00 H new ATOM 514 N PHE A 35 8.847 -11.890 3.991 1.00 0.00 N ATOM 515 CA PHE A 35 7.859 -11.995 5.062 1.00 0.00 C ATOM 516 C PHE A 35 8.266 -13.047 6.091 1.00 0.00 C ATOM 517 O PHE A 35 7.483 -13.396 6.974 1.00 0.00 O ATOM 518 CB PHE A 35 6.491 -12.354 4.477 1.00 0.00 C ATOM 519 CG PHE A 35 6.002 -11.220 3.609 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.395 -10.102 4.195 1.00 0.00 C ATOM 521 CD2 PHE A 35 6.152 -11.284 2.220 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.939 -9.050 3.392 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.697 -10.232 1.416 1.00 0.00 C ATOM 524 CZ PHE A 35 5.090 -9.114 2.002 1.00 0.00 C ATOM 0 H PHE A 35 8.668 -12.489 3.185 1.00 0.00 H new ATOM 0 HA PHE A 35 7.803 -11.029 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.563 -13.270 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.779 -12.545 5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.279 -10.052 5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.619 -12.146 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.471 -8.189 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.814 -10.283 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.739 -8.302 1.382 1.00 0.00 H new ATOM 534 N VAL A 36 9.492 -13.547 5.977 1.00 0.00 N ATOM 535 CA VAL A 36 9.979 -14.557 6.912 1.00 0.00 C ATOM 536 C VAL A 36 9.890 -14.045 8.346 1.00 0.00 C ATOM 537 O VAL A 36 9.537 -14.791 9.260 1.00 0.00 O ATOM 538 CB VAL A 36 11.429 -14.917 6.589 1.00 0.00 C ATOM 539 CG1 VAL A 36 12.006 -15.776 7.716 1.00 0.00 C ATOM 540 CG2 VAL A 36 11.475 -15.704 5.278 1.00 0.00 C ATOM 0 H VAL A 36 10.160 -13.274 5.256 1.00 0.00 H new ATOM 0 HA VAL A 36 9.355 -15.445 6.813 1.00 0.00 H new ATOM 0 HB VAL A 36 12.017 -14.004 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 36 13.040 -16.032 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.971 -15.219 8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.419 -16.689 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.508 -15.962 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.887 -16.616 5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.063 -15.095 4.473 1.00 0.00 H new ATOM 550 N ASN A 37 10.211 -12.770 8.538 1.00 0.00 N ATOM 551 CA ASN A 37 10.162 -12.173 9.867 1.00 0.00 C ATOM 552 C ASN A 37 8.747 -11.702 10.189 1.00 0.00 C ATOM 553 O ASN A 37 8.504 -11.106 11.238 1.00 0.00 O ATOM 554 CB ASN A 37 11.128 -10.990 9.945 1.00 0.00 C ATOM 555 CG ASN A 37 12.557 -11.466 9.713 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.840 -12.659 9.827 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.480 -10.602 9.391 1.00 0.00 N ATOM 0 H ASN A 37 10.506 -12.135 7.796 1.00 0.00 H new ATOM 0 HA ASN A 37 10.456 -12.928 10.596 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.860 -10.242 9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.050 -10.510 10.921 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.438 -10.914 9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.243 -9.614 9.297 1.00 0.00 H new ATOM 564 N THR A 38 7.818 -11.978 9.280 1.00 0.00 N ATOM 565 CA THR A 38 6.428 -11.580 9.474 1.00 0.00 C ATOM 566 C THR A 38 5.509 -12.795 9.386 1.00 0.00 C ATOM 567 O THR A 38 5.704 -13.672 8.544 1.00 0.00 O ATOM 568 CB THR A 38 6.023 -10.555 8.412 1.00 0.00 C ATOM 569 OG1 THR A 38 6.925 -9.458 8.450 1.00 0.00 O ATOM 570 CG2 THR A 38 4.604 -10.062 8.691 1.00 0.00 C ATOM 0 H THR A 38 8.000 -12.473 8.407 1.00 0.00 H new ATOM 0 HA THR A 38 6.332 -11.133 10.464 1.00 0.00 H new ATOM 0 HB THR A 38 6.055 -11.019 7.426 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.669 -8.801 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.317 -9.332 7.934 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.914 -10.905 8.662 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.568 -9.597 9.676 1.00 0.00 H new ATOM 578 N ASP A 39 4.507 -12.843 10.258 1.00 0.00 N ATOM 579 CA ASP A 39 3.567 -13.958 10.262 1.00 0.00 C ATOM 580 C ASP A 39 2.538 -13.796 9.147 1.00 0.00 C ATOM 581 O ASP A 39 2.409 -12.722 8.557 1.00 0.00 O ATOM 582 CB ASP A 39 2.856 -14.041 11.615 1.00 0.00 C ATOM 583 CG ASP A 39 2.017 -12.789 11.841 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.832 -12.047 10.892 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.575 -12.591 12.960 1.00 0.00 O ATOM 0 H ASP A 39 4.326 -12.130 10.965 1.00 0.00 H new ATOM 0 HA ASP A 39 4.125 -14.879 10.092 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.220 -14.926 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.589 -14.146 12.415 1.00 0.00 H new ATOM 590 N MET A 40 1.814 -14.873 8.857 1.00 0.00 N ATOM 591 CA MET A 40 0.804 -14.847 7.803 1.00 0.00 C ATOM 592 C MET A 40 -0.289 -13.825 8.104 1.00 0.00 C ATOM 593 O MET A 40 -0.819 -13.189 7.193 1.00 0.00 O ATOM 594 CB MET A 40 0.175 -16.234 7.652 1.00 0.00 C ATOM 595 CG MET A 40 1.221 -17.216 7.122 1.00 0.00 C ATOM 596 SD MET A 40 0.439 -18.821 6.819 1.00 0.00 S ATOM 597 CE MET A 40 1.934 -19.714 6.328 1.00 0.00 C ATOM 0 H MET A 40 1.907 -15.770 9.334 1.00 0.00 H new ATOM 0 HA MET A 40 1.297 -14.559 6.874 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.207 -16.578 8.613 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.674 -16.187 6.970 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.661 -16.834 6.201 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.032 -17.324 7.842 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.680 -20.747 6.091 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.371 -19.238 5.450 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.654 -19.696 7.146 1.00 0.00 H new ATOM 607 N ALA A 41 -0.634 -13.679 9.379 1.00 0.00 N ATOM 608 CA ALA A 41 -1.680 -12.738 9.768 1.00 0.00 C ATOM 609 C ALA A 41 -1.303 -11.310 9.383 1.00 0.00 C ATOM 610 O ALA A 41 -2.047 -10.633 8.674 1.00 0.00 O ATOM 611 CB ALA A 41 -1.915 -12.814 11.278 1.00 0.00 C ATOM 0 H ALA A 41 -0.211 -14.193 10.152 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.594 -13.010 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.697 -12.109 11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.223 -13.824 11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.993 -12.563 11.803 1.00 0.00 H new ATOM 617 N LYS A 42 -0.147 -10.858 9.854 1.00 0.00 N ATOM 618 CA LYS A 42 0.314 -9.507 9.549 1.00 0.00 C ATOM 619 C LYS A 42 0.523 -9.331 8.049 1.00 0.00 C ATOM 620 O LYS A 42 0.284 -8.254 7.502 1.00 0.00 O ATOM 621 CB LYS A 42 1.622 -9.217 10.287 1.00 0.00 C ATOM 622 CG LYS A 42 1.368 -9.214 11.796 1.00 0.00 C ATOM 623 CD LYS A 42 2.649 -8.806 12.528 1.00 0.00 C ATOM 624 CE LYS A 42 2.429 -8.905 14.038 1.00 0.00 C ATOM 625 NZ LYS A 42 1.679 -7.707 14.510 1.00 0.00 N ATOM 0 H LYS A 42 0.484 -11.401 10.444 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.451 -8.805 9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.369 -9.970 10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.023 -8.253 9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.562 -8.522 12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.048 -10.203 12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.474 -9.452 12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.927 -7.788 12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.874 -9.812 14.277 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.388 -8.973 14.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.529 -7.774 15.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.225 -6.849 14.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.759 -7.662 14.028 1.00 0.00 H new ATOM 639 N GLN A 43 0.983 -10.390 7.389 1.00 0.00 N ATOM 640 CA GLN A 43 1.230 -10.332 5.953 1.00 0.00 C ATOM 641 C GLN A 43 -0.034 -9.931 5.201 1.00 0.00 C ATOM 642 O GLN A 43 0.008 -9.085 4.308 1.00 0.00 O ATOM 643 CB GLN A 43 1.711 -11.697 5.454 1.00 0.00 C ATOM 644 CG GLN A 43 2.134 -11.587 3.989 1.00 0.00 C ATOM 645 CD GLN A 43 2.533 -12.960 3.457 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.580 -13.977 4.274 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.808 -13.109 2.267 1.00 0.00 N flip ATOM 0 H GLN A 43 1.190 -11.290 7.821 1.00 0.00 H new ATOM 0 HA GLN A 43 1.998 -9.582 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.549 -12.043 6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.916 -12.435 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.315 -11.182 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.970 -10.894 3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.770 -12.312 1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.074 -14.029 1.916 1.00 0.00 H new ATOM 656 N LYS A 44 -1.159 -10.536 5.567 1.00 0.00 N ATOM 657 CA LYS A 44 -2.425 -10.224 4.914 1.00 0.00 C ATOM 658 C LYS A 44 -2.780 -8.753 5.100 1.00 0.00 C ATOM 659 O LYS A 44 -3.349 -8.124 4.208 1.00 0.00 O ATOM 660 CB LYS A 44 -3.541 -11.102 5.483 1.00 0.00 C ATOM 661 CG LYS A 44 -3.286 -12.563 5.097 1.00 0.00 C ATOM 662 CD LYS A 44 -4.396 -13.450 5.668 1.00 0.00 C ATOM 663 CE LYS A 44 -5.687 -13.256 4.866 1.00 0.00 C ATOM 664 NZ LYS A 44 -6.760 -12.751 5.768 1.00 0.00 N ATOM 0 H LYS A 44 -1.221 -11.238 6.304 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.318 -10.424 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.580 -11.002 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.507 -10.776 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.251 -12.662 4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.317 -12.886 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.091 -14.496 5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.568 -13.202 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.520 -12.551 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.992 -14.199 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.637 -12.619 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.925 -13.439 6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.468 -11.842 6.180 1.00 0.00 H new ATOM 678 N GLN A 45 -2.444 -8.209 6.265 1.00 0.00 N ATOM 679 CA GLN A 45 -2.738 -6.811 6.556 1.00 0.00 C ATOM 680 C GLN A 45 -2.060 -5.893 5.544 1.00 0.00 C ATOM 681 O GLN A 45 -2.650 -4.912 5.092 1.00 0.00 O ATOM 682 CB GLN A 45 -2.258 -6.460 7.966 1.00 0.00 C ATOM 683 CG GLN A 45 -2.751 -5.061 8.343 1.00 0.00 C ATOM 684 CD GLN A 45 -4.249 -5.095 8.618 1.00 0.00 C ATOM 685 OE1 GLN A 45 -4.695 -5.762 9.552 1.00 0.00 O ATOM 686 NE2 GLN A 45 -5.059 -4.411 7.857 1.00 0.00 N ATOM 0 H GLN A 45 -1.972 -8.710 7.017 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.817 -6.668 6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.631 -7.193 8.681 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.170 -6.497 8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.219 -4.704 9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.537 -4.361 7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.688 -3.859 7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.063 -4.428 8.036 1.00 0.00 H new ATOM 695 N HIS A 46 -0.817 -6.214 5.197 1.00 0.00 N ATOM 696 CA HIS A 46 -0.072 -5.403 4.240 1.00 0.00 C ATOM 697 C HIS A 46 -0.772 -5.380 2.885 1.00 0.00 C ATOM 698 O HIS A 46 -0.897 -4.326 2.261 1.00 0.00 O ATOM 699 CB HIS A 46 1.346 -5.953 4.073 1.00 0.00 C ATOM 700 CG HIS A 46 2.117 -5.063 3.138 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.460 -5.457 1.854 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.613 -3.790 3.284 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.132 -4.439 1.284 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.253 -3.399 2.113 1.00 0.00 N ATOM 0 H HIS A 46 -0.309 -7.021 5.560 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.024 -4.385 4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.845 -6.003 5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.310 -6.969 3.680 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.243 -6.354 1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.520 -3.185 4.174 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.525 -4.461 0.278 1.00 0.00 H new ATOM 712 N GLN A 47 -1.224 -6.545 2.436 1.00 0.00 N ATOM 713 CA GLN A 47 -1.907 -6.639 1.151 1.00 0.00 C ATOM 714 C GLN A 47 -3.153 -5.762 1.138 1.00 0.00 C ATOM 715 O GLN A 47 -3.468 -5.134 0.129 1.00 0.00 O ATOM 716 CB GLN A 47 -2.295 -8.091 0.865 1.00 0.00 C ATOM 717 CG GLN A 47 -1.054 -8.899 0.466 1.00 0.00 C ATOM 718 CD GLN A 47 0.157 -8.478 1.293 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.611 -7.337 1.202 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.719 -9.342 2.092 1.00 0.00 N ATOM 0 H GLN A 47 -1.132 -7.429 2.936 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.225 -6.290 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.758 -8.533 1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.035 -8.127 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.246 -9.962 0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.845 -8.753 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.343 -10.287 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.535 -9.073 2.642 1.00 0.00 H new ATOM 729 N LYS A 48 -3.858 -5.718 2.265 1.00 0.00 N ATOM 730 CA LYS A 48 -5.063 -4.904 2.357 1.00 0.00 C ATOM 731 C LYS A 48 -4.725 -3.439 2.111 1.00 0.00 C ATOM 732 O LYS A 48 -5.397 -2.755 1.338 1.00 0.00 O ATOM 733 CB LYS A 48 -5.698 -5.061 3.740 1.00 0.00 C ATOM 734 CG LYS A 48 -7.029 -4.310 3.779 1.00 0.00 C ATOM 735 CD LYS A 48 -7.634 -4.415 5.180 1.00 0.00 C ATOM 736 CE LYS A 48 -9.036 -3.801 5.179 1.00 0.00 C ATOM 737 NZ LYS A 48 -10.049 -4.878 5.364 1.00 0.00 N ATOM 0 H LYS A 48 -3.619 -6.229 3.115 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.770 -5.239 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.857 -6.116 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.027 -4.673 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.876 -3.264 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.716 -4.727 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.683 -5.459 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.000 -3.899 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.123 -3.064 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.214 -3.276 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.002 -4.462 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.971 -5.565 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.882 -5.360 6.271 1.00 0.00 H new ATOM 751 N ASP A 49 -3.671 -2.965 2.768 1.00 0.00 N ATOM 752 CA ASP A 49 -3.241 -1.581 2.607 1.00 0.00 C ATOM 753 C ASP A 49 -2.734 -1.344 1.189 1.00 0.00 C ATOM 754 O ASP A 49 -3.000 -0.304 0.588 1.00 0.00 O ATOM 755 CB ASP A 49 -2.133 -1.258 3.610 1.00 0.00 C ATOM 756 CG ASP A 49 -2.683 -1.316 5.031 1.00 0.00 C ATOM 757 OD1 ASP A 49 -3.894 -1.352 5.175 1.00 0.00 O ATOM 758 OD2 ASP A 49 -1.885 -1.324 5.954 1.00 0.00 O ATOM 0 H ASP A 49 -3.103 -3.515 3.412 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.095 -0.929 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.313 -1.967 3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.726 -0.267 3.409 1.00 0.00 H new ATOM 763 N PHE A 50 -2.002 -2.320 0.662 1.00 0.00 N ATOM 764 CA PHE A 50 -1.458 -2.215 -0.687 1.00 0.00 C ATOM 765 C PHE A 50 -2.581 -2.082 -1.708 1.00 0.00 C ATOM 766 O PHE A 50 -2.525 -1.240 -2.604 1.00 0.00 O ATOM 767 CB PHE A 50 -0.622 -3.455 -1.009 1.00 0.00 C ATOM 768 CG PHE A 50 0.044 -3.284 -2.352 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.297 -2.666 -2.438 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.589 -3.745 -3.513 1.00 0.00 C ATOM 771 CE1 PHE A 50 1.916 -2.508 -3.683 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.030 -3.587 -4.758 1.00 0.00 C ATOM 773 CZ PHE A 50 1.283 -2.968 -4.843 1.00 0.00 C ATOM 0 H PHE A 50 -1.773 -3.188 1.146 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.828 -1.327 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.131 -3.609 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.256 -4.341 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.786 -2.311 -1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.555 -4.223 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.883 -2.031 -3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.459 -3.942 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.761 -2.846 -5.804 1.00 0.00 H new ATOM 783 N MET A 51 -3.599 -2.924 -1.565 1.00 0.00 N ATOM 784 CA MET A 51 -4.731 -2.898 -2.482 1.00 0.00 C ATOM 785 C MET A 51 -5.431 -1.544 -2.439 1.00 0.00 C ATOM 786 O MET A 51 -5.833 -1.013 -3.472 1.00 0.00 O ATOM 787 CB MET A 51 -5.725 -4.001 -2.108 1.00 0.00 C ATOM 788 CG MET A 51 -6.805 -4.107 -3.184 1.00 0.00 C ATOM 789 SD MET A 51 -8.048 -5.319 -2.669 1.00 0.00 S ATOM 790 CE MET A 51 -8.967 -5.382 -4.226 1.00 0.00 C ATOM 0 H MET A 51 -3.663 -3.627 -0.829 1.00 0.00 H new ATOM 0 HA MET A 51 -4.360 -3.066 -3.493 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.205 -4.953 -2.006 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.180 -3.781 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.272 -3.135 -3.343 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.360 -4.406 -4.133 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.796 -6.083 -4.131 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.355 -4.391 -4.460 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.304 -5.710 -5.027 1.00 0.00 H new ATOM 800 N THR A 52 -5.573 -0.990 -1.239 1.00 0.00 N ATOM 801 CA THR A 52 -6.228 0.304 -1.081 1.00 0.00 C ATOM 802 C THR A 52 -5.460 1.398 -1.819 1.00 0.00 C ATOM 803 O THR A 52 -6.056 2.284 -2.430 1.00 0.00 O ATOM 804 CB THR A 52 -6.330 0.661 0.405 1.00 0.00 C ATOM 805 OG1 THR A 52 -6.976 -0.397 1.100 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.139 1.949 0.569 1.00 0.00 C ATOM 0 H THR A 52 -5.247 -1.412 -0.369 1.00 0.00 H new ATOM 0 HA THR A 52 -7.228 0.233 -1.509 1.00 0.00 H new ATOM 0 HB THR A 52 -5.330 0.809 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.347 -1.137 1.227 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.211 2.201 1.627 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.644 2.760 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.140 1.804 0.162 1.00 0.00 H new ATOM 814 N TYR A 53 -4.134 1.330 -1.753 1.00 0.00 N ATOM 815 CA TYR A 53 -3.290 2.322 -2.413 1.00 0.00 C ATOM 816 C TYR A 53 -3.535 2.330 -3.921 1.00 0.00 C ATOM 817 O TYR A 53 -3.527 3.385 -4.554 1.00 0.00 O ATOM 818 CB TYR A 53 -1.816 2.021 -2.136 1.00 0.00 C ATOM 819 CG TYR A 53 -0.960 3.125 -2.709 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.728 4.288 -1.964 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.398 2.987 -3.984 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.065 5.313 -2.494 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.395 4.012 -4.514 1.00 0.00 C ATOM 824 CZ TYR A 53 0.626 5.175 -3.770 1.00 0.00 C ATOM 825 OH TYR A 53 1.409 6.185 -4.292 1.00 0.00 O ATOM 0 H TYR A 53 -3.622 0.603 -1.253 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.544 3.304 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.647 1.935 -1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.540 1.065 -2.580 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.161 4.394 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.576 2.090 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.244 6.210 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.829 3.905 -5.497 1.00 0.00 H new ATOM 0 HH TYR A 53 1.720 5.929 -5.185 1.00 0.00 H new ATOM 835 N ALA A 54 -3.743 1.147 -4.491 1.00 0.00 N ATOM 836 CA ALA A 54 -3.978 1.028 -5.928 1.00 0.00 C ATOM 837 C ALA A 54 -5.206 1.832 -6.348 1.00 0.00 C ATOM 838 O ALA A 54 -5.273 2.339 -7.468 1.00 0.00 O ATOM 839 CB ALA A 54 -4.174 -0.441 -6.303 1.00 0.00 C ATOM 0 H ALA A 54 -3.754 0.262 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.108 1.426 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.349 -0.522 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.281 -1.007 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.032 -0.843 -5.764 1.00 0.00 H new ATOM 845 N PHE A 55 -6.175 1.943 -5.448 1.00 0.00 N ATOM 846 CA PHE A 55 -7.396 2.688 -5.741 1.00 0.00 C ATOM 847 C PHE A 55 -7.240 4.155 -5.352 1.00 0.00 C ATOM 848 O PHE A 55 -8.215 4.905 -5.321 1.00 0.00 O ATOM 849 CB PHE A 55 -8.577 2.075 -4.985 1.00 0.00 C ATOM 850 CG PHE A 55 -8.987 0.782 -5.651 1.00 0.00 C ATOM 851 CD1 PHE A 55 -8.126 -0.319 -5.630 1.00 0.00 C ATOM 852 CD2 PHE A 55 -10.229 0.688 -6.291 1.00 0.00 C ATOM 853 CE1 PHE A 55 -8.504 -1.517 -6.248 1.00 0.00 C ATOM 854 CE2 PHE A 55 -10.608 -0.510 -6.909 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.746 -1.612 -6.887 1.00 0.00 C ATOM 0 H PHE A 55 -6.142 1.531 -4.516 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.584 2.631 -6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.301 1.890 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.415 2.772 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.168 -0.245 -5.137 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.894 1.539 -6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.838 -2.367 -6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.566 -0.583 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.039 -2.536 -7.363 1.00 0.00 H new ATOM 865 N GLY A 56 -6.008 4.555 -5.053 1.00 0.00 N ATOM 866 CA GLY A 56 -5.740 5.936 -4.665 1.00 0.00 C ATOM 867 C GLY A 56 -5.911 6.120 -3.162 1.00 0.00 C ATOM 868 O GLY A 56 -6.176 7.225 -2.687 1.00 0.00 O ATOM 0 H GLY A 56 -5.187 3.950 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.726 6.210 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.416 6.605 -5.197 1.00 0.00 H new ATOM 1005 N MET A 66 7.922 6.456 4.890 1.00 0.00 N ATOM 1006 CA MET A 66 7.587 5.124 4.402 1.00 0.00 C ATOM 1007 C MET A 66 8.854 4.307 4.177 1.00 0.00 C ATOM 1008 O MET A 66 8.871 3.095 4.393 1.00 0.00 O ATOM 1009 CB MET A 66 6.802 5.229 3.093 1.00 0.00 C ATOM 1010 CG MET A 66 5.452 5.895 3.360 1.00 0.00 C ATOM 1011 SD MET A 66 4.453 4.827 4.426 1.00 0.00 S ATOM 1012 CE MET A 66 3.981 6.087 5.636 1.00 0.00 C ATOM 0 HA MET A 66 6.973 4.624 5.151 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.367 5.808 2.363 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.652 4.237 2.666 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.600 6.865 3.835 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.932 6.077 2.420 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.349 5.637 6.402 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.877 6.499 6.101 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.433 6.885 5.135 1.00 0.00 H new ATOM 1022 N ARG A 67 9.915 4.979 3.741 1.00 0.00 N ATOM 1023 CA ARG A 67 11.182 4.304 3.490 1.00 0.00 C ATOM 1024 C ARG A 67 11.670 3.605 4.752 1.00 0.00 C ATOM 1025 O ARG A 67 12.240 2.515 4.689 1.00 0.00 O ATOM 1026 CB ARG A 67 12.231 5.317 3.027 1.00 0.00 C ATOM 1027 CG ARG A 67 11.792 5.937 1.699 1.00 0.00 C ATOM 1028 CD ARG A 67 12.892 6.863 1.179 1.00 0.00 C ATOM 1029 NE ARG A 67 12.407 7.625 0.033 1.00 0.00 N ATOM 1030 CZ ARG A 67 11.792 8.792 0.192 1.00 0.00 C ATOM 1031 NH1 ARG A 67 11.614 9.278 1.390 1.00 0.00 N ATOM 1032 NH2 ARG A 67 11.365 9.453 -0.849 1.00 0.00 N ATOM 0 H ARG A 67 9.923 5.982 3.556 1.00 0.00 H new ATOM 0 HA ARG A 67 11.029 3.559 2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.357 6.095 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.198 4.827 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.587 5.153 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.866 6.496 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.209 7.543 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.766 6.277 0.893 1.00 0.00 H new ATOM 0 HE ARG A 67 12.543 7.255 -0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.947 8.762 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.142 10.174 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.503 9.074 -1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.893 10.349 -0.726 1.00 0.00 H new ATOM 1046 N ALA A 68 11.442 4.238 5.898 1.00 0.00 N ATOM 1047 CA ALA A 68 11.863 3.666 7.172 1.00 0.00 C ATOM 1048 C ALA A 68 11.133 2.355 7.441 1.00 0.00 C ATOM 1049 O ALA A 68 11.707 1.415 7.990 1.00 0.00 O ATOM 1050 CB ALA A 68 11.576 4.653 8.306 1.00 0.00 C ATOM 0 H ALA A 68 10.972 5.140 5.971 1.00 0.00 H new ATOM 0 HA ALA A 68 12.934 3.468 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.893 4.219 9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.123 5.579 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.507 4.864 8.343 1.00 0.00 H new ATOM 1056 N ALA A 69 9.863 2.298 7.052 1.00 0.00 N ATOM 1057 CA ALA A 69 9.065 1.095 7.258 1.00 0.00 C ATOM 1058 C ALA A 69 9.630 -0.069 6.450 1.00 0.00 C ATOM 1059 O ALA A 69 9.613 -1.214 6.901 1.00 0.00 O ATOM 1060 CB ALA A 69 7.616 1.351 6.841 1.00 0.00 C ATOM 0 H ALA A 69 9.368 3.064 6.596 1.00 0.00 H new ATOM 0 HA ALA A 69 9.098 0.838 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.027 0.447 6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.203 2.162 7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.584 1.626 5.787 1.00 0.00 H new ATOM 1066 N HIS A 70 10.123 0.231 5.254 1.00 0.00 N ATOM 1067 CA HIS A 70 10.686 -0.801 4.391 1.00 0.00 C ATOM 1068 C HIS A 70 12.194 -0.915 4.594 1.00 0.00 C ATOM 1069 O HIS A 70 12.815 -1.889 4.170 1.00 0.00 O ATOM 1070 CB HIS A 70 10.389 -0.473 2.927 1.00 0.00 C ATOM 1071 CG HIS A 70 8.901 -0.447 2.712 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.170 0.731 2.732 1.00 0.00 N ATOM 1073 CD2 HIS A 70 7.991 -1.448 2.475 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.881 0.413 2.515 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.716 -0.903 2.351 1.00 0.00 N ATOM 0 H HIS A 70 10.145 1.172 4.862 1.00 0.00 H new ATOM 0 HA HIS A 70 10.227 -1.754 4.652 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.822 0.492 2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.849 -1.217 2.276 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.542 1.669 2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.229 -2.499 2.397 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.077 1.134 2.478 1.00 0.00 H new ATOM 1083 N GLN A 71 12.778 0.087 5.243 1.00 0.00 N ATOM 1084 CA GLN A 71 14.215 0.088 5.494 1.00 0.00 C ATOM 1085 C GLN A 71 14.631 -1.151 6.279 1.00 0.00 C ATOM 1086 O GLN A 71 15.697 -1.720 6.038 1.00 0.00 O ATOM 1087 CB GLN A 71 14.611 1.342 6.275 1.00 0.00 C ATOM 1088 CG GLN A 71 16.135 1.410 6.389 1.00 0.00 C ATOM 1089 CD GLN A 71 16.539 2.602 7.249 1.00 0.00 C ATOM 1090 OE1 GLN A 71 16.111 3.727 6.993 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.342 2.421 8.262 1.00 0.00 N ATOM 0 H GLN A 71 12.283 0.903 5.602 1.00 0.00 H new ATOM 0 HA GLN A 71 14.726 0.081 4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.233 2.232 5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.162 1.322 7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.517 0.488 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.579 1.499 5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.695 1.488 8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.616 3.213 8.843 1.00 0.00 H new ATOM 1100 N ASP A 72 13.789 -1.564 7.221 1.00 0.00 N ATOM 1101 CA ASP A 72 14.092 -2.737 8.034 1.00 0.00 C ATOM 1102 C ASP A 72 14.349 -3.949 7.147 1.00 0.00 C ATOM 1103 O ASP A 72 15.250 -4.745 7.413 1.00 0.00 O ATOM 1104 CB ASP A 72 12.926 -3.031 8.981 1.00 0.00 C ATOM 1105 CG ASP A 72 12.802 -1.918 10.017 1.00 0.00 C ATOM 1106 OD1 ASP A 72 13.715 -1.115 10.108 1.00 0.00 O ATOM 1107 OD2 ASP A 72 11.795 -1.886 10.705 1.00 0.00 O ATOM 0 H ASP A 72 12.902 -1.110 7.439 1.00 0.00 H new ATOM 0 HA ASP A 72 14.989 -2.531 8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.999 -3.116 8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.084 -3.987 9.480 1.00 0.00 H new ATOM 1112 N LEU A 73 13.556 -4.082 6.088 1.00 0.00 N ATOM 1113 CA LEU A 73 13.714 -5.198 5.164 1.00 0.00 C ATOM 1114 C LEU A 73 15.075 -5.132 4.478 1.00 0.00 C ATOM 1115 O LEU A 73 15.719 -6.156 4.249 1.00 0.00 O ATOM 1116 CB LEU A 73 12.609 -5.158 4.107 1.00 0.00 C ATOM 1117 CG LEU A 73 11.243 -5.295 4.783 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.139 -5.135 3.737 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.128 -6.676 5.433 1.00 0.00 C ATOM 0 H LEU A 73 12.803 -3.436 5.850 1.00 0.00 H new ATOM 0 HA LEU A 73 13.646 -6.128 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.658 -4.222 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.752 -5.964 3.387 1.00 0.00 H new ATOM 0 HG LEU A 73 11.139 -4.524 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.166 -5.232 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.218 -4.152 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.246 -5.906 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.155 -6.772 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.233 -7.447 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.914 -6.794 6.179 1.00 0.00 H new ATOM 1131 N VAL A 74 15.503 -3.917 4.149 1.00 0.00 N ATOM 1132 CA VAL A 74 16.785 -3.718 3.484 1.00 0.00 C ATOM 1133 C VAL A 74 17.939 -4.148 4.384 1.00 0.00 C ATOM 1134 O VAL A 74 18.910 -4.746 3.921 1.00 0.00 O ATOM 1135 CB VAL A 74 16.952 -2.244 3.111 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.364 -2.010 2.571 1.00 0.00 C ATOM 1137 CG2 VAL A 74 15.928 -1.872 2.036 1.00 0.00 C ATOM 0 H VAL A 74 14.983 -3.059 4.331 1.00 0.00 H new ATOM 0 HA VAL A 74 16.800 -4.331 2.583 1.00 0.00 H new ATOM 0 HB VAL A 74 16.794 -1.626 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.482 -0.960 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.094 -2.276 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.523 -2.628 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.046 -0.822 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.087 -2.491 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.921 -2.038 2.419 1.00 0.00 H new ATOM 1147 N GLU A 75 17.831 -3.832 5.670 1.00 0.00 N ATOM 1148 CA GLU A 75 18.877 -4.184 6.623 1.00 0.00 C ATOM 1149 C GLU A 75 19.042 -5.698 6.718 1.00 0.00 C ATOM 1150 O GLU A 75 20.154 -6.200 6.882 1.00 0.00 O ATOM 1151 CB GLU A 75 18.535 -3.620 8.003 1.00 0.00 C ATOM 1152 CG GLU A 75 18.536 -2.090 7.949 1.00 0.00 C ATOM 1153 CD GLU A 75 19.932 -1.579 7.609 1.00 0.00 C ATOM 1154 OE1 GLU A 75 20.874 -2.340 7.760 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.041 -0.433 7.204 1.00 0.00 O ATOM 0 H GLU A 75 17.036 -3.337 6.074 1.00 0.00 H new ATOM 0 HA GLU A 75 19.815 -3.754 6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.558 -3.982 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.260 -3.968 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.822 -1.744 7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.215 -1.684 8.908 1.00 0.00 H new ATOM 1162 N ASN A 76 17.932 -6.422 6.620 1.00 0.00 N ATOM 1163 CA ASN A 76 17.977 -7.878 6.703 1.00 0.00 C ATOM 1164 C ASN A 76 18.099 -8.501 5.315 1.00 0.00 C ATOM 1165 O ASN A 76 19.079 -9.185 5.017 1.00 0.00 O ATOM 1166 CB ASN A 76 16.712 -8.398 7.386 1.00 0.00 C ATOM 1167 CG ASN A 76 16.645 -7.886 8.820 1.00 0.00 C ATOM 1168 OD1 ASN A 76 17.658 -7.455 9.373 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.508 -7.906 9.459 1.00 0.00 N ATOM 0 H ASN A 76 17.000 -6.030 6.485 1.00 0.00 H new ATOM 0 HA ASN A 76 18.853 -8.159 7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.831 -8.072 6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.707 -9.488 7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.456 -7.564 10.419 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.671 -8.263 8.999 1.00 0.00 H new ATOM 1176 N ALA A 77 17.099 -8.264 4.473 1.00 0.00 N ATOM 1177 CA ALA A 77 17.107 -8.812 3.121 1.00 0.00 C ATOM 1178 C ALA A 77 17.300 -7.705 2.088 1.00 0.00 C ATOM 1179 O ALA A 77 16.827 -6.584 2.270 1.00 0.00 O ATOM 1180 CB ALA A 77 15.791 -9.543 2.848 1.00 0.00 C ATOM 0 H ALA A 77 16.279 -7.701 4.700 1.00 0.00 H new ATOM 0 HA ALA A 77 17.938 -9.513 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.804 -9.950 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.671 -10.356 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.960 -8.845 2.948 1.00 0.00 H new ATOM 1186 N GLY A 78 17.992 -8.031 1.002 1.00 0.00 N ATOM 1187 CA GLY A 78 18.233 -7.057 -0.056 1.00 0.00 C ATOM 1188 C GLY A 78 17.046 -6.995 -1.012 1.00 0.00 C ATOM 1189 O GLY A 78 16.754 -7.961 -1.717 1.00 0.00 O ATOM 0 H GLY A 78 18.393 -8.953 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.406 -6.074 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.135 -7.325 -0.606 1.00 0.00 H new ATOM 1193 N LEU A 79 16.363 -5.854 -1.027 1.00 0.00 N ATOM 1194 CA LEU A 79 15.206 -5.678 -1.898 1.00 0.00 C ATOM 1195 C LEU A 79 15.566 -4.817 -3.104 1.00 0.00 C ATOM 1196 O LEU A 79 16.164 -3.750 -2.960 1.00 0.00 O ATOM 1197 CB LEU A 79 14.064 -5.022 -1.119 1.00 0.00 C ATOM 1198 CG LEU A 79 12.811 -4.963 -1.996 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.318 -6.384 -2.281 1.00 0.00 C ATOM 1200 CD2 LEU A 79 11.711 -4.186 -1.268 1.00 0.00 C ATOM 0 H LEU A 79 16.588 -5.043 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 79 14.888 -6.659 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.858 -5.588 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.351 -4.017 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 79 13.052 -4.463 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.426 -6.341 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.097 -6.942 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.079 -6.882 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.819 -4.145 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.473 -4.686 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.057 -3.173 -1.062 1.00 0.00 H new ATOM 1212 N THR A 80 15.200 -5.286 -4.293 1.00 0.00 N ATOM 1213 CA THR A 80 15.491 -4.548 -5.516 1.00 0.00 C ATOM 1214 C THR A 80 14.203 -4.225 -6.272 1.00 0.00 C ATOM 1215 O THR A 80 13.140 -4.769 -5.969 1.00 0.00 O ATOM 1216 CB THR A 80 16.433 -5.360 -6.408 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.770 -6.532 -6.852 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.682 -5.747 -5.616 1.00 0.00 C ATOM 0 H THR A 80 14.705 -6.167 -4.435 1.00 0.00 H new ATOM 0 HA THR A 80 15.976 -3.610 -5.245 1.00 0.00 H new ATOM 0 HB THR A 80 16.724 -4.759 -7.270 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.980 -6.692 -6.294 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.352 -6.325 -6.253 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.192 -4.845 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.394 -6.347 -4.753 1.00 0.00 H new ATOM 1226 N ASP A 81 14.307 -3.326 -7.245 1.00 0.00 N ATOM 1227 CA ASP A 81 13.147 -2.915 -8.033 1.00 0.00 C ATOM 1228 C ASP A 81 12.467 -4.104 -8.707 1.00 0.00 C ATOM 1229 O ASP A 81 11.242 -4.134 -8.831 1.00 0.00 O ATOM 1230 CB ASP A 81 13.574 -1.905 -9.099 1.00 0.00 C ATOM 1231 CG ASP A 81 13.984 -0.593 -8.440 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.695 -0.426 -7.267 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.579 0.228 -9.120 1.00 0.00 O ATOM 0 H ASP A 81 15.180 -2.868 -7.508 1.00 0.00 H new ATOM 0 HA ASP A 81 12.431 -2.459 -7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.406 -2.306 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.754 -1.731 -9.796 1.00 0.00 H new ATOM 1238 N VAL A 82 13.255 -5.076 -9.156 1.00 0.00 N ATOM 1239 CA VAL A 82 12.688 -6.241 -9.831 1.00 0.00 C ATOM 1240 C VAL A 82 11.576 -6.860 -8.988 1.00 0.00 C ATOM 1241 O VAL A 82 10.542 -7.271 -9.517 1.00 0.00 O ATOM 1242 CB VAL A 82 13.776 -7.285 -10.097 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.024 -8.109 -8.832 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.321 -8.214 -11.225 1.00 0.00 C ATOM 0 H VAL A 82 14.271 -5.083 -9.068 1.00 0.00 H new ATOM 0 HA VAL A 82 12.269 -5.913 -10.782 1.00 0.00 H new ATOM 0 HB VAL A 82 14.698 -6.779 -10.384 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.799 -8.850 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.347 -7.450 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.103 -8.615 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.093 -8.959 -11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.398 -8.715 -10.933 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.147 -7.630 -12.129 1.00 0.00 H new ATOM 1254 N HIS A 83 11.787 -6.915 -7.678 1.00 0.00 N ATOM 1255 CA HIS A 83 10.786 -7.478 -6.778 1.00 0.00 C ATOM 1256 C HIS A 83 9.477 -6.707 -6.896 1.00 0.00 C ATOM 1257 O HIS A 83 8.395 -7.294 -6.906 1.00 0.00 O ATOM 1258 CB HIS A 83 11.291 -7.424 -5.335 1.00 0.00 C ATOM 1259 CG HIS A 83 12.490 -8.320 -5.191 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.786 -7.855 -5.358 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.608 -9.655 -4.896 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.619 -8.894 -5.166 1.00 0.00 C ATOM 1263 NE2 HIS A 83 13.952 -10.015 -4.881 1.00 0.00 N ATOM 0 H HIS A 83 12.634 -6.580 -7.218 1.00 0.00 H new ATOM 0 HA HIS A 83 10.610 -8.517 -7.057 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.554 -6.400 -5.068 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.503 -7.739 -4.651 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.783 -10.325 -4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.695 -8.829 -5.234 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.344 -10.938 -4.693 1.00 0.00 H new ATOM 1271 N PHE A 84 9.586 -5.385 -6.986 1.00 0.00 N ATOM 1272 CA PHE A 84 8.408 -4.534 -7.106 1.00 0.00 C ATOM 1273 C PHE A 84 7.592 -4.920 -8.335 1.00 0.00 C ATOM 1274 O PHE A 84 6.367 -5.019 -8.277 1.00 0.00 O ATOM 1275 CB PHE A 84 8.840 -3.071 -7.217 1.00 0.00 C ATOM 1276 CG PHE A 84 7.622 -2.178 -7.217 1.00 0.00 C ATOM 1277 CD1 PHE A 84 7.080 -1.733 -6.006 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.039 -1.791 -8.429 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.953 -0.902 -6.007 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.913 -0.960 -8.430 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.369 -0.515 -7.219 1.00 0.00 C ATOM 0 H PHE A 84 10.473 -4.882 -6.978 1.00 0.00 H new ATOM 0 HA PHE A 84 7.789 -4.668 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.493 -2.811 -6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.414 -2.920 -8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.531 -2.030 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.458 -2.134 -9.364 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.534 -0.559 -5.072 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.463 -0.662 -9.366 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.500 0.126 -7.220 1.00 0.00 H new ATOM 1291 N ASP A 85 8.282 -5.135 -9.449 1.00 0.00 N ATOM 1292 CA ASP A 85 7.618 -5.511 -10.691 1.00 0.00 C ATOM 1293 C ASP A 85 6.919 -6.860 -10.549 1.00 0.00 C ATOM 1294 O ASP A 85 5.873 -7.095 -11.154 1.00 0.00 O ATOM 1295 CB ASP A 85 8.639 -5.580 -11.828 1.00 0.00 C ATOM 1296 CG ASP A 85 7.923 -5.751 -13.163 1.00 0.00 C ATOM 1297 OD1 ASP A 85 6.704 -5.700 -13.170 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.603 -5.931 -14.160 1.00 0.00 O ATOM 0 H ASP A 85 9.297 -5.056 -9.518 1.00 0.00 H new ATOM 0 HA ASP A 85 6.868 -4.754 -10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.241 -4.671 -11.843 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.323 -6.413 -11.664 1.00 0.00 H new ATOM 1303 N ALA A 86 7.513 -7.751 -9.760 1.00 0.00 N ATOM 1304 CA ALA A 86 6.947 -9.082 -9.562 1.00 0.00 C ATOM 1305 C ALA A 86 5.566 -9.010 -8.916 1.00 0.00 C ATOM 1306 O ALA A 86 4.577 -9.451 -9.502 1.00 0.00 O ATOM 1307 CB ALA A 86 7.877 -9.916 -8.679 1.00 0.00 C ATOM 0 H ALA A 86 8.380 -7.578 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 86 6.844 -9.550 -10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.449 -10.908 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.851 -10.007 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.995 -9.428 -7.712 1.00 0.00 H new ATOM 1313 N ILE A 87 5.500 -8.459 -7.708 1.00 0.00 N ATOM 1314 CA ILE A 87 4.224 -8.353 -7.006 1.00 0.00 C ATOM 1315 C ILE A 87 3.258 -7.462 -7.782 1.00 0.00 C ATOM 1316 O ILE A 87 2.045 -7.665 -7.741 1.00 0.00 O ATOM 1317 CB ILE A 87 4.439 -7.785 -5.601 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.193 -8.042 -4.747 1.00 0.00 C ATOM 1319 CG2 ILE A 87 4.689 -6.279 -5.688 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.509 -7.743 -3.280 1.00 0.00 C ATOM 0 H ILE A 87 6.301 -8.084 -7.200 1.00 0.00 H new ATOM 0 HA ILE A 87 3.793 -9.351 -6.925 1.00 0.00 H new ATOM 0 HB ILE A 87 5.301 -8.272 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.370 -7.414 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.871 -9.078 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.842 -5.877 -4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.576 -6.092 -6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.828 -5.793 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.623 -7.926 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.319 -8.389 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.810 -6.700 -3.178 1.00 0.00 H new ATOM 1332 N ALA A 88 3.804 -6.477 -8.488 1.00 0.00 N ATOM 1333 CA ALA A 88 2.975 -5.568 -9.272 1.00 0.00 C ATOM 1334 C ALA A 88 2.324 -6.307 -10.437 1.00 0.00 C ATOM 1335 O ALA A 88 1.148 -6.102 -10.738 1.00 0.00 O ATOM 1336 CB ALA A 88 3.827 -4.416 -9.809 1.00 0.00 C ATOM 0 H ALA A 88 4.805 -6.289 -8.534 1.00 0.00 H new ATOM 0 HA ALA A 88 2.193 -5.171 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.201 -3.742 -10.393 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.268 -3.870 -8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.620 -4.814 -10.442 1.00 0.00 H new ATOM 1342 N GLU A 89 3.098 -7.170 -11.087 1.00 0.00 N ATOM 1343 CA GLU A 89 2.588 -7.938 -12.216 1.00 0.00 C ATOM 1344 C GLU A 89 1.436 -8.835 -11.776 1.00 0.00 C ATOM 1345 O GLU A 89 0.470 -9.029 -12.513 1.00 0.00 O ATOM 1346 CB GLU A 89 3.707 -8.795 -12.811 1.00 0.00 C ATOM 1347 CG GLU A 89 3.202 -9.491 -14.077 1.00 0.00 C ATOM 1348 CD GLU A 89 4.279 -10.423 -14.622 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.327 -10.512 -14.003 1.00 0.00 O ATOM 1350 OE2 GLU A 89 4.040 -11.035 -15.650 1.00 0.00 O ATOM 0 H GLU A 89 4.074 -7.354 -10.853 1.00 0.00 H new ATOM 0 HA GLU A 89 2.223 -7.242 -12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.570 -8.172 -13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.037 -9.536 -12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.297 -10.057 -13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.937 -8.748 -14.829 1.00 0.00 H new ATOM 1357 N ASN A 90 1.546 -9.378 -10.568 1.00 0.00 N ATOM 1358 CA ASN A 90 0.507 -10.252 -10.036 1.00 0.00 C ATOM 1359 C ASN A 90 -0.832 -9.525 -9.985 1.00 0.00 C ATOM 1360 O ASN A 90 -1.880 -10.116 -10.247 1.00 0.00 O ATOM 1361 CB ASN A 90 0.892 -10.721 -8.632 1.00 0.00 C ATOM 1362 CG ASN A 90 2.139 -11.596 -8.697 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.502 -12.082 -9.768 1.00 0.00 O ATOM 1364 ND2 ASN A 90 2.819 -11.830 -7.607 1.00 0.00 N ATOM 0 H ASN A 90 2.338 -9.230 -9.943 1.00 0.00 H new ATOM 0 HA ASN A 90 0.411 -11.116 -10.694 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.075 -9.860 -7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.068 -11.280 -8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.653 -12.417 -7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.516 -11.426 -6.721 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.791 -8.241 -9.645 1.00 0.00 N ATOM 1372 CA LEU A 91 -2.010 -7.444 -9.562 1.00 0.00 C ATOM 1373 C LEU A 91 -2.702 -7.386 -10.920 1.00 0.00 C ATOM 1374 O LEU A 91 -3.929 -7.444 -11.003 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.672 -6.025 -9.094 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.962 -5.231 -8.851 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.621 -5.688 -7.545 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.628 -3.742 -8.756 1.00 0.00 C ATOM 0 H LEU A 91 0.066 -7.733 -9.424 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.684 -7.912 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.083 -6.066 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.061 -5.522 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.651 -5.404 -9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.536 -5.119 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.861 -6.749 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.936 -5.521 -6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.542 -3.174 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.936 -3.576 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.167 -3.412 -9.687 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.910 -7.267 -11.979 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.462 -7.198 -13.327 1.00 0.00 C ATOM 1392 C VAL A 92 -3.200 -8.487 -13.677 1.00 0.00 C ATOM 1393 O VAL A 92 -4.291 -8.453 -14.246 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.340 -6.962 -14.338 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.902 -7.058 -15.757 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.744 -5.569 -14.119 1.00 0.00 C ATOM 0 H VAL A 92 -0.892 -7.217 -11.932 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.169 -6.369 -13.365 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.565 -7.716 -14.204 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.102 -6.890 -16.478 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.328 -8.049 -15.913 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.677 -6.304 -15.893 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.056 -5.398 -14.839 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.520 -4.816 -14.254 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.343 -5.500 -13.108 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.597 -9.620 -13.335 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.207 -10.914 -13.623 1.00 0.00 C ATOM 1408 C LEU A 93 -4.522 -11.072 -12.865 1.00 0.00 C ATOM 1409 O LEU A 93 -5.476 -11.659 -13.376 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.251 -12.041 -13.226 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.919 -11.874 -13.961 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.009 -13.038 -13.608 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.166 -11.865 -15.473 1.00 0.00 C ATOM 0 H LEU A 93 -1.695 -9.670 -12.862 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.410 -10.966 -14.693 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.086 -12.028 -12.149 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.692 -13.007 -13.469 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.457 -10.934 -13.661 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.958 -12.919 -14.132 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.187 -13.048 -12.533 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.455 -13.977 -13.908 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.217 -11.746 -15.996 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.629 -12.805 -15.772 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.827 -11.037 -15.729 1.00 0.00 H new ATOM 1425 N THR A 94 -4.564 -10.551 -11.643 1.00 0.00 N ATOM 1426 CA THR A 94 -5.768 -10.648 -10.825 1.00 0.00 C ATOM 1427 C THR A 94 -6.954 -9.990 -11.524 1.00 0.00 C ATOM 1428 O THR A 94 -8.065 -10.519 -11.511 1.00 0.00 O ATOM 1429 CB THR A 94 -5.534 -9.972 -9.472 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.382 -10.535 -8.857 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.752 -10.189 -8.574 1.00 0.00 C ATOM 0 H THR A 94 -3.786 -10.062 -11.200 1.00 0.00 H new ATOM 0 HA THR A 94 -5.994 -11.704 -10.674 1.00 0.00 H new ATOM 0 HB THR A 94 -5.382 -8.903 -9.620 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.577 -10.209 -9.311 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.584 -9.707 -7.611 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.634 -9.757 -9.047 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.907 -11.257 -8.423 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.711 -8.833 -12.133 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.770 -8.115 -12.833 1.00 0.00 C ATOM 1441 C LEU A 95 -8.296 -8.939 -14.003 1.00 0.00 C ATOM 1442 O LEU A 95 -9.490 -8.914 -14.303 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.243 -6.772 -13.344 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.707 -5.947 -12.172 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.229 -4.586 -12.680 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.817 -5.738 -11.139 1.00 0.00 C ATOM 0 H LEU A 95 -5.799 -8.377 -12.156 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.587 -7.940 -12.133 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.453 -6.936 -14.077 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.040 -6.227 -13.850 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.875 -6.479 -11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.847 -3.999 -11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.436 -4.730 -13.414 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.062 -4.058 -13.144 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.432 -5.150 -10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.650 -5.209 -11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.160 -6.706 -10.773 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.400 -9.667 -14.660 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.791 -10.494 -15.796 1.00 0.00 C ATOM 1460 C GLN A 96 -8.823 -11.533 -15.370 1.00 0.00 C ATOM 1461 O GLN A 96 -9.744 -11.852 -16.121 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.562 -11.197 -16.377 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.598 -10.154 -16.944 1.00 0.00 C ATOM 1464 CD GLN A 96 -4.347 -10.840 -17.483 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -4.086 -11.998 -17.161 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -3.553 -10.188 -18.288 1.00 0.00 N ATOM 0 H GLN A 96 -6.407 -9.702 -14.429 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.233 -9.851 -16.557 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.066 -11.784 -15.604 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.864 -11.892 -17.160 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.085 -9.591 -17.740 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.325 -9.439 -16.168 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.772 -9.228 -18.553 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.713 -10.639 -18.652 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.661 -12.054 -14.158 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.585 -13.055 -13.636 1.00 0.00 C ATOM 1477 C GLU A 97 -10.984 -12.465 -13.488 1.00 0.00 C ATOM 1478 O GLU A 97 -11.984 -13.171 -13.621 1.00 0.00 O ATOM 1479 CB GLU A 97 -9.095 -13.559 -12.277 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.758 -14.281 -12.453 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.290 -14.845 -11.116 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.902 -14.522 -10.112 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -6.325 -15.591 -11.116 1.00 0.00 O ATOM 0 H GLU A 97 -7.904 -11.802 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.626 -13.887 -14.338 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.981 -12.723 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.831 -14.235 -11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.863 -15.086 -13.180 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.012 -13.591 -12.847 1.00 0.00 H new ATOM 1490 N LEU A 98 -11.044 -11.167 -13.210 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.325 -10.489 -13.042 1.00 0.00 C ATOM 1492 C LEU A 98 -12.930 -10.136 -14.397 1.00 0.00 C ATOM 1493 O LEU A 98 -14.007 -9.544 -14.470 1.00 0.00 O ATOM 1494 CB LEU A 98 -12.134 -9.213 -12.218 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.450 -9.553 -10.893 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.342 -8.291 -10.036 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.275 -10.603 -10.145 1.00 0.00 C ATOM 0 H LEU A 98 -10.227 -10.567 -13.097 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.005 -11.162 -12.520 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.532 -8.495 -12.775 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.099 -8.742 -12.030 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.453 -9.947 -11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.855 -8.533 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.755 -7.541 -10.566 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.340 -7.898 -9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.787 -10.845 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.272 -10.209 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.355 -11.504 -10.753 1.00 0.00 H new ATOM 1509 N ASN A 99 -12.233 -10.503 -15.467 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.715 -10.219 -16.813 1.00 0.00 C ATOM 1511 C ASN A 99 -12.832 -8.713 -17.034 1.00 0.00 C ATOM 1512 O ASN A 99 -13.863 -8.219 -17.489 1.00 0.00 O ATOM 1513 CB ASN A 99 -14.081 -10.874 -17.027 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.375 -10.992 -18.518 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -13.462 -10.918 -19.340 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.604 -11.172 -18.920 1.00 0.00 N ATOM 0 H ASN A 99 -11.340 -10.994 -15.429 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.000 -10.626 -17.528 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.096 -11.861 -16.566 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.857 -10.283 -16.541 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.808 -11.251 -19.916 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -16.360 -11.233 -18.238 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.766 -7.990 -16.706 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.755 -6.541 -16.871 1.00 0.00 C ATOM 1525 C VAL A 100 -10.948 -6.153 -18.106 1.00 0.00 C ATOM 1526 O VAL A 100 -9.889 -6.719 -18.369 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.147 -5.879 -15.633 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.212 -4.358 -15.784 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.935 -6.300 -14.390 1.00 0.00 C ATOM 0 H VAL A 100 -10.904 -8.381 -16.327 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.782 -6.198 -16.997 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.108 -6.191 -15.529 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.779 -3.886 -14.902 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.652 -4.056 -16.669 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.251 -4.047 -15.889 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.502 -5.829 -13.508 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.974 -5.988 -14.495 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.891 -7.384 -14.281 1.00 0.00 H new ATOM 1539 N SER A 101 -11.462 -5.188 -18.863 1.00 0.00 N ATOM 1540 CA SER A 101 -10.780 -4.739 -20.072 1.00 0.00 C ATOM 1541 C SER A 101 -9.344 -4.332 -19.758 1.00 0.00 C ATOM 1542 O SER A 101 -9.069 -3.731 -18.720 1.00 0.00 O ATOM 1543 CB SER A 101 -11.528 -3.554 -20.683 1.00 0.00 C ATOM 1544 OG SER A 101 -10.903 -3.186 -21.906 1.00 0.00 O ATOM 0 H SER A 101 -12.339 -4.706 -18.664 1.00 0.00 H new ATOM 0 HA SER A 101 -10.763 -5.563 -20.785 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.571 -3.819 -20.859 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.525 -2.711 -19.992 1.00 0.00 H new ATOM 0 HG SER A 101 -11.381 -2.427 -22.302 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.433 -4.673 -20.663 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.022 -4.349 -20.480 1.00 0.00 C ATOM 1552 C GLN A 102 -6.819 -2.844 -20.329 1.00 0.00 C ATOM 1553 O GLN A 102 -5.962 -2.400 -19.565 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.213 -4.856 -21.676 1.00 0.00 C ATOM 1555 CG GLN A 102 -4.718 -4.707 -21.384 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.282 -5.746 -20.356 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -4.338 -6.946 -20.624 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -3.848 -5.353 -19.190 1.00 0.00 N ATOM 0 H GLN A 102 -8.645 -5.172 -21.527 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.678 -4.837 -19.568 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.453 -5.901 -21.874 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.477 -4.293 -22.571 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.145 -4.830 -22.303 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.510 -3.704 -21.011 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.803 -4.358 -18.972 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.554 -6.041 -18.497 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.600 -2.063 -21.069 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.479 -0.611 -21.010 1.00 0.00 C ATOM 1569 C ASP A 103 -7.641 -0.111 -19.577 1.00 0.00 C ATOM 1570 O ASP A 103 -6.894 0.758 -19.126 1.00 0.00 O ATOM 1571 CB ASP A 103 -8.540 0.037 -21.900 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.254 -0.279 -23.364 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.167 -0.757 -23.646 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -9.127 -0.038 -24.182 1.00 0.00 O ATOM 0 H ASP A 103 -8.316 -2.406 -21.710 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.486 -0.336 -21.366 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.529 -0.329 -21.627 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.546 1.116 -21.746 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.613 -0.668 -18.862 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.848 -0.269 -17.480 1.00 0.00 C ATOM 1581 C LEU A 104 -7.679 -0.694 -16.598 1.00 0.00 C ATOM 1582 O LEU A 104 -7.288 0.025 -15.678 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.141 -0.904 -16.962 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.319 -0.460 -17.832 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.610 -1.085 -17.302 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.442 1.065 -17.787 1.00 0.00 C ATOM 0 H LEU A 104 -9.244 -1.389 -19.212 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.941 0.816 -17.445 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.055 -1.991 -16.977 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.311 -0.612 -15.926 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.151 -0.783 -18.859 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.449 -0.768 -17.922 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.527 -2.171 -17.331 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.776 -0.761 -16.274 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.281 1.381 -18.407 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.609 1.386 -16.759 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.523 1.515 -18.163 1.00 0.00 H new ATOM 1598 N ILE A 105 -7.127 -1.868 -16.887 1.00 0.00 N ATOM 1599 CA ILE A 105 -6.001 -2.384 -16.118 1.00 0.00 C ATOM 1600 C ILE A 105 -4.799 -1.452 -16.233 1.00 0.00 C ATOM 1601 O ILE A 105 -4.083 -1.221 -15.259 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.619 -3.775 -16.625 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.816 -4.717 -16.475 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.443 -4.312 -15.808 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.483 -6.072 -17.101 1.00 0.00 C ATOM 0 H ILE A 105 -7.439 -2.477 -17.644 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.298 -2.446 -15.071 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.333 -3.713 -17.675 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.063 -4.843 -15.421 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.693 -4.287 -16.959 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.171 -5.304 -16.170 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.590 -3.641 -15.913 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.728 -4.375 -14.758 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.336 -6.742 -16.994 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.257 -5.938 -18.159 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.618 -6.503 -16.597 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.582 -0.924 -17.433 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.462 -0.020 -17.668 1.00 0.00 C ATOM 1619 C ASP A 106 -3.544 1.193 -16.750 1.00 0.00 C ATOM 1620 O ASP A 106 -2.528 1.671 -16.244 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.462 0.440 -19.126 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.155 -0.737 -20.046 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.743 -1.766 -19.539 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.338 -0.591 -21.243 1.00 0.00 O ATOM 0 H ASP A 106 -5.162 -1.105 -18.252 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.538 -0.557 -17.454 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.432 0.868 -19.381 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.720 1.226 -19.268 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.758 1.690 -16.536 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.954 2.850 -15.675 1.00 0.00 C ATOM 1631 C GLU A 107 -4.529 2.534 -14.245 1.00 0.00 C ATOM 1632 O GLU A 107 -3.970 3.384 -13.551 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.425 3.271 -15.692 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.806 3.738 -17.099 1.00 0.00 C ATOM 1635 CD GLU A 107 -8.250 4.226 -17.113 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -8.929 4.033 -16.118 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -8.656 4.786 -18.117 1.00 0.00 O ATOM 0 H GLU A 107 -5.613 1.312 -16.943 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.339 3.667 -16.052 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.057 2.435 -15.391 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.593 4.073 -14.973 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.140 4.539 -17.418 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.683 2.920 -17.808 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.794 1.307 -13.811 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.431 0.889 -12.461 1.00 0.00 C ATOM 1646 C VAL A 108 -2.915 0.886 -12.292 1.00 0.00 C ATOM 1647 O VAL A 108 -2.396 1.304 -11.257 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.979 -0.511 -12.183 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.455 -1.005 -10.833 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.508 -0.461 -12.148 1.00 0.00 C ATOM 0 H VAL A 108 -5.255 0.589 -14.369 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.864 1.596 -11.753 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.654 -1.192 -12.970 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.845 -2.003 -10.634 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.366 -1.039 -10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.780 -0.325 -10.046 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.900 -1.459 -11.950 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.832 0.219 -11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.883 -0.108 -13.109 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.213 0.410 -13.314 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.756 0.355 -13.269 1.00 0.00 C ATOM 1662 C VAL A 109 -0.168 1.756 -13.141 1.00 0.00 C ATOM 1663 O VAL A 109 0.795 1.971 -12.407 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.222 -0.309 -14.540 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.303 -0.204 -14.569 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.631 -1.784 -14.553 1.00 0.00 C ATOM 0 H VAL A 109 -2.625 0.059 -14.178 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.460 -0.230 -12.398 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.637 0.193 -15.414 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.683 -0.677 -15.474 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.596 0.846 -14.558 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.719 -0.706 -13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.252 -2.259 -15.458 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.215 -2.285 -13.679 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.718 -1.860 -14.532 1.00 0.00 H new ATOM 1676 N THR A 110 -0.754 2.705 -13.864 1.00 0.00 N ATOM 1677 CA THR A 110 -0.278 4.083 -13.827 1.00 0.00 C ATOM 1678 C THR A 110 -0.319 4.634 -12.405 1.00 0.00 C ATOM 1679 O THR A 110 0.593 5.344 -11.980 1.00 0.00 O ATOM 1680 CB THR A 110 -1.142 4.957 -14.740 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.162 4.399 -16.046 1.00 0.00 O ATOM 1682 CG2 THR A 110 -0.561 6.371 -14.795 1.00 0.00 C ATOM 0 H THR A 110 -1.553 2.547 -14.478 1.00 0.00 H new ATOM 0 HA THR A 110 0.754 4.097 -14.176 1.00 0.00 H new ATOM 0 HB THR A 110 -2.158 5.000 -14.348 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.747 3.613 -16.057 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.177 6.992 -15.445 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.547 6.798 -13.792 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.455 6.332 -15.187 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.381 4.308 -11.675 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.524 4.785 -10.303 1.00 0.00 C ATOM 1692 C ILE A 111 -0.325 4.361 -9.459 1.00 0.00 C ATOM 1693 O ILE A 111 0.291 5.186 -8.783 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.808 4.226 -9.688 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -4.013 4.721 -10.492 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.932 4.704 -8.240 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.283 4.038 -9.984 1.00 0.00 C ATOM 0 H ILE A 111 -2.148 3.722 -12.005 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.573 5.874 -10.320 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.777 3.137 -9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.107 5.803 -10.397 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.870 4.505 -11.551 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.847 4.305 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.073 4.354 -7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.964 5.793 -8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.140 4.391 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.188 2.959 -10.102 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.428 4.277 -8.930 1.00 0.00 H new ATOM 1709 N VAL A 112 0.003 3.075 -9.507 1.00 0.00 N ATOM 1710 CA VAL A 112 1.135 2.557 -8.746 1.00 0.00 C ATOM 1711 C VAL A 112 2.437 2.785 -9.505 1.00 0.00 C ATOM 1712 O VAL A 112 3.518 2.799 -8.915 1.00 0.00 O ATOM 1713 CB VAL A 112 0.949 1.062 -8.483 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.386 0.829 -7.775 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.956 0.307 -9.815 1.00 0.00 C ATOM 0 H VAL A 112 -0.494 2.376 -10.060 1.00 0.00 H new ATOM 0 HA VAL A 112 1.184 3.088 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 112 1.762 0.701 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.518 -0.237 -7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.394 1.367 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.199 1.190 -8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.824 -0.759 -9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.143 0.670 -10.443 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.907 0.472 -10.322 1.00 0.00 H new ATOM 1725 N GLY A 113 2.324 2.957 -10.818 1.00 0.00 N ATOM 1726 CA GLY A 113 3.496 3.177 -11.656 1.00 0.00 C ATOM 1727 C GLY A 113 4.061 4.579 -11.457 1.00 0.00 C ATOM 1728 O GLY A 113 4.063 5.393 -12.380 1.00 0.00 O ATOM 0 H GLY A 113 1.437 2.948 -11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.260 2.437 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.229 3.035 -12.703 1.00 0.00 H new ATOM 1732 N SER A 114 4.546 4.856 -10.250 1.00 0.00 N ATOM 1733 CA SER A 114 5.115 6.165 -9.954 1.00 0.00 C ATOM 1734 C SER A 114 6.598 6.037 -9.619 1.00 0.00 C ATOM 1735 O SER A 114 7.014 5.093 -8.947 1.00 0.00 O ATOM 1736 CB SER A 114 4.378 6.802 -8.776 1.00 0.00 C ATOM 1737 OG SER A 114 2.998 6.920 -9.095 1.00 0.00 O ATOM 0 H SER A 114 4.556 4.199 -9.470 1.00 0.00 H new ATOM 0 HA SER A 114 5.004 6.797 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.506 6.194 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.798 7.784 -8.557 1.00 0.00 H new ATOM 0 HG SER A 114 2.522 7.327 -8.341 1.00 0.00 H new ATOM 1743 N VAL A 115 7.390 6.992 -10.096 1.00 0.00 N ATOM 1744 CA VAL A 115 8.826 6.977 -9.847 1.00 0.00 C ATOM 1745 C VAL A 115 9.128 7.195 -8.368 1.00 0.00 C ATOM 1746 O VAL A 115 10.015 6.552 -7.805 1.00 0.00 O ATOM 1747 CB VAL A 115 9.509 8.070 -10.670 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.986 8.152 -10.283 1.00 0.00 C ATOM 1749 CG2 VAL A 115 9.391 7.736 -12.159 1.00 0.00 C ATOM 0 H VAL A 115 7.064 7.781 -10.654 1.00 0.00 H new ATOM 0 HA VAL A 115 9.209 6.000 -10.140 1.00 0.00 H new ATOM 0 HB VAL A 115 9.027 9.028 -10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.473 8.931 -10.870 1.00 0.00 H new ATOM 0 HG12 VAL A 115 11.072 8.389 -9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.468 7.194 -10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.878 8.515 -12.746 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.873 6.778 -12.356 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.339 7.677 -12.436 1.00 0.00 H new ATOM 1759 N GLN A 116 8.396 8.114 -7.746 1.00 0.00 N ATOM 1760 CA GLN A 116 8.609 8.419 -6.335 1.00 0.00 C ATOM 1761 C GLN A 116 8.421 7.177 -5.469 1.00 0.00 C ATOM 1762 O GLN A 116 9.212 6.921 -4.561 1.00 0.00 O ATOM 1763 CB GLN A 116 7.631 9.505 -5.885 1.00 0.00 C ATOM 1764 CG GLN A 116 7.979 9.948 -4.463 1.00 0.00 C ATOM 1765 CD GLN A 116 7.031 11.056 -4.016 1.00 0.00 C ATOM 1766 OE1 GLN A 116 6.245 11.562 -4.816 1.00 0.00 O ATOM 1767 NE2 GLN A 116 7.059 11.465 -2.777 1.00 0.00 N ATOM 0 H GLN A 116 7.656 8.656 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 116 9.634 8.772 -6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.679 10.356 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.609 9.126 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.908 9.100 -3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 116 9.009 10.302 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.711 11.044 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.428 12.206 -2.470 1.00 0.00 H new ATOM 1776 N HIS A 117 7.373 6.410 -5.749 1.00 0.00 N ATOM 1777 CA HIS A 117 7.102 5.201 -4.977 1.00 0.00 C ATOM 1778 C HIS A 117 8.231 4.191 -5.158 1.00 0.00 C ATOM 1779 O HIS A 117 8.734 3.626 -4.188 1.00 0.00 O ATOM 1780 CB HIS A 117 5.774 4.583 -5.420 1.00 0.00 C ATOM 1781 CG HIS A 117 5.301 3.603 -4.380 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.546 3.787 -3.029 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.575 2.441 -4.475 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.976 2.762 -2.368 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.368 1.910 -3.203 1.00 0.00 N ATOM 0 H HIS A 117 6.704 6.600 -6.495 1.00 0.00 H new ATOM 0 HA HIS A 117 7.037 5.469 -3.922 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.028 5.364 -5.564 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.897 4.080 -6.379 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.218 2.005 -5.396 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.006 2.642 -1.295 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.863 1.058 -2.961 1.00 0.00 H new ATOM 1793 N ARG A 118 8.627 3.972 -6.409 1.00 0.00 N ATOM 1794 CA ARG A 118 9.701 3.032 -6.706 1.00 0.00 C ATOM 1795 C ARG A 118 11.001 3.475 -6.042 1.00 0.00 C ATOM 1796 O ARG A 118 11.739 2.659 -5.490 1.00 0.00 O ATOM 1797 CB ARG A 118 9.905 2.937 -8.219 1.00 0.00 C ATOM 1798 CG ARG A 118 10.958 1.872 -8.528 1.00 0.00 C ATOM 1799 CD ARG A 118 11.202 1.821 -10.037 1.00 0.00 C ATOM 1800 NE ARG A 118 12.117 0.734 -10.366 1.00 0.00 N ATOM 1801 CZ ARG A 118 12.337 0.379 -11.627 1.00 0.00 C ATOM 1802 NH1 ARG A 118 11.724 1.004 -12.596 1.00 0.00 N ATOM 1803 NH2 ARG A 118 13.163 -0.594 -11.898 1.00 0.00 N ATOM 0 H ARG A 118 8.223 4.429 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 118 9.422 2.054 -6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.964 2.685 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 118 10.222 3.902 -8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.887 2.101 -8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.623 0.899 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.256 1.680 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.617 2.770 -10.377 1.00 0.00 H new ATOM 0 HE ARG A 118 12.596 0.238 -9.615 1.00 0.00 H new ATOM 0 HH11 ARG A 118 11.077 1.764 -12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 118 11.892 0.732 -13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.641 -1.083 -11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.331 -0.866 -12.867 1.00 0.00 H new ATOM 1817 N ASN A 119 11.276 4.775 -6.102 1.00 0.00 N ATOM 1818 CA ASN A 119 12.491 5.322 -5.506 1.00 0.00 C ATOM 1819 C ASN A 119 12.524 5.060 -4.005 1.00 0.00 C ATOM 1820 O ASN A 119 13.587 4.813 -3.431 1.00 0.00 O ATOM 1821 CB ASN A 119 12.562 6.829 -5.764 1.00 0.00 C ATOM 1822 CG ASN A 119 12.695 7.095 -7.260 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.438 8.286 -7.727 1.00 0.00 O flip ATOM 1824 ND2 ASN A 119 13.043 6.194 -8.023 1.00 0.00 N flip ATOM 0 H ASN A 119 10.678 5.466 -6.555 1.00 0.00 H new ATOM 0 HA ASN A 119 13.349 4.830 -5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.666 7.315 -5.378 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.412 7.258 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.243 5.264 -7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 119 13.131 6.378 -9.022 1.00 0.00 H new ATOM 1831 N ASP A 120 11.357 5.119 -3.372 1.00 0.00 N ATOM 1832 CA ASP A 120 11.267 4.888 -1.934 1.00 0.00 C ATOM 1833 C ASP A 120 11.787 3.499 -1.578 1.00 0.00 C ATOM 1834 O ASP A 120 12.453 3.320 -0.561 1.00 0.00 O ATOM 1835 CB ASP A 120 9.816 5.028 -1.472 1.00 0.00 C ATOM 1836 CG ASP A 120 9.359 6.474 -1.625 1.00 0.00 C ATOM 1837 OD1 ASP A 120 10.208 7.324 -1.835 1.00 0.00 O ATOM 1838 OD2 ASP A 120 8.165 6.711 -1.529 1.00 0.00 O ATOM 0 H ASP A 120 10.467 5.323 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 120 11.882 5.632 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 120 9.174 4.371 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.725 4.717 -0.431 1.00 0.00 H new ATOM 1843 N VAL A 121 11.479 2.519 -2.421 1.00 0.00 N ATOM 1844 CA VAL A 121 11.928 1.153 -2.178 1.00 0.00 C ATOM 1845 C VAL A 121 13.451 1.078 -2.211 1.00 0.00 C ATOM 1846 O VAL A 121 14.071 0.439 -1.360 1.00 0.00 O ATOM 1847 CB VAL A 121 11.347 0.216 -3.237 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.965 -1.175 -3.085 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.830 0.120 -3.056 1.00 0.00 C ATOM 0 H VAL A 121 10.926 2.643 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 121 11.580 0.846 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 121 11.573 0.607 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.550 -1.842 -3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 121 13.045 -1.109 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.741 -1.566 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.415 -0.548 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.606 -0.270 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.387 1.110 -3.165 1.00 0.00 H new ATOM 1859 N LEU A 122 14.045 1.738 -3.199 1.00 0.00 N ATOM 1860 CA LEU A 122 15.497 1.746 -3.341 1.00 0.00 C ATOM 1861 C LEU A 122 16.154 2.463 -2.166 1.00 0.00 C ATOM 1862 O LEU A 122 17.272 2.129 -1.771 1.00 0.00 O ATOM 1863 CB LEU A 122 15.892 2.440 -4.647 1.00 0.00 C ATOM 1864 CG LEU A 122 15.284 1.689 -5.833 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.659 2.401 -7.134 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.831 0.259 -5.866 1.00 0.00 C ATOM 0 H LEU A 122 13.547 2.272 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 122 15.842 0.712 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.544 3.473 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.978 2.470 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 122 14.199 1.665 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.226 1.866 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.275 3.421 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.744 2.424 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.398 -0.277 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.916 0.287 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.569 -0.252 -4.940 1.00 0.00 H new ATOM 1878 N ASN A 123 15.460 3.458 -1.620 1.00 0.00 N ATOM 1879 CA ASN A 123 15.995 4.225 -0.500 1.00 0.00 C ATOM 1880 C ASN A 123 17.309 4.886 -0.896 1.00 0.00 C ATOM 1881 O ASN A 123 18.275 4.880 -0.132 1.00 0.00 O ATOM 1882 CB ASN A 123 16.218 3.314 0.711 1.00 0.00 C ATOM 1883 CG ASN A 123 14.896 2.695 1.151 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.883 3.389 1.234 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.845 1.423 1.440 1.00 0.00 N ATOM 0 H ASN A 123 14.534 3.750 -1.932 1.00 0.00 H new ATOM 0 HA ASN A 123 15.273 4.997 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.930 2.528 0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.652 3.886 1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.964 1.002 1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.686 0.850 1.370 1.00 0.00 H new ATOM 1892 N ARG A 124 17.338 5.457 -2.096 1.00 0.00 N ATOM 1893 CA ARG A 124 18.539 6.120 -2.587 1.00 0.00 C ATOM 1894 C ARG A 124 19.146 7.001 -1.500 1.00 0.00 C ATOM 1895 O ARG A 124 20.358 7.141 -1.487 1.00 0.00 O ATOM 1896 CB ARG A 124 18.201 6.975 -3.810 1.00 0.00 C ATOM 1897 CG ARG A 124 17.731 6.073 -4.953 1.00 0.00 C ATOM 1898 CD ARG A 124 17.461 6.923 -6.195 1.00 0.00 C ATOM 1899 NE ARG A 124 18.712 7.453 -6.727 1.00 0.00 N ATOM 1900 CZ ARG A 124 18.813 7.827 -7.998 1.00 0.00 C ATOM 1901 NH1 ARG A 124 17.783 7.726 -8.792 1.00 0.00 N ATOM 1902 NH2 ARG A 124 19.943 8.297 -8.452 1.00 0.00 N ATOM 1903 OXT ARG A 124 18.390 7.522 -0.697 1.00 0.00 O ATOM 0 H ARG A 124 16.549 5.474 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 124 19.264 5.356 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 124 17.423 7.696 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 124 19.076 7.546 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 124 18.489 5.321 -5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 124 16.827 5.539 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 124 16.961 6.322 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 124 16.788 7.743 -5.944 1.00 0.00 H new ATOM 0 HE ARG A 124 19.522 7.538 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 124 16.900 7.360 -8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 124 17.861 8.013 -9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 124 20.748 8.377 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 124 20.021 8.584 -9.428 1.00 0.00 H new