USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 940 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 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 79 LYS NZ :NH3+ -172:sc= 0.39 (180deg=0) USER MOD Set 2.2: A 132 HIS : no HE2:sc= -0.775 K(o=-0.39,f=-1.8) USER MOD Set 3.1: A 73 ASN :FLIP amide:sc= 0.285 F(o=-1.9,f=-1) USER MOD Set 3.2: A 130 HIS : no HD1:sc= -1.33! K(o=-1!,f=-2.9) USER MOD Set 4.1: A 49 GLN : amide:sc= 0.81 K(o=2,f=-2.3) USER MOD Set 4.2: A 54 HIS : no HE2:sc= 1.19 K(o=2,f=-7.1!) USER MOD Single : A 29 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.42) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0667 F(o=-1.6!,f=-0.067) USER MOD Single : A 72 THR OG1 : rot -76:sc= 1.14 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -36:sc= 0.204 USER MOD Single : A 86 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 90:sc= 0.824 USER MOD Single : A 96 THR OG1 : rot 150:sc= 0.527 USER MOD Single : A 99 MET CE :methyl -170:sc= -3.3! (180deg=-3.47!) USER MOD Single : A 104 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 108 SER OG : rot 59:sc= 1.35 USER MOD Single : A 122 ASN : amide:sc= -0.0255 K(o=-0.026,f=-2.2!) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.0281 F(o=-1.2,f=-0.028) USER MOD Single : A 142 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.8) USER MOD Single : A 144 MET CE :methyl 176:sc= 0 (180deg=-0.00853) USER MOD Single : A 146 TYR OH : rot 36:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.966 5.338 -3.359 1.00 13.11 N ATOM 240 CA ALA A 18 -7.007 4.657 -4.208 1.00 64.24 C ATOM 241 C ALA A 18 -6.383 5.656 -5.160 1.00 50.31 C ATOM 242 O ALA A 18 -7.098 6.401 -5.855 1.00 42.45 O ATOM 243 CB ALA A 18 -7.691 3.541 -4.987 1.00 41.15 C ATOM 0 HA ALA A 18 -6.227 4.214 -3.588 1.00 64.24 H new ATOM 0 HB1 ALA A 18 -6.960 3.038 -5.620 1.00 41.15 H new ATOM 0 HB2 ALA A 18 -8.123 2.823 -4.290 1.00 41.15 H new ATOM 0 HB3 ALA A 18 -8.481 3.963 -5.609 1.00 41.15 H new ATOM 249 N GLY A 19 -5.085 5.724 -5.167 1.00 42.34 N ATOM 250 CA GLY A 19 -4.401 6.641 -6.012 1.00 42.32 C ATOM 251 C GLY A 19 -3.748 5.964 -7.173 1.00 0.20 C ATOM 252 O GLY A 19 -4.355 5.096 -7.830 1.00 64.42 O ATOM 0 H GLY A 19 -4.477 5.145 -4.587 1.00 42.34 H new ATOM 0 HA2 GLY A 19 -5.105 7.388 -6.379 1.00 42.32 H new ATOM 0 HA3 GLY A 19 -3.646 7.172 -5.432 1.00 42.32 H new ATOM 256 N ASP A 20 -2.520 6.325 -7.418 1.00 30.31 N ATOM 257 CA ASP A 20 -1.795 5.847 -8.569 1.00 34.12 C ATOM 258 C ASP A 20 -0.855 4.748 -8.151 1.00 12.42 C ATOM 259 O ASP A 20 -0.043 4.940 -7.253 1.00 71.25 O ATOM 260 CB ASP A 20 -1.025 7.000 -9.200 1.00 64.44 C ATOM 261 CG ASP A 20 -0.422 6.660 -10.535 1.00 20.32 C ATOM 262 OD1 ASP A 20 -1.171 6.653 -11.537 1.00 33.35 O ATOM 263 OD2 ASP A 20 0.809 6.465 -10.627 1.00 61.22 O ATOM 0 H ASP A 20 -1.988 6.962 -6.824 1.00 30.31 H new ATOM 0 HA ASP A 20 -2.493 5.448 -9.305 1.00 34.12 H new ATOM 0 HB2 ASP A 20 -1.695 7.852 -9.319 1.00 64.44 H new ATOM 0 HB3 ASP A 20 -0.232 7.311 -8.521 1.00 64.44 H new ATOM 268 N ASP A 21 -0.981 3.602 -8.785 1.00 31.04 N ATOM 269 CA ASP A 21 -0.184 2.428 -8.443 1.00 21.35 C ATOM 270 C ASP A 21 1.312 2.674 -8.722 1.00 54.42 C ATOM 271 O ASP A 21 1.693 3.161 -9.792 1.00 14.02 O ATOM 272 CB ASP A 21 -0.681 1.170 -9.200 1.00 12.53 C ATOM 273 CG ASP A 21 -0.433 1.204 -10.700 1.00 14.05 C ATOM 274 OD1 ASP A 21 -1.173 1.911 -11.445 1.00 22.12 O ATOM 275 OD2 ASP A 21 0.495 0.542 -11.164 1.00 62.02 O ATOM 0 H ASP A 21 -1.636 3.451 -9.552 1.00 31.04 H new ATOM 0 HA ASP A 21 -0.307 2.248 -7.375 1.00 21.35 H new ATOM 0 HB2 ASP A 21 -0.190 0.291 -8.782 1.00 12.53 H new ATOM 0 HB3 ASP A 21 -1.750 1.052 -9.023 1.00 12.53 H new ATOM 280 N VAL A 22 2.154 2.368 -7.748 1.00 5.23 N ATOM 281 CA VAL A 22 3.594 2.588 -7.881 1.00 12.15 C ATOM 282 C VAL A 22 4.323 1.219 -7.953 1.00 74.43 C ATOM 283 O VAL A 22 5.499 1.063 -7.631 1.00 54.43 O ATOM 284 CB VAL A 22 4.139 3.477 -6.712 1.00 61.14 C ATOM 285 CG1 VAL A 22 5.585 3.854 -6.947 1.00 71.30 C ATOM 286 CG2 VAL A 22 3.312 4.741 -6.556 1.00 51.10 C ATOM 0 H VAL A 22 1.870 1.966 -6.855 1.00 5.23 H new ATOM 0 HA VAL A 22 3.789 3.131 -8.806 1.00 12.15 H new ATOM 0 HB VAL A 22 4.066 2.888 -5.797 1.00 61.14 H new ATOM 0 HG11 VAL A 22 5.939 4.471 -6.121 1.00 71.30 H new ATOM 0 HG12 VAL A 22 6.191 2.950 -7.010 1.00 71.30 H new ATOM 0 HG13 VAL A 22 5.668 4.413 -7.879 1.00 71.30 H new ATOM 0 HG21 VAL A 22 3.713 5.339 -5.738 1.00 51.10 H new ATOM 0 HG22 VAL A 22 3.351 5.318 -7.480 1.00 51.10 H new ATOM 0 HG23 VAL A 22 2.278 4.475 -6.338 1.00 51.10 H new ATOM 296 N LEU A 23 3.625 0.261 -8.423 1.00 61.23 N ATOM 297 CA LEU A 23 4.187 -1.052 -8.642 1.00 23.51 C ATOM 298 C LEU A 23 4.111 -1.410 -10.101 1.00 55.31 C ATOM 299 O LEU A 23 3.554 -0.649 -10.897 1.00 13.14 O ATOM 300 CB LEU A 23 3.563 -2.150 -7.726 1.00 11.45 C ATOM 301 CG LEU A 23 2.034 -2.143 -7.463 1.00 2.13 C ATOM 302 CD1 LEU A 23 1.212 -2.214 -8.745 1.00 63.44 C ATOM 303 CD2 LEU A 23 1.663 -3.309 -6.563 1.00 0.31 C ATOM 0 H LEU A 23 2.640 0.345 -8.675 1.00 61.23 H new ATOM 0 HA LEU A 23 5.237 -1.011 -8.353 1.00 23.51 H new ATOM 0 HB2 LEU A 23 3.816 -3.119 -8.157 1.00 11.45 H new ATOM 0 HB3 LEU A 23 4.062 -2.091 -6.759 1.00 11.45 H new ATOM 0 HG LEU A 23 1.800 -1.195 -6.979 1.00 2.13 H new ATOM 0 HD11 LEU A 23 0.150 -2.206 -8.498 1.00 63.44 H new ATOM 0 HD12 LEU A 23 1.445 -1.355 -9.374 1.00 63.44 H new ATOM 0 HD13 LEU A 23 1.452 -3.132 -9.281 1.00 63.44 H new ATOM 0 HD21 LEU A 23 0.588 -3.300 -6.381 1.00 0.31 H new ATOM 0 HD22 LEU A 23 1.942 -4.245 -7.047 1.00 0.31 H new ATOM 0 HD23 LEU A 23 2.193 -3.219 -5.615 1.00 0.31 H new ATOM 315 N ASP A 24 4.707 -2.503 -10.466 1.00 63.10 N ATOM 316 CA ASP A 24 4.603 -2.981 -11.821 1.00 43.44 C ATOM 317 C ASP A 24 3.346 -3.824 -11.918 1.00 24.43 C ATOM 318 O ASP A 24 3.058 -4.587 -11.001 1.00 53.55 O ATOM 319 CB ASP A 24 5.830 -3.820 -12.217 1.00 20.23 C ATOM 320 CG ASP A 24 5.760 -4.310 -13.646 1.00 11.14 C ATOM 321 OD1 ASP A 24 5.160 -5.376 -13.910 1.00 45.41 O ATOM 322 OD2 ASP A 24 6.292 -3.639 -14.534 1.00 44.33 O ATOM 0 H ASP A 24 5.272 -3.085 -9.848 1.00 63.10 H new ATOM 0 HA ASP A 24 4.558 -2.133 -12.504 1.00 43.44 H new ATOM 0 HB2 ASP A 24 6.732 -3.223 -12.085 1.00 20.23 H new ATOM 0 HB3 ASP A 24 5.913 -4.675 -11.547 1.00 20.23 H new ATOM 327 N PRO A 25 2.554 -3.678 -12.987 1.00 72.20 N ATOM 328 CA PRO A 25 1.322 -4.457 -13.188 1.00 64.23 C ATOM 329 C PRO A 25 1.479 -5.999 -13.036 1.00 13.33 C ATOM 330 O PRO A 25 0.501 -6.694 -12.771 1.00 44.14 O ATOM 331 CB PRO A 25 0.906 -4.093 -14.608 1.00 33.35 C ATOM 332 CG PRO A 25 1.435 -2.720 -14.807 1.00 1.03 C ATOM 333 CD PRO A 25 2.735 -2.670 -14.058 1.00 4.35 C ATOM 0 HA PRO A 25 0.589 -4.213 -12.419 1.00 64.23 H new ATOM 0 HB2 PRO A 25 1.324 -4.789 -15.335 1.00 33.35 H new ATOM 0 HB3 PRO A 25 -0.177 -4.122 -14.725 1.00 33.35 H new ATOM 0 HG2 PRO A 25 1.585 -2.509 -15.866 1.00 1.03 H new ATOM 0 HG3 PRO A 25 0.737 -1.973 -14.429 1.00 1.03 H new ATOM 0 HD2 PRO A 25 3.579 -2.915 -14.702 1.00 4.35 H new ATOM 0 HD3 PRO A 25 2.925 -1.678 -13.648 1.00 4.35 H new ATOM 341 N ASP A 26 2.680 -6.527 -13.186 1.00 14.12 N ATOM 342 CA ASP A 26 2.873 -7.969 -13.020 1.00 42.41 C ATOM 343 C ASP A 26 3.275 -8.369 -11.608 1.00 43.32 C ATOM 344 O ASP A 26 3.418 -9.561 -11.325 1.00 72.14 O ATOM 345 CB ASP A 26 3.813 -8.587 -14.061 1.00 71.30 C ATOM 346 CG ASP A 26 3.122 -8.898 -15.370 1.00 33.53 C ATOM 347 OD1 ASP A 26 2.355 -9.884 -15.434 1.00 11.55 O ATOM 348 OD2 ASP A 26 3.306 -8.163 -16.359 1.00 44.15 O ATOM 0 H ASP A 26 3.522 -6.000 -13.417 1.00 14.12 H new ATOM 0 HA ASP A 26 1.884 -8.392 -13.200 1.00 42.41 H new ATOM 0 HB2 ASP A 26 4.641 -7.902 -14.247 1.00 71.30 H new ATOM 0 HB3 ASP A 26 4.242 -9.504 -13.656 1.00 71.30 H new ATOM 353 N GLU A 27 3.432 -7.391 -10.715 1.00 14.13 N ATOM 354 CA GLU A 27 3.741 -7.681 -9.309 1.00 70.32 C ATOM 355 C GLU A 27 2.540 -8.367 -8.660 1.00 33.01 C ATOM 356 O GLU A 27 1.393 -8.171 -9.110 1.00 44.43 O ATOM 357 CB GLU A 27 4.056 -6.393 -8.523 1.00 73.11 C ATOM 358 CG GLU A 27 5.358 -5.703 -8.883 1.00 23.24 C ATOM 359 CD GLU A 27 6.588 -6.492 -8.496 1.00 62.42 C ATOM 360 OE1 GLU A 27 6.986 -6.465 -7.309 1.00 4.04 O ATOM 361 OE2 GLU A 27 7.208 -7.142 -9.371 1.00 45.35 O ATOM 0 H GLU A 27 3.352 -6.398 -10.935 1.00 14.13 H new ATOM 0 HA GLU A 27 4.618 -8.328 -9.284 1.00 70.32 H new ATOM 0 HB2 GLU A 27 3.239 -5.688 -8.675 1.00 73.11 H new ATOM 0 HB3 GLU A 27 4.076 -6.634 -7.460 1.00 73.11 H new ATOM 0 HG2 GLU A 27 5.377 -5.520 -9.957 1.00 23.24 H new ATOM 0 HG3 GLU A 27 5.392 -4.730 -8.393 1.00 23.24 H new ATOM 368 N PRO A 28 2.769 -9.207 -7.634 1.00 63.32 N ATOM 369 CA PRO A 28 1.692 -9.861 -6.893 1.00 32.55 C ATOM 370 C PRO A 28 0.663 -8.834 -6.372 1.00 62.25 C ATOM 371 O PRO A 28 0.989 -7.935 -5.574 1.00 3.31 O ATOM 372 CB PRO A 28 2.420 -10.568 -5.727 1.00 64.54 C ATOM 373 CG PRO A 28 3.805 -10.011 -5.724 1.00 44.42 C ATOM 374 CD PRO A 28 4.093 -9.616 -7.137 1.00 33.20 C ATOM 0 HA PRO A 28 1.120 -10.553 -7.511 1.00 32.55 H new ATOM 0 HB2 PRO A 28 1.918 -10.377 -4.778 1.00 64.54 H new ATOM 0 HB3 PRO A 28 2.432 -11.649 -5.870 1.00 64.54 H new ATOM 0 HG2 PRO A 28 3.879 -9.153 -5.056 1.00 44.42 H new ATOM 0 HG3 PRO A 28 4.523 -10.752 -5.372 1.00 44.42 H new ATOM 0 HD2 PRO A 28 4.815 -8.801 -7.191 1.00 33.20 H new ATOM 0 HD3 PRO A 28 4.504 -10.445 -7.714 1.00 33.20 H new ATOM 382 N THR A 29 -0.559 -8.977 -6.816 1.00 62.23 N ATOM 383 CA THR A 29 -1.625 -8.046 -6.527 1.00 15.41 C ATOM 384 C THR A 29 -2.907 -8.852 -6.168 1.00 60.52 C ATOM 385 O THR A 29 -2.951 -10.052 -6.409 1.00 10.45 O ATOM 386 CB THR A 29 -1.856 -7.176 -7.807 1.00 53.14 C ATOM 387 OG1 THR A 29 -0.621 -6.550 -8.197 1.00 22.23 O ATOM 388 CG2 THR A 29 -2.886 -6.092 -7.591 1.00 2.42 C ATOM 0 H THR A 29 -0.849 -9.760 -7.401 1.00 62.23 H new ATOM 0 HA THR A 29 -1.376 -7.399 -5.686 1.00 15.41 H new ATOM 0 HB THR A 29 -2.221 -7.848 -8.584 1.00 53.14 H new ATOM 0 HG1 THR A 29 -0.049 -7.207 -8.647 1.00 22.23 H new ATOM 0 HG21 THR A 29 -3.008 -5.518 -8.509 1.00 2.42 H new ATOM 0 HG22 THR A 29 -3.839 -6.545 -7.317 1.00 2.42 H new ATOM 0 HG23 THR A 29 -2.555 -5.430 -6.791 1.00 2.42 H new ATOM 396 N TYR A 30 -3.884 -8.229 -5.531 1.00 1.32 N ATOM 397 CA TYR A 30 -5.149 -8.857 -5.255 1.00 32.33 C ATOM 398 C TYR A 30 -6.224 -7.985 -5.770 1.00 0.02 C ATOM 399 O TYR A 30 -6.022 -6.783 -5.947 1.00 2.52 O ATOM 400 CB TYR A 30 -5.391 -9.129 -3.771 1.00 40.01 C ATOM 401 CG TYR A 30 -4.695 -10.331 -3.207 1.00 52.42 C ATOM 402 CD1 TYR A 30 -4.873 -11.578 -3.785 1.00 25.03 C ATOM 403 CD2 TYR A 30 -3.882 -10.234 -2.093 1.00 74.44 C ATOM 404 CE1 TYR A 30 -4.258 -12.692 -3.279 1.00 55.11 C ATOM 405 CE2 TYR A 30 -3.259 -11.348 -1.571 1.00 13.02 C ATOM 406 CZ TYR A 30 -3.450 -12.579 -2.175 1.00 44.25 C ATOM 407 OH TYR A 30 -2.836 -13.695 -1.666 1.00 11.10 O ATOM 0 H TYR A 30 -3.814 -7.269 -5.192 1.00 1.32 H new ATOM 0 HA TYR A 30 -5.141 -9.829 -5.748 1.00 32.33 H new ATOM 0 HB2 TYR A 30 -5.078 -8.252 -3.204 1.00 40.01 H new ATOM 0 HB3 TYR A 30 -6.463 -9.245 -3.612 1.00 40.01 H new ATOM 0 HD1 TYR A 30 -5.510 -11.673 -4.652 1.00 25.03 H new ATOM 0 HD2 TYR A 30 -3.733 -9.272 -1.625 1.00 74.44 H new ATOM 0 HE1 TYR A 30 -4.408 -13.654 -3.746 1.00 55.11 H new ATOM 0 HE2 TYR A 30 -2.628 -11.261 -0.699 1.00 13.02 H new ATOM 0 HH TYR A 30 -2.298 -13.445 -0.886 1.00 11.10 H new ATOM 417 N ASP A 31 -7.350 -8.551 -5.964 1.00 30.35 N ATOM 418 CA ASP A 31 -8.479 -7.850 -6.478 1.00 40.44 C ATOM 419 C ASP A 31 -9.609 -8.289 -5.593 1.00 62.54 C ATOM 420 O ASP A 31 -9.506 -9.362 -4.979 1.00 53.21 O ATOM 421 CB ASP A 31 -8.738 -8.277 -7.934 1.00 51.11 C ATOM 422 CG ASP A 31 -9.661 -7.342 -8.692 1.00 71.15 C ATOM 423 OD1 ASP A 31 -10.764 -7.041 -8.211 1.00 42.33 O ATOM 424 OD2 ASP A 31 -9.277 -6.876 -9.799 1.00 54.12 O ATOM 0 H ASP A 31 -7.527 -9.536 -5.769 1.00 30.35 H new ATOM 0 HA ASP A 31 -8.348 -6.768 -6.483 1.00 40.44 H new ATOM 0 HB2 ASP A 31 -7.785 -8.337 -8.460 1.00 51.11 H new ATOM 0 HB3 ASP A 31 -9.168 -9.279 -7.938 1.00 51.11 H new ATOM 429 N LEU A 32 -10.656 -7.503 -5.529 1.00 62.12 N ATOM 430 CA LEU A 32 -11.752 -7.664 -4.562 1.00 44.04 C ATOM 431 C LEU A 32 -12.283 -9.112 -4.431 1.00 23.32 C ATOM 432 O LEU A 32 -12.294 -9.648 -3.313 1.00 53.55 O ATOM 433 CB LEU A 32 -12.881 -6.660 -4.831 1.00 3.43 C ATOM 434 CG LEU A 32 -12.481 -5.179 -4.789 1.00 64.22 C ATOM 435 CD1 LEU A 32 -13.664 -4.303 -5.133 1.00 23.05 C ATOM 436 CD2 LEU A 32 -11.921 -4.801 -3.421 1.00 71.13 C ATOM 0 H LEU A 32 -10.787 -6.710 -6.157 1.00 62.12 H new ATOM 0 HA LEU A 32 -11.318 -7.440 -3.588 1.00 44.04 H new ATOM 0 HB2 LEU A 32 -13.307 -6.874 -5.811 1.00 3.43 H new ATOM 0 HB3 LEU A 32 -13.671 -6.825 -4.098 1.00 3.43 H new ATOM 0 HG LEU A 32 -11.699 -5.020 -5.531 1.00 64.22 H new ATOM 0 HD11 LEU A 32 -13.363 -3.256 -5.099 1.00 23.05 H new ATOM 0 HD12 LEU A 32 -14.018 -4.546 -6.135 1.00 23.05 H new ATOM 0 HD13 LEU A 32 -14.465 -4.474 -4.414 1.00 23.05 H new ATOM 0 HD21 LEU A 32 -11.646 -3.746 -3.419 1.00 71.13 H new ATOM 0 HD22 LEU A 32 -12.677 -4.980 -2.656 1.00 71.13 H new ATOM 0 HD23 LEU A 32 -11.040 -5.406 -3.209 1.00 71.13 H new ATOM 448 N PRO A 33 -12.698 -9.790 -5.546 1.00 52.23 N ATOM 449 CA PRO A 33 -13.164 -11.177 -5.478 1.00 43.01 C ATOM 450 C PRO A 33 -12.099 -12.119 -4.896 1.00 55.24 C ATOM 451 O PRO A 33 -12.412 -13.010 -4.098 1.00 21.02 O ATOM 452 CB PRO A 33 -13.460 -11.546 -6.946 1.00 21.34 C ATOM 453 CG PRO A 33 -12.768 -10.508 -7.758 1.00 11.34 C ATOM 454 CD PRO A 33 -12.793 -9.266 -6.932 1.00 1.44 C ATOM 0 HA PRO A 33 -14.030 -11.277 -4.823 1.00 43.01 H new ATOM 0 HB2 PRO A 33 -13.089 -12.543 -7.184 1.00 21.34 H new ATOM 0 HB3 PRO A 33 -14.532 -11.549 -7.142 1.00 21.34 H new ATOM 0 HG2 PRO A 33 -11.745 -10.807 -7.985 1.00 11.34 H new ATOM 0 HG3 PRO A 33 -13.274 -10.355 -8.711 1.00 11.34 H new ATOM 0 HD2 PRO A 33 -11.961 -8.604 -7.172 1.00 1.44 H new ATOM 0 HD3 PRO A 33 -13.709 -8.696 -7.087 1.00 1.44 H new ATOM 462 N ARG A 34 -10.834 -11.895 -5.267 1.00 64.51 N ATOM 463 CA ARG A 34 -9.754 -12.736 -4.824 1.00 41.15 C ATOM 464 C ARG A 34 -9.479 -12.514 -3.341 1.00 52.12 C ATOM 465 O ARG A 34 -9.134 -13.438 -2.632 1.00 4.12 O ATOM 466 CB ARG A 34 -8.489 -12.481 -5.642 1.00 31.31 C ATOM 467 CG ARG A 34 -7.528 -13.660 -5.677 1.00 71.54 C ATOM 468 CD ARG A 34 -8.155 -14.804 -6.456 1.00 10.43 C ATOM 469 NE ARG A 34 -7.285 -15.973 -6.581 1.00 15.30 N ATOM 470 CZ ARG A 34 -7.125 -16.692 -7.700 1.00 24.01 C ATOM 471 NH1 ARG A 34 -7.473 -16.185 -8.875 1.00 43.04 N ATOM 472 NH2 ARG A 34 -6.529 -17.875 -7.651 1.00 51.40 N ATOM 0 H ARG A 34 -10.548 -11.129 -5.877 1.00 64.51 H new ATOM 0 HA ARG A 34 -10.052 -13.774 -4.974 1.00 41.15 H new ATOM 0 HB2 ARG A 34 -8.774 -12.227 -6.663 1.00 31.31 H new ATOM 0 HB3 ARG A 34 -7.971 -11.615 -5.231 1.00 31.31 H new ATOM 0 HG2 ARG A 34 -6.588 -13.362 -6.141 1.00 71.54 H new ATOM 0 HG3 ARG A 34 -7.294 -13.982 -4.662 1.00 71.54 H new ATOM 0 HD2 ARG A 34 -9.082 -15.102 -5.965 1.00 10.43 H new ATOM 0 HD3 ARG A 34 -8.421 -14.451 -7.452 1.00 10.43 H new ATOM 0 HE ARG A 34 -6.761 -16.262 -5.755 1.00 15.30 H new ATOM 0 HH11 ARG A 34 -7.864 -15.244 -8.929 1.00 43.04 H new ATOM 0 HH12 ARG A 34 -7.350 -16.736 -9.725 1.00 43.04 H new ATOM 0 HH21 ARG A 34 -6.191 -18.239 -6.760 1.00 51.40 H new ATOM 0 HH22 ARG A 34 -6.408 -18.421 -8.504 1.00 51.40 H new ATOM 486 N VAL A 35 -9.642 -11.283 -2.876 1.00 32.41 N ATOM 487 CA VAL A 35 -9.399 -10.974 -1.464 1.00 63.02 C ATOM 488 C VAL A 35 -10.463 -11.625 -0.609 1.00 25.40 C ATOM 489 O VAL A 35 -10.164 -12.220 0.443 1.00 40.12 O ATOM 490 CB VAL A 35 -9.375 -9.453 -1.161 1.00 52.12 C ATOM 491 CG1 VAL A 35 -8.964 -9.194 0.282 1.00 61.21 C ATOM 492 CG2 VAL A 35 -8.454 -8.726 -2.095 1.00 31.15 C ATOM 0 H VAL A 35 -9.937 -10.488 -3.443 1.00 32.41 H new ATOM 0 HA VAL A 35 -8.410 -11.367 -1.229 1.00 63.02 H new ATOM 0 HB VAL A 35 -10.386 -9.074 -1.312 1.00 52.12 H new ATOM 0 HG11 VAL A 35 -8.954 -8.120 0.471 1.00 61.21 H new ATOM 0 HG12 VAL A 35 -9.675 -9.674 0.955 1.00 61.21 H new ATOM 0 HG13 VAL A 35 -7.968 -9.602 0.455 1.00 61.21 H new ATOM 0 HG21 VAL A 35 -8.459 -7.662 -1.857 1.00 31.15 H new ATOM 0 HG22 VAL A 35 -7.442 -9.117 -1.986 1.00 31.15 H new ATOM 0 HG23 VAL A 35 -8.790 -8.869 -3.122 1.00 31.15 H new ATOM 502 N ALA A 36 -11.694 -11.543 -1.081 1.00 12.00 N ATOM 503 CA ALA A 36 -12.817 -12.145 -0.393 1.00 5.23 C ATOM 504 C ALA A 36 -12.601 -13.647 -0.285 1.00 51.53 C ATOM 505 O ALA A 36 -12.892 -14.269 0.744 1.00 61.23 O ATOM 506 CB ALA A 36 -14.114 -11.845 -1.135 1.00 44.11 C ATOM 0 H ALA A 36 -11.940 -11.061 -1.945 1.00 12.00 H new ATOM 0 HA ALA A 36 -12.892 -11.723 0.609 1.00 5.23 H new ATOM 0 HB1 ALA A 36 -14.950 -12.304 -0.607 1.00 44.11 H new ATOM 0 HB2 ALA A 36 -14.264 -10.766 -1.184 1.00 44.11 H new ATOM 0 HB3 ALA A 36 -14.057 -12.250 -2.145 1.00 44.11 H new ATOM 512 N GLU A 37 -12.042 -14.192 -1.343 1.00 24.00 N ATOM 513 CA GLU A 37 -11.735 -15.598 -1.471 1.00 33.35 C ATOM 514 C GLU A 37 -10.600 -15.991 -0.508 1.00 40.51 C ATOM 515 O GLU A 37 -10.699 -16.982 0.218 1.00 13.43 O ATOM 516 CB GLU A 37 -11.258 -15.814 -2.895 1.00 33.02 C ATOM 517 CG GLU A 37 -11.231 -17.248 -3.355 1.00 52.11 C ATOM 518 CD GLU A 37 -10.713 -17.373 -4.756 1.00 43.14 C ATOM 519 OE1 GLU A 37 -11.466 -17.090 -5.712 1.00 41.40 O ATOM 520 OE2 GLU A 37 -9.555 -17.747 -4.930 1.00 33.10 O ATOM 0 H GLU A 37 -11.780 -13.649 -2.166 1.00 24.00 H new ATOM 0 HA GLU A 37 -12.613 -16.200 -1.236 1.00 33.35 H new ATOM 0 HB2 GLU A 37 -11.902 -15.247 -3.566 1.00 33.02 H new ATOM 0 HB3 GLU A 37 -10.254 -15.400 -2.991 1.00 33.02 H new ATOM 0 HG2 GLU A 37 -10.605 -17.834 -2.682 1.00 52.11 H new ATOM 0 HG3 GLU A 37 -12.236 -17.666 -3.300 1.00 52.11 H new ATOM 527 N LEU A 38 -9.560 -15.166 -0.492 1.00 63.02 N ATOM 528 CA LEU A 38 -8.343 -15.394 0.289 1.00 51.24 C ATOM 529 C LEU A 38 -8.610 -15.382 1.781 1.00 53.15 C ATOM 530 O LEU A 38 -8.184 -16.279 2.514 1.00 62.01 O ATOM 531 CB LEU A 38 -7.320 -14.295 -0.021 1.00 12.24 C ATOM 532 CG LEU A 38 -5.993 -14.377 0.737 1.00 12.22 C ATOM 533 CD1 LEU A 38 -5.115 -15.499 0.204 1.00 51.23 C ATOM 534 CD2 LEU A 38 -5.276 -13.044 0.712 1.00 54.14 C ATOM 0 H LEU A 38 -9.535 -14.301 -1.032 1.00 63.02 H new ATOM 0 HA LEU A 38 -7.963 -16.377 0.011 1.00 51.24 H new ATOM 0 HB2 LEU A 38 -7.107 -14.317 -1.090 1.00 12.24 H new ATOM 0 HB3 LEU A 38 -7.778 -13.329 0.193 1.00 12.24 H new ATOM 0 HG LEU A 38 -6.215 -14.614 1.778 1.00 12.22 H new ATOM 0 HD11 LEU A 38 -4.181 -15.528 0.765 1.00 51.23 H new ATOM 0 HD12 LEU A 38 -5.634 -16.451 0.314 1.00 51.23 H new ATOM 0 HD13 LEU A 38 -4.900 -15.323 -0.850 1.00 51.23 H new ATOM 0 HD21 LEU A 38 -4.336 -13.126 1.257 1.00 54.14 H new ATOM 0 HD22 LEU A 38 -5.073 -12.759 -0.320 1.00 54.14 H new ATOM 0 HD23 LEU A 38 -5.902 -12.285 1.182 1.00 54.14 H new ATOM 546 N LEU A 39 -9.291 -14.356 2.229 1.00 4.12 N ATOM 547 CA LEU A 39 -9.527 -14.177 3.642 1.00 65.43 C ATOM 548 C LEU A 39 -10.759 -14.933 4.103 1.00 22.21 C ATOM 549 O LEU A 39 -10.921 -15.194 5.300 1.00 34.02 O ATOM 550 CB LEU A 39 -9.657 -12.688 3.974 1.00 42.02 C ATOM 551 CG LEU A 39 -8.460 -11.795 3.610 1.00 43.52 C ATOM 552 CD1 LEU A 39 -8.747 -10.349 3.978 1.00 53.42 C ATOM 553 CD2 LEU A 39 -7.191 -12.274 4.301 1.00 34.31 C ATOM 0 H LEU A 39 -9.693 -13.630 1.635 1.00 4.12 H new ATOM 0 HA LEU A 39 -8.670 -14.586 4.177 1.00 65.43 H new ATOM 0 HB2 LEU A 39 -10.539 -12.301 3.463 1.00 42.02 H new ATOM 0 HB3 LEU A 39 -9.841 -12.592 5.044 1.00 42.02 H new ATOM 0 HG LEU A 39 -8.305 -11.860 2.533 1.00 43.52 H new ATOM 0 HD11 LEU A 39 -7.890 -9.729 3.714 1.00 53.42 H new ATOM 0 HD12 LEU A 39 -9.626 -10.003 3.435 1.00 53.42 H new ATOM 0 HD13 LEU A 39 -8.931 -10.276 5.050 1.00 53.42 H new ATOM 0 HD21 LEU A 39 -6.360 -11.625 4.026 1.00 34.31 H new ATOM 0 HD22 LEU A 39 -7.332 -12.245 5.381 1.00 34.31 H new ATOM 0 HD23 LEU A 39 -6.971 -13.296 3.991 1.00 34.31 H new ATOM 565 N GLY A 40 -11.609 -15.300 3.158 1.00 61.01 N ATOM 566 CA GLY A 40 -12.842 -15.984 3.487 1.00 53.31 C ATOM 567 C GLY A 40 -13.864 -15.011 4.035 1.00 44.11 C ATOM 568 O GLY A 40 -14.772 -15.387 4.785 1.00 71.23 O ATOM 0 H GLY A 40 -11.466 -15.135 2.162 1.00 61.01 H new ATOM 0 HA2 GLY A 40 -13.240 -16.475 2.599 1.00 53.31 H new ATOM 0 HA3 GLY A 40 -12.646 -16.765 4.222 1.00 53.31 H new ATOM 572 N VAL A 41 -13.729 -13.765 3.644 1.00 74.35 N ATOM 573 CA VAL A 41 -14.585 -12.703 4.145 1.00 41.11 C ATOM 574 C VAL A 41 -15.284 -12.045 2.973 1.00 73.03 C ATOM 575 O VAL A 41 -14.843 -12.206 1.853 1.00 53.15 O ATOM 576 CB VAL A 41 -13.772 -11.626 4.951 1.00 52.14 C ATOM 577 CG1 VAL A 41 -12.932 -12.269 6.035 1.00 22.50 C ATOM 578 CG2 VAL A 41 -12.911 -10.747 4.045 1.00 13.22 C ATOM 0 H VAL A 41 -13.027 -13.455 2.972 1.00 74.35 H new ATOM 0 HA VAL A 41 -15.312 -13.141 4.828 1.00 41.11 H new ATOM 0 HB VAL A 41 -14.505 -10.974 5.427 1.00 52.14 H new ATOM 0 HG11 VAL A 41 -12.382 -11.498 6.574 1.00 22.50 H new ATOM 0 HG12 VAL A 41 -13.581 -12.804 6.728 1.00 22.50 H new ATOM 0 HG13 VAL A 41 -12.228 -12.968 5.583 1.00 22.50 H new ATOM 0 HG21 VAL A 41 -12.370 -10.020 4.651 1.00 13.22 H new ATOM 0 HG22 VAL A 41 -12.199 -11.370 3.504 1.00 13.22 H new ATOM 0 HG23 VAL A 41 -13.549 -10.223 3.333 1.00 13.22 H new ATOM 588 N PRO A 42 -16.397 -11.346 3.192 1.00 2.40 N ATOM 589 CA PRO A 42 -17.068 -10.630 2.116 1.00 52.22 C ATOM 590 C PRO A 42 -16.293 -9.383 1.693 1.00 12.22 C ATOM 591 O PRO A 42 -15.498 -8.820 2.480 1.00 22.11 O ATOM 592 CB PRO A 42 -18.397 -10.216 2.737 1.00 35.45 C ATOM 593 CG PRO A 42 -18.132 -10.152 4.198 1.00 24.24 C ATOM 594 CD PRO A 42 -17.124 -11.229 4.476 1.00 64.45 C ATOM 0 HA PRO A 42 -17.167 -11.244 1.221 1.00 52.22 H new ATOM 0 HB2 PRO A 42 -18.729 -9.252 2.353 1.00 35.45 H new ATOM 0 HB3 PRO A 42 -19.182 -10.937 2.509 1.00 35.45 H new ATOM 0 HG2 PRO A 42 -17.748 -9.173 4.484 1.00 24.24 H new ATOM 0 HG3 PRO A 42 -19.046 -10.314 4.769 1.00 24.24 H new ATOM 0 HD2 PRO A 42 -16.457 -10.956 5.294 1.00 64.45 H new ATOM 0 HD3 PRO A 42 -17.603 -12.167 4.755 1.00 64.45 H new ATOM 602 N VAL A 43 -16.549 -8.932 0.475 1.00 0.03 N ATOM 603 CA VAL A 43 -15.926 -7.728 -0.078 1.00 74.41 C ATOM 604 C VAL A 43 -16.225 -6.506 0.809 1.00 32.32 C ATOM 605 O VAL A 43 -15.388 -5.613 0.960 1.00 44.31 O ATOM 606 CB VAL A 43 -16.373 -7.469 -1.551 1.00 3.05 C ATOM 607 CG1 VAL A 43 -15.780 -6.176 -2.096 1.00 3.31 C ATOM 608 CG2 VAL A 43 -15.953 -8.627 -2.440 1.00 12.23 C ATOM 0 H VAL A 43 -17.198 -9.390 -0.165 1.00 0.03 H new ATOM 0 HA VAL A 43 -14.848 -7.891 -0.090 1.00 74.41 H new ATOM 0 HB VAL A 43 -17.459 -7.378 -1.552 1.00 3.05 H new ATOM 0 HG11 VAL A 43 -16.112 -6.028 -3.123 1.00 3.31 H new ATOM 0 HG12 VAL A 43 -16.111 -5.337 -1.483 1.00 3.31 H new ATOM 0 HG13 VAL A 43 -14.692 -6.236 -2.072 1.00 3.31 H new ATOM 0 HG21 VAL A 43 -16.271 -8.433 -3.464 1.00 12.23 H new ATOM 0 HG22 VAL A 43 -14.869 -8.733 -2.411 1.00 12.23 H new ATOM 0 HG23 VAL A 43 -16.418 -9.546 -2.084 1.00 12.23 H new ATOM 618 N SER A 44 -17.403 -6.504 1.420 1.00 71.53 N ATOM 619 CA SER A 44 -17.805 -5.446 2.323 1.00 51.04 C ATOM 620 C SER A 44 -16.794 -5.308 3.484 1.00 72.30 C ATOM 621 O SER A 44 -16.392 -4.188 3.832 1.00 4.14 O ATOM 622 CB SER A 44 -19.233 -5.715 2.854 1.00 45.35 C ATOM 623 OG SER A 44 -19.692 -4.679 3.724 1.00 1.40 O ATOM 0 H SER A 44 -18.102 -7.237 1.300 1.00 71.53 H new ATOM 0 HA SER A 44 -17.815 -4.502 1.778 1.00 51.04 H new ATOM 0 HB2 SER A 44 -19.919 -5.810 2.012 1.00 45.35 H new ATOM 0 HB3 SER A 44 -19.247 -6.666 3.386 1.00 45.35 H new ATOM 0 HG SER A 44 -20.598 -4.889 4.034 1.00 1.40 H new ATOM 629 N LYS A 45 -16.346 -6.440 4.038 1.00 61.13 N ATOM 630 CA LYS A 45 -15.395 -6.421 5.138 1.00 34.20 C ATOM 631 C LYS A 45 -14.035 -5.941 4.647 1.00 2.13 C ATOM 632 O LYS A 45 -13.316 -5.248 5.359 1.00 22.23 O ATOM 633 CB LYS A 45 -15.288 -7.795 5.826 1.00 31.02 C ATOM 634 CG LYS A 45 -14.414 -7.779 7.078 1.00 3.33 C ATOM 635 CD LYS A 45 -14.401 -9.118 7.790 1.00 72.41 C ATOM 636 CE LYS A 45 -13.577 -9.048 9.070 1.00 32.53 C ATOM 637 NZ LYS A 45 -13.586 -10.325 9.807 1.00 32.03 N ATOM 0 H LYS A 45 -16.629 -7.373 3.739 1.00 61.13 H new ATOM 0 HA LYS A 45 -15.761 -5.720 5.889 1.00 34.20 H new ATOM 0 HB2 LYS A 45 -16.287 -8.138 6.094 1.00 31.02 H new ATOM 0 HB3 LYS A 45 -14.882 -8.517 5.118 1.00 31.02 H new ATOM 0 HG2 LYS A 45 -13.395 -7.507 6.803 1.00 3.33 H new ATOM 0 HG3 LYS A 45 -14.776 -7.011 7.761 1.00 3.33 H new ATOM 0 HD2 LYS A 45 -15.422 -9.418 8.026 1.00 72.41 H new ATOM 0 HD3 LYS A 45 -13.989 -9.881 7.130 1.00 72.41 H new ATOM 0 HE2 LYS A 45 -12.550 -8.779 8.825 1.00 32.53 H new ATOM 0 HE3 LYS A 45 -13.969 -8.258 9.710 1.00 32.53 H new ATOM 0 HZ1 LYS A 45 -13.013 -10.232 10.670 1.00 32.03 H new ATOM 0 HZ2 LYS A 45 -14.563 -10.570 10.065 1.00 32.03 H new ATOM 0 HZ3 LYS A 45 -13.188 -11.075 9.207 1.00 32.03 H new ATOM 651 N VAL A 46 -13.709 -6.294 3.411 1.00 60.21 N ATOM 652 CA VAL A 46 -12.462 -5.859 2.773 1.00 34.32 C ATOM 653 C VAL A 46 -12.463 -4.334 2.640 1.00 12.21 C ATOM 654 O VAL A 46 -11.476 -3.659 2.968 1.00 35.33 O ATOM 655 CB VAL A 46 -12.290 -6.493 1.363 1.00 32.22 C ATOM 656 CG1 VAL A 46 -10.995 -6.027 0.710 1.00 72.54 C ATOM 657 CG2 VAL A 46 -12.332 -8.012 1.438 1.00 32.44 C ATOM 0 H VAL A 46 -14.293 -6.886 2.821 1.00 60.21 H new ATOM 0 HA VAL A 46 -11.632 -6.186 3.399 1.00 34.32 H new ATOM 0 HB VAL A 46 -13.124 -6.159 0.746 1.00 32.22 H new ATOM 0 HG11 VAL A 46 -10.899 -6.485 -0.275 1.00 72.54 H new ATOM 0 HG12 VAL A 46 -11.010 -4.942 0.606 1.00 72.54 H new ATOM 0 HG13 VAL A 46 -10.148 -6.320 1.331 1.00 72.54 H new ATOM 0 HG21 VAL A 46 -12.209 -8.429 0.438 1.00 32.44 H new ATOM 0 HG22 VAL A 46 -11.526 -8.367 2.081 1.00 32.44 H new ATOM 0 HG23 VAL A 46 -13.290 -8.330 1.849 1.00 32.44 H new ATOM 667 N ALA A 47 -13.593 -3.804 2.193 1.00 34.03 N ATOM 668 CA ALA A 47 -13.777 -2.375 2.041 1.00 74.24 C ATOM 669 C ALA A 47 -13.653 -1.678 3.391 1.00 65.14 C ATOM 670 O ALA A 47 -13.078 -0.599 3.486 1.00 34.51 O ATOM 671 CB ALA A 47 -15.126 -2.077 1.397 1.00 41.42 C ATOM 0 H ALA A 47 -14.407 -4.357 1.926 1.00 34.03 H new ATOM 0 HA ALA A 47 -12.996 -1.990 1.385 1.00 74.24 H new ATOM 0 HB1 ALA A 47 -15.248 -0.999 1.290 1.00 41.42 H new ATOM 0 HB2 ALA A 47 -15.172 -2.546 0.414 1.00 41.42 H new ATOM 0 HB3 ALA A 47 -15.924 -2.472 2.025 1.00 41.42 H new ATOM 677 N GLN A 48 -14.157 -2.325 4.435 1.00 71.41 N ATOM 678 CA GLN A 48 -14.070 -1.788 5.794 1.00 15.33 C ATOM 679 C GLN A 48 -12.629 -1.657 6.250 1.00 13.25 C ATOM 680 O GLN A 48 -12.265 -0.665 6.851 1.00 2.31 O ATOM 681 CB GLN A 48 -14.869 -2.620 6.791 1.00 44.34 C ATOM 682 CG GLN A 48 -16.371 -2.479 6.656 1.00 71.25 C ATOM 683 CD GLN A 48 -16.840 -1.051 6.881 1.00 73.23 C ATOM 684 OE1 GLN A 48 -16.948 -0.253 5.945 1.00 64.51 O ATOM 685 NE2 GLN A 48 -17.090 -0.708 8.108 1.00 24.25 N ATOM 0 H GLN A 48 -14.632 -3.225 4.369 1.00 71.41 H new ATOM 0 HA GLN A 48 -14.512 -0.792 5.763 1.00 15.33 H new ATOM 0 HB2 GLN A 48 -14.602 -3.669 6.668 1.00 44.34 H new ATOM 0 HB3 GLN A 48 -14.578 -2.333 7.802 1.00 44.34 H new ATOM 0 HG2 GLN A 48 -16.676 -2.807 5.662 1.00 71.25 H new ATOM 0 HG3 GLN A 48 -16.861 -3.137 7.373 1.00 71.25 H new ATOM 0 HE21 GLN A 48 -16.991 -1.391 8.859 1.00 24.25 H new ATOM 0 HE22 GLN A 48 -17.385 0.245 8.321 1.00 24.25 H new ATOM 694 N GLN A 49 -11.805 -2.641 5.914 1.00 60.11 N ATOM 695 CA GLN A 49 -10.379 -2.619 6.268 1.00 1.30 C ATOM 696 C GLN A 49 -9.724 -1.398 5.651 1.00 60.12 C ATOM 697 O GLN A 49 -8.973 -0.657 6.312 1.00 44.33 O ATOM 698 CB GLN A 49 -9.682 -3.878 5.761 1.00 23.41 C ATOM 699 CG GLN A 49 -10.314 -5.161 6.251 1.00 40.41 C ATOM 700 CD GLN A 49 -10.313 -5.289 7.761 1.00 12.40 C ATOM 701 OE1 GLN A 49 -9.420 -4.796 8.441 1.00 0.43 O ATOM 702 NE2 GLN A 49 -11.325 -5.905 8.294 1.00 31.41 N ATOM 0 H GLN A 49 -12.094 -3.470 5.395 1.00 60.11 H new ATOM 0 HA GLN A 49 -10.288 -2.580 7.354 1.00 1.30 H new ATOM 0 HB2 GLN A 49 -9.689 -3.873 4.671 1.00 23.41 H new ATOM 0 HB3 GLN A 49 -8.638 -3.855 6.073 1.00 23.41 H new ATOM 0 HG2 GLN A 49 -11.341 -5.214 5.889 1.00 40.41 H new ATOM 0 HG3 GLN A 49 -9.780 -6.009 5.821 1.00 40.41 H new ATOM 0 HE21 GLN A 49 -12.051 -6.304 7.698 1.00 31.41 H new ATOM 0 HE22 GLN A 49 -11.394 -5.990 9.308 1.00 31.41 H new ATOM 711 N LEU A 50 -10.059 -1.164 4.399 1.00 74.23 N ATOM 712 CA LEU A 50 -9.577 -0.006 3.662 1.00 33.53 C ATOM 713 C LEU A 50 -10.068 1.281 4.334 1.00 74.00 C ATOM 714 O LEU A 50 -9.299 2.225 4.541 1.00 0.12 O ATOM 715 CB LEU A 50 -10.071 -0.066 2.205 1.00 21.35 C ATOM 716 CG LEU A 50 -9.744 1.141 1.309 1.00 12.33 C ATOM 717 CD1 LEU A 50 -8.244 1.317 1.148 1.00 55.33 C ATOM 718 CD2 LEU A 50 -10.416 0.995 -0.047 1.00 53.41 C ATOM 0 H LEU A 50 -10.675 -1.771 3.859 1.00 74.23 H new ATOM 0 HA LEU A 50 -8.487 -0.011 3.663 1.00 33.53 H new ATOM 0 HB2 LEU A 50 -9.650 -0.957 1.740 1.00 21.35 H new ATOM 0 HB3 LEU A 50 -11.153 -0.195 2.219 1.00 21.35 H new ATOM 0 HG LEU A 50 -10.134 2.036 1.795 1.00 12.33 H new ATOM 0 HD11 LEU A 50 -8.045 2.178 0.510 1.00 55.33 H new ATOM 0 HD12 LEU A 50 -7.789 1.477 2.126 1.00 55.33 H new ATOM 0 HD13 LEU A 50 -7.819 0.422 0.693 1.00 55.33 H new ATOM 0 HD21 LEU A 50 -10.174 1.858 -0.668 1.00 53.41 H new ATOM 0 HD22 LEU A 50 -10.060 0.087 -0.533 1.00 53.41 H new ATOM 0 HD23 LEU A 50 -11.496 0.936 0.087 1.00 53.41 H new ATOM 730 N ARG A 51 -11.334 1.288 4.717 1.00 70.53 N ATOM 731 CA ARG A 51 -11.965 2.439 5.366 1.00 55.02 C ATOM 732 C ARG A 51 -11.371 2.726 6.757 1.00 61.44 C ATOM 733 O ARG A 51 -11.496 3.837 7.266 1.00 62.40 O ATOM 734 CB ARG A 51 -13.490 2.279 5.462 1.00 4.41 C ATOM 735 CG ARG A 51 -14.258 2.166 4.126 1.00 74.31 C ATOM 736 CD ARG A 51 -14.311 3.462 3.287 1.00 42.00 C ATOM 737 NE ARG A 51 -13.024 3.868 2.663 1.00 5.42 N ATOM 738 CZ ARG A 51 -12.908 4.448 1.445 1.00 12.22 C ATOM 739 NH1 ARG A 51 -13.979 4.618 0.678 1.00 43.13 N ATOM 740 NH2 ARG A 51 -11.712 4.858 1.006 1.00 24.32 N ATOM 0 H ARG A 51 -11.961 0.494 4.588 1.00 70.53 H new ATOM 0 HA ARG A 51 -11.751 3.297 4.729 1.00 55.02 H new ATOM 0 HB2 ARG A 51 -13.703 1.389 6.054 1.00 4.41 H new ATOM 0 HB3 ARG A 51 -13.888 3.131 6.013 1.00 4.41 H new ATOM 0 HG2 ARG A 51 -13.797 1.382 3.525 1.00 74.31 H new ATOM 0 HG3 ARG A 51 -15.279 1.847 4.338 1.00 74.31 H new ATOM 0 HD2 ARG A 51 -15.054 3.335 2.499 1.00 42.00 H new ATOM 0 HD3 ARG A 51 -14.659 4.274 3.925 1.00 42.00 H new ATOM 0 HE ARG A 51 -12.167 3.697 3.190 1.00 5.42 H new ATOM 0 HH11 ARG A 51 -14.895 4.311 1.006 1.00 43.13 H new ATOM 0 HH12 ARG A 51 -13.886 5.056 -0.239 1.00 43.13 H new ATOM 0 HH21 ARG A 51 -10.885 4.734 1.589 1.00 24.32 H new ATOM 0 HH22 ARG A 51 -11.628 5.295 0.088 1.00 24.32 H new ATOM 754 N GLU A 52 -10.745 1.733 7.374 1.00 23.12 N ATOM 755 CA GLU A 52 -10.172 1.932 8.694 1.00 25.52 C ATOM 756 C GLU A 52 -8.676 2.199 8.626 1.00 53.31 C ATOM 757 O GLU A 52 -8.052 2.534 9.635 1.00 32.23 O ATOM 758 CB GLU A 52 -10.448 0.747 9.609 1.00 3.31 C ATOM 759 CG GLU A 52 -11.919 0.454 9.792 1.00 20.40 C ATOM 760 CD GLU A 52 -12.169 -0.585 10.838 1.00 72.45 C ATOM 761 OE1 GLU A 52 -11.927 -1.780 10.591 1.00 25.24 O ATOM 762 OE2 GLU A 52 -12.631 -0.213 11.949 1.00 12.14 O ATOM 0 H GLU A 52 -10.623 0.797 6.988 1.00 23.12 H new ATOM 0 HA GLU A 52 -10.658 2.813 9.114 1.00 25.52 H new ATOM 0 HB2 GLU A 52 -9.958 -0.137 9.202 1.00 3.31 H new ATOM 0 HB3 GLU A 52 -10.000 0.939 10.584 1.00 3.31 H new ATOM 0 HG2 GLU A 52 -12.438 1.373 10.065 1.00 20.40 H new ATOM 0 HG3 GLU A 52 -12.340 0.120 8.844 1.00 20.40 H new ATOM 769 N GLY A 53 -8.109 2.053 7.450 1.00 23.15 N ATOM 770 CA GLY A 53 -6.689 2.259 7.291 1.00 50.23 C ATOM 771 C GLY A 53 -5.894 1.071 7.789 1.00 61.34 C ATOM 772 O GLY A 53 -4.846 1.228 8.428 1.00 1.14 O ATOM 0 H GLY A 53 -8.605 1.795 6.597 1.00 23.15 H new ATOM 0 HA2 GLY A 53 -6.462 2.434 6.239 1.00 50.23 H new ATOM 0 HA3 GLY A 53 -6.387 3.154 7.836 1.00 50.23 H new ATOM 776 N HIS A 54 -6.422 -0.112 7.542 1.00 75.44 N ATOM 777 CA HIS A 54 -5.753 -1.355 7.909 1.00 71.32 C ATOM 778 C HIS A 54 -5.297 -2.069 6.628 1.00 75.22 C ATOM 779 O HIS A 54 -4.556 -3.038 6.661 1.00 2.21 O ATOM 780 CB HIS A 54 -6.714 -2.238 8.746 1.00 63.40 C ATOM 781 CG HIS A 54 -6.132 -3.540 9.250 1.00 3.31 C ATOM 782 ND1 HIS A 54 -6.762 -4.757 9.136 1.00 54.23 N ATOM 783 CD2 HIS A 54 -4.969 -3.788 9.896 1.00 62.24 C ATOM 784 CE1 HIS A 54 -5.987 -5.685 9.698 1.00 41.13 C ATOM 785 NE2 HIS A 54 -4.880 -5.150 10.178 1.00 15.32 N ATOM 0 H HIS A 54 -7.323 -0.244 7.083 1.00 75.44 H new ATOM 0 HA HIS A 54 -4.875 -1.150 8.522 1.00 71.32 H new ATOM 0 HB2 HIS A 54 -7.058 -1.659 9.603 1.00 63.40 H new ATOM 0 HB3 HIS A 54 -7.592 -2.463 8.141 1.00 63.40 H new ATOM 0 HD1 HIS A 54 -7.668 -4.922 8.697 1.00 54.23 H new ATOM 0 HD2 HIS A 54 -4.226 -3.047 10.153 1.00 62.24 H new ATOM 0 HE1 HIS A 54 -6.233 -6.735 9.753 1.00 41.13 H new ATOM 793 N LEU A 55 -5.743 -1.546 5.509 1.00 61.14 N ATOM 794 CA LEU A 55 -5.414 -2.070 4.210 1.00 24.13 C ATOM 795 C LEU A 55 -5.559 -0.924 3.228 1.00 14.05 C ATOM 796 O LEU A 55 -6.303 0.022 3.509 1.00 40.23 O ATOM 797 CB LEU A 55 -6.374 -3.220 3.850 1.00 10.05 C ATOM 798 CG LEU A 55 -6.109 -3.957 2.533 1.00 42.11 C ATOM 799 CD1 LEU A 55 -4.735 -4.622 2.544 1.00 64.45 C ATOM 800 CD2 LEU A 55 -7.201 -4.985 2.280 1.00 12.02 C ATOM 0 H LEU A 55 -6.355 -0.730 5.479 1.00 61.14 H new ATOM 0 HA LEU A 55 -4.400 -2.470 4.187 1.00 24.13 H new ATOM 0 HB2 LEU A 55 -6.347 -3.950 4.659 1.00 10.05 H new ATOM 0 HB3 LEU A 55 -7.387 -2.819 3.816 1.00 10.05 H new ATOM 0 HG LEU A 55 -6.120 -3.228 1.723 1.00 42.11 H new ATOM 0 HD11 LEU A 55 -4.573 -5.138 1.598 1.00 64.45 H new ATOM 0 HD12 LEU A 55 -3.965 -3.863 2.680 1.00 64.45 H new ATOM 0 HD13 LEU A 55 -4.685 -5.341 3.362 1.00 64.45 H new ATOM 0 HD21 LEU A 55 -7.003 -5.503 1.342 1.00 12.02 H new ATOM 0 HD22 LEU A 55 -7.217 -5.707 3.096 1.00 12.02 H new ATOM 0 HD23 LEU A 55 -8.167 -4.483 2.220 1.00 12.02 H new ATOM 812 N VAL A 56 -4.847 -0.977 2.119 1.00 23.14 N ATOM 813 CA VAL A 56 -4.895 0.070 1.112 1.00 0.23 C ATOM 814 C VAL A 56 -5.123 -0.570 -0.252 1.00 53.52 C ATOM 815 O VAL A 56 -4.652 -1.686 -0.498 1.00 74.33 O ATOM 816 CB VAL A 56 -3.564 0.904 1.088 1.00 0.24 C ATOM 817 CG1 VAL A 56 -3.592 1.995 0.025 1.00 31.32 C ATOM 818 CG2 VAL A 56 -3.293 1.526 2.439 1.00 23.12 C ATOM 0 H VAL A 56 -4.218 -1.746 1.889 1.00 23.14 H new ATOM 0 HA VAL A 56 -5.711 0.751 1.355 1.00 0.23 H new ATOM 0 HB VAL A 56 -2.763 0.207 0.841 1.00 0.24 H new ATOM 0 HG11 VAL A 56 -2.652 2.546 0.044 1.00 31.32 H new ATOM 0 HG12 VAL A 56 -3.727 1.542 -0.957 1.00 31.32 H new ATOM 0 HG13 VAL A 56 -4.417 2.678 0.226 1.00 31.32 H new ATOM 0 HG21 VAL A 56 -2.366 2.098 2.397 1.00 23.12 H new ATOM 0 HG22 VAL A 56 -4.116 2.188 2.706 1.00 23.12 H new ATOM 0 HG23 VAL A 56 -3.201 0.741 3.189 1.00 23.12 H new ATOM 828 N ALA A 57 -5.835 0.124 -1.110 1.00 41.21 N ATOM 829 CA ALA A 57 -6.108 -0.320 -2.444 1.00 50.31 C ATOM 830 C ALA A 57 -5.674 0.772 -3.386 1.00 45.53 C ATOM 831 O ALA A 57 -5.682 1.938 -3.011 1.00 11.25 O ATOM 832 CB ALA A 57 -7.590 -0.635 -2.622 1.00 24.34 C ATOM 0 H ALA A 57 -6.246 1.031 -0.889 1.00 41.21 H new ATOM 0 HA ALA A 57 -5.561 -1.239 -2.654 1.00 50.31 H new ATOM 0 HB1 ALA A 57 -7.771 -0.970 -3.643 1.00 24.34 H new ATOM 0 HB2 ALA A 57 -7.881 -1.421 -1.925 1.00 24.34 H new ATOM 0 HB3 ALA A 57 -8.179 0.261 -2.424 1.00 24.34 H new ATOM 838 N VAL A 58 -5.292 0.401 -4.571 1.00 30.23 N ATOM 839 CA VAL A 58 -4.780 1.314 -5.563 1.00 53.04 C ATOM 840 C VAL A 58 -5.504 1.105 -6.877 1.00 20.15 C ATOM 841 O VAL A 58 -6.200 0.092 -7.061 1.00 31.44 O ATOM 842 CB VAL A 58 -3.255 1.119 -5.767 1.00 12.14 C ATOM 843 CG1 VAL A 58 -2.538 1.399 -4.469 1.00 4.35 C ATOM 844 CG2 VAL A 58 -2.926 -0.292 -6.260 1.00 24.32 C ATOM 0 H VAL A 58 -5.326 -0.568 -4.888 1.00 30.23 H new ATOM 0 HA VAL A 58 -4.950 2.331 -5.210 1.00 53.04 H new ATOM 0 HB VAL A 58 -2.919 1.818 -6.533 1.00 12.14 H new ATOM 0 HG11 VAL A 58 -1.466 1.263 -4.609 1.00 4.35 H new ATOM 0 HG12 VAL A 58 -2.736 2.425 -4.158 1.00 4.35 H new ATOM 0 HG13 VAL A 58 -2.894 0.712 -3.701 1.00 4.35 H new ATOM 0 HG21 VAL A 58 -1.848 -0.390 -6.391 1.00 24.32 H new ATOM 0 HG22 VAL A 58 -3.270 -1.023 -5.528 1.00 24.32 H new ATOM 0 HG23 VAL A 58 -3.425 -0.470 -7.213 1.00 24.32 H new ATOM 854 N ARG A 59 -5.354 2.030 -7.778 1.00 23.02 N ATOM 855 CA ARG A 59 -5.997 1.933 -9.054 1.00 73.14 C ATOM 856 C ARG A 59 -4.949 1.684 -10.107 1.00 5.41 C ATOM 857 O ARG A 59 -4.024 2.477 -10.251 1.00 14.41 O ATOM 858 CB ARG A 59 -6.748 3.231 -9.388 1.00 62.04 C ATOM 859 CG ARG A 59 -7.532 3.164 -10.696 1.00 52.44 C ATOM 860 CD ARG A 59 -8.123 4.512 -11.084 1.00 22.35 C ATOM 861 NE ARG A 59 -7.091 5.500 -11.449 1.00 11.24 N ATOM 862 CZ ARG A 59 -7.345 6.752 -11.881 1.00 45.41 C ATOM 863 NH1 ARG A 59 -8.589 7.207 -11.958 1.00 15.03 N ATOM 864 NH2 ARG A 59 -6.344 7.546 -12.224 1.00 60.25 N ATOM 0 H ARG A 59 -4.786 2.868 -7.651 1.00 23.02 H new ATOM 0 HA ARG A 59 -6.716 1.114 -9.026 1.00 73.14 H new ATOM 0 HB2 ARG A 59 -7.435 3.463 -8.574 1.00 62.04 H new ATOM 0 HB3 ARG A 59 -6.032 4.051 -9.445 1.00 62.04 H new ATOM 0 HG2 ARG A 59 -6.876 2.814 -11.493 1.00 52.44 H new ATOM 0 HG3 ARG A 59 -8.334 2.432 -10.599 1.00 52.44 H new ATOM 0 HD2 ARG A 59 -8.805 4.377 -11.924 1.00 22.35 H new ATOM 0 HD3 ARG A 59 -8.713 4.899 -10.253 1.00 22.35 H new ATOM 0 HE ARG A 59 -6.115 5.216 -11.369 1.00 11.24 H new ATOM 0 HH11 ARG A 59 -9.369 6.607 -11.688 1.00 15.03 H new ATOM 0 HH12 ARG A 59 -8.765 8.156 -12.287 1.00 15.03 H new ATOM 0 HH21 ARG A 59 -5.383 7.211 -12.161 1.00 60.25 H new ATOM 0 HH22 ARG A 59 -6.534 8.493 -12.551 1.00 60.25 H new ATOM 878 N ARG A 60 -5.076 0.592 -10.823 1.00 24.23 N ATOM 879 CA ARG A 60 -4.158 0.313 -11.894 1.00 64.42 C ATOM 880 C ARG A 60 -4.915 0.284 -13.193 1.00 61.41 C ATOM 881 O ARG A 60 -5.834 -0.538 -13.373 1.00 4.32 O ATOM 882 CB ARG A 60 -3.314 -0.971 -11.670 1.00 54.32 C ATOM 883 CG ARG A 60 -4.080 -2.291 -11.652 1.00 33.50 C ATOM 884 CD ARG A 60 -3.129 -3.465 -11.468 1.00 22.14 C ATOM 885 NE ARG A 60 -3.813 -4.767 -11.576 1.00 61.32 N ATOM 886 CZ ARG A 60 -3.189 -5.946 -11.725 1.00 50.04 C ATOM 887 NH1 ARG A 60 -1.875 -6.017 -11.585 1.00 33.31 N ATOM 888 NH2 ARG A 60 -3.882 -7.056 -11.954 1.00 52.53 N ATOM 0 H ARG A 60 -5.801 -0.111 -10.683 1.00 24.23 H new ATOM 0 HA ARG A 60 -3.421 1.116 -11.925 1.00 64.42 H new ATOM 0 HB2 ARG A 60 -2.559 -1.025 -12.454 1.00 54.32 H new ATOM 0 HB3 ARG A 60 -2.784 -0.871 -10.723 1.00 54.32 H new ATOM 0 HG2 ARG A 60 -4.813 -2.281 -10.845 1.00 33.50 H new ATOM 0 HG3 ARG A 60 -4.634 -2.408 -12.584 1.00 33.50 H new ATOM 0 HD2 ARG A 60 -2.339 -3.410 -12.217 1.00 22.14 H new ATOM 0 HD3 ARG A 60 -2.649 -3.390 -10.492 1.00 22.14 H new ATOM 0 HE ARG A 60 -4.832 -4.772 -11.535 1.00 61.32 H new ATOM 0 HH11 ARG A 60 -1.340 -5.177 -11.364 1.00 33.31 H new ATOM 0 HH12 ARG A 60 -1.398 -6.911 -11.698 1.00 33.31 H new ATOM 0 HH21 ARG A 60 -4.899 -7.018 -12.018 1.00 52.53 H new ATOM 0 HH22 ARG A 60 -3.397 -7.946 -12.066 1.00 52.53 H new ATOM 902 N ALA A 61 -4.598 1.266 -14.043 1.00 22.31 N ATOM 903 CA ALA A 61 -5.193 1.494 -15.377 1.00 41.21 C ATOM 904 C ALA A 61 -6.629 1.992 -15.262 1.00 12.22 C ATOM 905 O ALA A 61 -6.995 3.033 -15.801 1.00 35.50 O ATOM 906 CB ALA A 61 -5.106 0.252 -16.250 1.00 64.53 C ATOM 0 H ALA A 61 -3.886 1.960 -13.815 1.00 22.31 H new ATOM 0 HA ALA A 61 -4.609 2.274 -15.866 1.00 41.21 H new ATOM 0 HB1 ALA A 61 -5.553 0.459 -17.222 1.00 64.53 H new ATOM 0 HB2 ALA A 61 -4.061 -0.026 -16.383 1.00 64.53 H new ATOM 0 HB3 ALA A 61 -5.641 -0.568 -15.771 1.00 64.53 H new ATOM 912 N GLY A 62 -7.400 1.260 -14.538 1.00 61.01 N ATOM 913 CA GLY A 62 -8.780 1.580 -14.306 1.00 0.33 C ATOM 914 C GLY A 62 -9.445 0.650 -13.305 1.00 13.31 C ATOM 915 O GLY A 62 -10.635 0.807 -12.999 1.00 51.04 O ATOM 0 H GLY A 62 -7.091 0.404 -14.078 1.00 61.01 H new ATOM 0 HA2 GLY A 62 -8.854 2.606 -13.945 1.00 0.33 H new ATOM 0 HA3 GLY A 62 -9.322 1.535 -15.251 1.00 0.33 H new ATOM 919 N GLY A 63 -8.700 -0.308 -12.774 1.00 10.41 N ATOM 920 CA GLY A 63 -9.267 -1.232 -11.838 1.00 2.04 C ATOM 921 C GLY A 63 -8.753 -0.982 -10.459 1.00 30.22 C ATOM 922 O GLY A 63 -7.618 -0.518 -10.295 1.00 43.52 O ATOM 0 H GLY A 63 -7.712 -0.455 -12.981 1.00 10.41 H new ATOM 0 HA2 GLY A 63 -10.353 -1.143 -11.846 1.00 2.04 H new ATOM 0 HA3 GLY A 63 -9.029 -2.252 -12.139 1.00 2.04 H new ATOM 926 N VAL A 64 -9.563 -1.268 -9.475 1.00 23.44 N ATOM 927 CA VAL A 64 -9.170 -1.087 -8.100 1.00 31.23 C ATOM 928 C VAL A 64 -8.707 -2.431 -7.577 1.00 3.01 C ATOM 929 O VAL A 64 -9.463 -3.416 -7.606 1.00 73.13 O ATOM 930 CB VAL A 64 -10.339 -0.546 -7.227 1.00 50.01 C ATOM 931 CG1 VAL A 64 -9.894 -0.314 -5.789 1.00 42.13 C ATOM 932 CG2 VAL A 64 -10.907 0.739 -7.820 1.00 14.21 C ATOM 0 H VAL A 64 -10.508 -1.631 -9.600 1.00 23.44 H new ATOM 0 HA VAL A 64 -8.371 -0.347 -8.047 1.00 31.23 H new ATOM 0 HB VAL A 64 -11.123 -1.303 -7.220 1.00 50.01 H new ATOM 0 HG11 VAL A 64 -10.733 0.064 -5.205 1.00 42.13 H new ATOM 0 HG12 VAL A 64 -9.547 -1.254 -5.359 1.00 42.13 H new ATOM 0 HG13 VAL A 64 -9.083 0.414 -5.772 1.00 42.13 H new ATOM 0 HG21 VAL A 64 -11.723 1.099 -7.193 1.00 14.21 H new ATOM 0 HG22 VAL A 64 -10.124 1.496 -7.866 1.00 14.21 H new ATOM 0 HG23 VAL A 64 -11.281 0.542 -8.825 1.00 14.21 H new ATOM 942 N VAL A 65 -7.481 -2.467 -7.150 1.00 33.31 N ATOM 943 CA VAL A 65 -6.801 -3.669 -6.702 1.00 53.13 C ATOM 944 C VAL A 65 -6.005 -3.331 -5.474 1.00 25.25 C ATOM 945 O VAL A 65 -5.899 -2.178 -5.125 1.00 35.42 O ATOM 946 CB VAL A 65 -5.820 -4.178 -7.795 1.00 0.14 C ATOM 947 CG1 VAL A 65 -6.570 -4.703 -9.000 1.00 42.30 C ATOM 948 CG2 VAL A 65 -4.873 -3.063 -8.220 1.00 13.24 C ATOM 0 H VAL A 65 -6.895 -1.634 -7.098 1.00 33.31 H new ATOM 0 HA VAL A 65 -7.540 -4.443 -6.495 1.00 53.13 H new ATOM 0 HB VAL A 65 -5.240 -4.996 -7.368 1.00 0.14 H new ATOM 0 HG11 VAL A 65 -5.858 -5.052 -9.748 1.00 42.30 H new ATOM 0 HG12 VAL A 65 -7.212 -5.530 -8.697 1.00 42.30 H new ATOM 0 HG13 VAL A 65 -7.180 -3.906 -9.424 1.00 42.30 H new ATOM 0 HG21 VAL A 65 -4.193 -3.436 -8.986 1.00 13.24 H new ATOM 0 HG22 VAL A 65 -5.449 -2.229 -8.621 1.00 13.24 H new ATOM 0 HG23 VAL A 65 -4.298 -2.725 -7.358 1.00 13.24 H new ATOM 958 N ILE A 66 -5.454 -4.303 -4.820 1.00 0.51 N ATOM 959 CA ILE A 66 -4.641 -4.041 -3.655 1.00 22.15 C ATOM 960 C ILE A 66 -3.301 -4.735 -3.823 1.00 31.31 C ATOM 961 O ILE A 66 -3.240 -5.808 -4.427 1.00 2.13 O ATOM 962 CB ILE A 66 -5.308 -4.516 -2.325 1.00 31.41 C ATOM 963 CG1 ILE A 66 -5.460 -6.001 -2.293 1.00 43.11 C ATOM 964 CG2 ILE A 66 -6.670 -3.907 -2.175 1.00 25.24 C ATOM 965 CD1 ILE A 66 -5.966 -6.534 -0.976 1.00 3.43 C ATOM 0 H ILE A 66 -5.547 -5.289 -5.065 1.00 0.51 H new ATOM 0 HA ILE A 66 -4.518 -2.961 -3.580 1.00 22.15 H new ATOM 0 HB ILE A 66 -4.657 -4.199 -1.510 1.00 31.41 H new ATOM 0 HG12 ILE A 66 -6.146 -6.304 -3.084 1.00 43.11 H new ATOM 0 HG13 ILE A 66 -4.496 -6.460 -2.514 1.00 43.11 H new ATOM 0 HG21 ILE A 66 -7.121 -4.248 -1.243 1.00 25.24 H new ATOM 0 HG22 ILE A 66 -6.583 -2.821 -2.159 1.00 25.24 H new ATOM 0 HG23 ILE A 66 -7.298 -4.209 -3.013 1.00 25.24 H new ATOM 0 HD11 ILE A 66 -6.050 -7.619 -1.031 1.00 3.43 H new ATOM 0 HD12 ILE A 66 -5.270 -6.264 -0.182 1.00 3.43 H new ATOM 0 HD13 ILE A 66 -6.945 -6.105 -0.762 1.00 3.43 H new ATOM 977 N PRO A 67 -2.208 -4.146 -3.359 1.00 72.42 N ATOM 978 CA PRO A 67 -0.908 -4.790 -3.429 1.00 61.13 C ATOM 979 C PRO A 67 -0.857 -6.019 -2.506 1.00 43.12 C ATOM 980 O PRO A 67 -1.006 -5.902 -1.289 1.00 3.11 O ATOM 981 CB PRO A 67 0.072 -3.707 -2.948 1.00 50.13 C ATOM 982 CG PRO A 67 -0.699 -2.428 -2.993 1.00 55.41 C ATOM 983 CD PRO A 67 -2.128 -2.805 -2.754 1.00 34.15 C ATOM 0 HA PRO A 67 -0.674 -5.153 -4.430 1.00 61.13 H new ATOM 0 HB2 PRO A 67 0.426 -3.917 -1.939 1.00 50.13 H new ATOM 0 HB3 PRO A 67 0.951 -3.659 -3.591 1.00 50.13 H new ATOM 0 HG2 PRO A 67 -0.346 -1.732 -2.233 1.00 55.41 H new ATOM 0 HG3 PRO A 67 -0.581 -1.934 -3.957 1.00 55.41 H new ATOM 0 HD2 PRO A 67 -2.371 -2.824 -1.692 1.00 34.15 H new ATOM 0 HD3 PRO A 67 -2.817 -2.105 -3.226 1.00 34.15 H new ATOM 991 N GLN A 68 -0.645 -7.195 -3.096 1.00 22.51 N ATOM 992 CA GLN A 68 -0.597 -8.469 -2.365 1.00 44.52 C ATOM 993 C GLN A 68 0.527 -8.492 -1.345 1.00 74.00 C ATOM 994 O GLN A 68 0.464 -9.194 -0.350 1.00 20.42 O ATOM 995 CB GLN A 68 -0.469 -9.603 -3.364 1.00 61.32 C ATOM 996 CG GLN A 68 -0.218 -10.988 -2.797 1.00 43.12 C ATOM 997 CD GLN A 68 -0.269 -12.050 -3.867 1.00 52.40 C ATOM 998 OE1 GLN A 68 -1.082 -11.836 -4.873 1.00 51.25 O flip ATOM 999 NE2 GLN A 68 0.408 -13.071 -3.781 1.00 61.35 N flip ATOM 0 H GLN A 68 -0.500 -7.295 -4.101 1.00 22.51 H new ATOM 0 HA GLN A 68 -1.521 -8.590 -1.800 1.00 44.52 H new ATOM 0 HB2 GLN A 68 -1.383 -9.639 -3.956 1.00 61.32 H new ATOM 0 HB3 GLN A 68 0.345 -9.363 -4.048 1.00 61.32 H new ATOM 0 HG2 GLN A 68 0.757 -11.010 -2.310 1.00 43.12 H new ATOM 0 HG3 GLN A 68 -0.962 -11.208 -2.031 1.00 43.12 H new ATOM 0 HE21 GLN A 68 1.030 -13.205 -2.984 1.00 61.35 H new ATOM 0 HE22 GLN A 68 0.348 -13.785 -4.507 1.00 61.35 H new ATOM 1008 N VAL A 69 1.534 -7.689 -1.598 1.00 42.34 N ATOM 1009 CA VAL A 69 2.697 -7.569 -0.730 1.00 44.14 C ATOM 1010 C VAL A 69 2.339 -7.011 0.676 1.00 74.24 C ATOM 1011 O VAL A 69 3.167 -7.021 1.582 1.00 44.33 O ATOM 1012 CB VAL A 69 3.792 -6.706 -1.395 1.00 32.40 C ATOM 1013 CG1 VAL A 69 4.270 -7.354 -2.688 1.00 51.13 C ATOM 1014 CG2 VAL A 69 3.294 -5.287 -1.662 1.00 23.42 C ATOM 0 H VAL A 69 1.575 -7.090 -2.422 1.00 42.34 H new ATOM 0 HA VAL A 69 3.083 -8.577 -0.583 1.00 44.14 H new ATOM 0 HB VAL A 69 4.632 -6.642 -0.704 1.00 32.40 H new ATOM 0 HG11 VAL A 69 5.041 -6.732 -3.143 1.00 51.13 H new ATOM 0 HG12 VAL A 69 4.680 -8.340 -2.471 1.00 51.13 H new ATOM 0 HG13 VAL A 69 3.431 -7.454 -3.377 1.00 51.13 H new ATOM 0 HG21 VAL A 69 4.088 -4.705 -2.130 1.00 23.42 H new ATOM 0 HG22 VAL A 69 2.430 -5.323 -2.326 1.00 23.42 H new ATOM 0 HG23 VAL A 69 3.008 -4.819 -0.720 1.00 23.42 H new ATOM 1024 N PHE A 70 1.097 -6.537 0.830 1.00 24.33 N ATOM 1025 CA PHE A 70 0.575 -6.076 2.119 1.00 22.11 C ATOM 1026 C PHE A 70 0.169 -7.283 2.983 1.00 11.20 C ATOM 1027 O PHE A 70 -0.187 -7.152 4.162 1.00 34.20 O ATOM 1028 CB PHE A 70 -0.614 -5.103 1.918 1.00 71.44 C ATOM 1029 CG PHE A 70 -0.214 -3.680 1.541 1.00 3.45 C ATOM 1030 CD1 PHE A 70 0.767 -3.431 0.598 1.00 5.34 C ATOM 1031 CD2 PHE A 70 -0.804 -2.596 2.173 1.00 15.42 C ATOM 1032 CE1 PHE A 70 1.144 -2.138 0.286 1.00 23.41 C ATOM 1033 CE2 PHE A 70 -0.431 -1.303 1.873 1.00 32.21 C ATOM 1034 CZ PHE A 70 0.542 -1.072 0.927 1.00 43.44 C ATOM 0 H PHE A 70 0.427 -6.463 0.064 1.00 24.33 H new ATOM 0 HA PHE A 70 1.360 -5.528 2.640 1.00 22.11 H new ATOM 0 HB2 PHE A 70 -1.265 -5.502 1.140 1.00 71.44 H new ATOM 0 HB3 PHE A 70 -1.199 -5.070 2.837 1.00 71.44 H new ATOM 0 HD1 PHE A 70 1.246 -4.260 0.098 1.00 5.34 H new ATOM 0 HD2 PHE A 70 -1.570 -2.768 2.914 1.00 15.42 H new ATOM 0 HE1 PHE A 70 1.907 -1.961 -0.457 1.00 23.41 H new ATOM 0 HE2 PHE A 70 -0.901 -0.473 2.379 1.00 32.21 H new ATOM 0 HZ PHE A 70 0.834 -0.060 0.686 1.00 43.44 H new ATOM 1044 N PHE A 71 0.225 -8.447 2.380 1.00 63.13 N ATOM 1045 CA PHE A 71 -0.030 -9.697 3.040 1.00 75.22 C ATOM 1046 C PHE A 71 1.238 -10.514 2.994 1.00 75.24 C ATOM 1047 O PHE A 71 2.121 -10.239 2.190 1.00 42.31 O ATOM 1048 CB PHE A 71 -1.148 -10.488 2.340 1.00 41.24 C ATOM 1049 CG PHE A 71 -2.494 -9.835 2.367 1.00 75.41 C ATOM 1050 CD1 PHE A 71 -2.862 -8.947 1.378 1.00 51.23 C ATOM 1051 CD2 PHE A 71 -3.391 -10.114 3.382 1.00 52.05 C ATOM 1052 CE1 PHE A 71 -4.094 -8.346 1.399 1.00 33.21 C ATOM 1053 CE2 PHE A 71 -4.632 -9.514 3.408 1.00 64.25 C ATOM 1054 CZ PHE A 71 -4.986 -8.627 2.414 1.00 14.41 C ATOM 0 H PHE A 71 0.455 -8.549 1.392 1.00 63.13 H new ATOM 0 HA PHE A 71 -0.345 -9.496 4.064 1.00 75.22 H new ATOM 0 HB2 PHE A 71 -0.861 -10.653 1.301 1.00 41.24 H new ATOM 0 HB3 PHE A 71 -1.227 -11.469 2.808 1.00 41.24 H new ATOM 0 HD1 PHE A 71 -2.172 -8.723 0.578 1.00 51.23 H new ATOM 0 HD2 PHE A 71 -3.117 -10.809 4.162 1.00 52.05 H new ATOM 0 HE1 PHE A 71 -4.367 -7.651 0.619 1.00 33.21 H new ATOM 0 HE2 PHE A 71 -5.325 -9.738 4.205 1.00 64.25 H new ATOM 0 HZ PHE A 71 -5.957 -8.154 2.429 1.00 14.41 H new ATOM 1064 N THR A 72 1.329 -11.491 3.841 1.00 23.23 N ATOM 1065 CA THR A 72 2.444 -12.396 3.849 1.00 31.53 C ATOM 1066 C THR A 72 2.093 -13.566 2.930 1.00 42.32 C ATOM 1067 O THR A 72 0.915 -13.712 2.549 1.00 71.23 O ATOM 1068 CB THR A 72 2.714 -12.913 5.283 1.00 53.32 C ATOM 1069 OG1 THR A 72 1.522 -13.537 5.794 1.00 52.35 O ATOM 1070 CG2 THR A 72 3.119 -11.764 6.213 1.00 64.44 C ATOM 0 H THR A 72 0.627 -11.688 4.554 1.00 23.23 H new ATOM 0 HA THR A 72 3.344 -11.888 3.503 1.00 31.53 H new ATOM 0 HB THR A 72 3.532 -13.633 5.244 1.00 53.32 H new ATOM 0 HG1 THR A 72 0.880 -12.846 6.060 1.00 52.35 H new ATOM 0 HG21 THR A 72 3.303 -12.154 7.214 1.00 64.44 H new ATOM 0 HG22 THR A 72 4.026 -11.292 5.835 1.00 64.44 H new ATOM 0 HG23 THR A 72 2.316 -11.028 6.252 1.00 64.44 H new ATOM 1078 N ASN A 73 3.062 -14.417 2.587 1.00 21.42 N ATOM 1079 CA ASN A 73 2.773 -15.560 1.696 1.00 61.34 C ATOM 1080 C ASN A 73 1.853 -16.577 2.333 1.00 3.14 C ATOM 1081 O ASN A 73 1.257 -17.398 1.645 1.00 61.14 O ATOM 1082 CB ASN A 73 4.026 -16.263 1.143 1.00 22.42 C ATOM 1083 CG ASN A 73 4.694 -15.499 0.022 1.00 35.15 C ATOM 1084 OD1 ASN A 73 5.766 -14.825 0.307 1.00 50.52 O flip ATOM 1085 ND2 ASN A 73 4.274 -15.598 -1.130 1.00 45.33 N flip ATOM 0 H ASN A 73 4.031 -14.347 2.899 1.00 21.42 H new ATOM 0 HA ASN A 73 2.261 -15.106 0.847 1.00 61.34 H new ATOM 0 HB2 ASN A 73 4.741 -16.406 1.953 1.00 22.42 H new ATOM 0 HB3 ASN A 73 3.749 -17.254 0.784 1.00 22.42 H new ATOM 0 HD21 ASN A 73 3.428 -16.135 -1.320 1.00 45.33 H new ATOM 0 HD22 ASN A 73 4.772 -15.143 -1.895 1.00 45.33 H new ATOM 1092 N SER A 74 1.731 -16.516 3.640 1.00 14.51 N ATOM 1093 CA SER A 74 0.866 -17.412 4.367 1.00 55.52 C ATOM 1094 C SER A 74 -0.607 -16.952 4.295 1.00 72.41 C ATOM 1095 O SER A 74 -1.511 -17.672 4.707 1.00 54.51 O ATOM 1096 CB SER A 74 1.342 -17.490 5.809 1.00 13.01 C ATOM 1097 OG SER A 74 2.724 -17.858 5.852 1.00 60.44 O ATOM 0 H SER A 74 2.228 -15.845 4.226 1.00 14.51 H new ATOM 0 HA SER A 74 0.912 -18.402 3.913 1.00 55.52 H new ATOM 0 HB2 SER A 74 1.199 -16.527 6.300 1.00 13.01 H new ATOM 0 HB3 SER A 74 0.746 -18.219 6.358 1.00 13.01 H new ATOM 0 HG SER A 74 3.021 -17.904 6.785 1.00 60.44 H new ATOM 1103 N GLY A 75 -0.839 -15.753 3.767 1.00 1.53 N ATOM 1104 CA GLY A 75 -2.199 -15.246 3.652 1.00 51.20 C ATOM 1105 C GLY A 75 -2.617 -14.431 4.856 1.00 21.05 C ATOM 1106 O GLY A 75 -3.789 -14.097 5.018 1.00 24.42 O ATOM 0 H GLY A 75 -0.115 -15.125 3.418 1.00 1.53 H new ATOM 0 HA2 GLY A 75 -2.280 -14.631 2.755 1.00 51.20 H new ATOM 0 HA3 GLY A 75 -2.886 -16.083 3.527 1.00 51.20 H new ATOM 1110 N GLN A 76 -1.666 -14.133 5.704 1.00 5.10 N ATOM 1111 CA GLN A 76 -1.906 -13.319 6.872 1.00 11.30 C ATOM 1112 C GLN A 76 -1.492 -11.910 6.509 1.00 62.21 C ATOM 1113 O GLN A 76 -0.487 -11.735 5.818 1.00 72.02 O ATOM 1114 CB GLN A 76 -1.049 -13.831 8.036 1.00 12.53 C ATOM 1115 CG GLN A 76 -1.279 -13.128 9.368 1.00 62.20 C ATOM 1116 CD GLN A 76 -0.308 -13.593 10.438 1.00 51.50 C ATOM 1117 OE1 GLN A 76 0.772 -13.021 10.606 1.00 12.15 O ATOM 1118 NE2 GLN A 76 -0.668 -14.614 11.161 1.00 20.21 N ATOM 0 H GLN A 76 -0.701 -14.448 5.605 1.00 5.10 H new ATOM 0 HA GLN A 76 -2.952 -13.354 7.176 1.00 11.30 H new ATOM 0 HB2 GLN A 76 -1.241 -14.896 8.167 1.00 12.53 H new ATOM 0 HB3 GLN A 76 0.002 -13.728 7.766 1.00 12.53 H new ATOM 0 HG2 GLN A 76 -1.177 -12.051 9.231 1.00 62.20 H new ATOM 0 HG3 GLN A 76 -2.300 -13.312 9.702 1.00 62.20 H new ATOM 0 HE21 GLN A 76 -1.568 -15.064 10.996 1.00 20.21 H new ATOM 0 HE22 GLN A 76 -0.050 -14.964 11.893 1.00 20.21 H new ATOM 1127 N VAL A 77 -2.231 -10.929 6.933 1.00 33.23 N ATOM 1128 CA VAL A 77 -1.892 -9.559 6.611 1.00 13.54 C ATOM 1129 C VAL A 77 -0.662 -9.165 7.437 1.00 1.32 C ATOM 1130 O VAL A 77 -0.414 -9.762 8.512 1.00 74.31 O ATOM 1131 CB VAL A 77 -3.083 -8.576 6.889 1.00 21.32 C ATOM 1132 CG1 VAL A 77 -3.223 -8.232 8.359 1.00 4.54 C ATOM 1133 CG2 VAL A 77 -2.973 -7.322 6.046 1.00 20.04 C ATOM 0 H VAL A 77 -3.071 -11.042 7.501 1.00 33.23 H new ATOM 0 HA VAL A 77 -1.675 -9.488 5.545 1.00 13.54 H new ATOM 0 HB VAL A 77 -3.992 -9.103 6.599 1.00 21.32 H new ATOM 0 HG11 VAL A 77 -4.062 -7.549 8.495 1.00 4.54 H new ATOM 0 HG12 VAL A 77 -3.401 -9.143 8.931 1.00 4.54 H new ATOM 0 HG13 VAL A 77 -2.307 -7.756 8.710 1.00 4.54 H new ATOM 0 HG21 VAL A 77 -3.813 -6.663 6.263 1.00 20.04 H new ATOM 0 HG22 VAL A 77 -2.040 -6.809 6.278 1.00 20.04 H new ATOM 0 HG23 VAL A 77 -2.986 -7.591 4.990 1.00 20.04 H new ATOM 1143 N VAL A 78 0.128 -8.241 6.941 1.00 65.40 N ATOM 1144 CA VAL A 78 1.291 -7.783 7.670 1.00 74.20 C ATOM 1145 C VAL A 78 0.846 -7.115 8.967 1.00 42.53 C ATOM 1146 O VAL A 78 0.009 -6.229 8.966 1.00 62.24 O ATOM 1147 CB VAL A 78 2.155 -6.826 6.819 1.00 30.44 C ATOM 1148 CG1 VAL A 78 3.316 -6.253 7.618 1.00 45.51 C ATOM 1149 CG2 VAL A 78 2.673 -7.554 5.590 1.00 24.34 C ATOM 0 H VAL A 78 -0.012 -7.791 6.036 1.00 65.40 H new ATOM 0 HA VAL A 78 1.915 -8.645 7.908 1.00 74.20 H new ATOM 0 HB VAL A 78 1.525 -5.992 6.510 1.00 30.44 H new ATOM 0 HG11 VAL A 78 3.899 -5.585 6.984 1.00 45.51 H new ATOM 0 HG12 VAL A 78 2.930 -5.697 8.473 1.00 45.51 H new ATOM 0 HG13 VAL A 78 3.951 -7.066 7.970 1.00 45.51 H new ATOM 0 HG21 VAL A 78 3.282 -6.874 4.994 1.00 24.34 H new ATOM 0 HG22 VAL A 78 3.278 -8.406 5.900 1.00 24.34 H new ATOM 0 HG23 VAL A 78 1.831 -7.905 4.993 1.00 24.34 H new ATOM 1159 N LYS A 79 1.395 -7.569 10.053 1.00 10.24 N ATOM 1160 CA LYS A 79 0.994 -7.097 11.376 1.00 73.13 C ATOM 1161 C LYS A 79 1.316 -5.616 11.615 1.00 50.52 C ATOM 1162 O LYS A 79 0.558 -4.907 12.259 1.00 52.11 O ATOM 1163 CB LYS A 79 1.596 -7.962 12.472 1.00 42.32 C ATOM 1164 CG LYS A 79 3.091 -7.950 12.471 1.00 23.34 C ATOM 1165 CD LYS A 79 3.677 -8.769 13.599 1.00 24.43 C ATOM 1166 CE LYS A 79 3.372 -10.246 13.450 1.00 44.23 C ATOM 1167 NZ LYS A 79 3.984 -11.041 14.532 1.00 64.21 N ATOM 0 H LYS A 79 2.132 -8.274 10.065 1.00 10.24 H new ATOM 0 HA LYS A 79 -0.092 -7.187 11.412 1.00 73.13 H new ATOM 0 HB2 LYS A 79 1.236 -7.614 13.440 1.00 42.32 H new ATOM 0 HB3 LYS A 79 1.246 -8.987 12.351 1.00 42.32 H new ATOM 0 HG2 LYS A 79 3.454 -8.337 11.519 1.00 23.34 H new ATOM 0 HG3 LYS A 79 3.443 -6.922 12.552 1.00 23.34 H new ATOM 0 HD2 LYS A 79 4.757 -8.624 13.629 1.00 24.43 H new ATOM 0 HD3 LYS A 79 3.281 -8.412 14.550 1.00 24.43 H new ATOM 0 HE2 LYS A 79 2.293 -10.397 13.453 1.00 44.23 H new ATOM 0 HE3 LYS A 79 3.740 -10.598 12.486 1.00 44.23 H new ATOM 0 HZ1 LYS A 79 3.870 -12.054 14.325 1.00 64.21 H new ATOM 0 HZ2 LYS A 79 4.996 -10.813 14.600 1.00 64.21 H new ATOM 0 HZ3 LYS A 79 3.517 -10.817 15.434 1.00 64.21 H new ATOM 1181 N SER A 80 2.404 -5.147 11.058 1.00 12.01 N ATOM 1182 CA SER A 80 2.830 -3.780 11.274 1.00 21.55 C ATOM 1183 C SER A 80 2.254 -2.858 10.172 1.00 32.51 C ATOM 1184 O SER A 80 2.556 -1.660 10.112 1.00 21.45 O ATOM 1185 CB SER A 80 4.367 -3.748 11.305 1.00 23.35 C ATOM 1186 OG SER A 80 4.881 -2.492 11.708 1.00 31.13 O ATOM 0 H SER A 80 3.015 -5.691 10.449 1.00 12.01 H new ATOM 0 HA SER A 80 2.452 -3.409 12.227 1.00 21.55 H new ATOM 0 HB2 SER A 80 4.728 -4.519 11.986 1.00 23.35 H new ATOM 0 HB3 SER A 80 4.751 -3.992 10.315 1.00 23.35 H new ATOM 0 HG SER A 80 4.312 -1.777 11.353 1.00 31.13 H new ATOM 1192 N LEU A 81 1.368 -3.418 9.356 1.00 2.24 N ATOM 1193 CA LEU A 81 0.770 -2.711 8.227 1.00 3.20 C ATOM 1194 C LEU A 81 0.010 -1.432 8.676 1.00 1.23 C ATOM 1195 O LEU A 81 0.310 -0.340 8.182 1.00 73.42 O ATOM 1196 CB LEU A 81 -0.165 -3.633 7.453 1.00 52.43 C ATOM 1197 CG LEU A 81 -0.534 -3.190 6.063 1.00 41.15 C ATOM 1198 CD1 LEU A 81 0.671 -3.326 5.162 1.00 62.34 C ATOM 1199 CD2 LEU A 81 -1.679 -4.019 5.545 1.00 30.24 C ATOM 0 H LEU A 81 1.042 -4.379 9.459 1.00 2.24 H new ATOM 0 HA LEU A 81 1.585 -2.398 7.575 1.00 3.20 H new ATOM 0 HB2 LEU A 81 0.301 -4.616 7.387 1.00 52.43 H new ATOM 0 HB3 LEU A 81 -1.082 -3.753 8.029 1.00 52.43 H new ATOM 0 HG LEU A 81 -0.849 -2.147 6.082 1.00 41.15 H new ATOM 0 HD11 LEU A 81 0.409 -3.006 4.153 1.00 62.34 H new ATOM 0 HD12 LEU A 81 1.481 -2.703 5.541 1.00 62.34 H new ATOM 0 HD13 LEU A 81 0.993 -4.367 5.140 1.00 62.34 H new ATOM 0 HD21 LEU A 81 -1.939 -3.691 4.539 1.00 30.24 H new ATOM 0 HD22 LEU A 81 -1.386 -5.069 5.521 1.00 30.24 H new ATOM 0 HD23 LEU A 81 -2.542 -3.898 6.200 1.00 30.24 H new ATOM 1211 N PRO A 82 -0.965 -1.519 9.648 1.00 54.40 N ATOM 1212 CA PRO A 82 -1.698 -0.336 10.106 1.00 34.14 C ATOM 1213 C PRO A 82 -0.773 0.687 10.762 1.00 31.34 C ATOM 1214 O PRO A 82 -1.052 1.880 10.745 1.00 13.13 O ATOM 1215 CB PRO A 82 -2.698 -0.888 11.133 1.00 52.15 C ATOM 1216 CG PRO A 82 -2.121 -2.186 11.563 1.00 73.32 C ATOM 1217 CD PRO A 82 -1.441 -2.741 10.354 1.00 62.12 C ATOM 0 HA PRO A 82 -2.177 0.187 9.279 1.00 34.14 H new ATOM 0 HB2 PRO A 82 -2.815 -0.208 11.977 1.00 52.15 H new ATOM 0 HB3 PRO A 82 -3.686 -1.021 10.692 1.00 52.15 H new ATOM 0 HG2 PRO A 82 -1.415 -2.049 12.382 1.00 73.32 H new ATOM 0 HG3 PRO A 82 -2.898 -2.861 11.921 1.00 73.32 H new ATOM 0 HD2 PRO A 82 -0.615 -3.400 10.622 1.00 62.12 H new ATOM 0 HD3 PRO A 82 -2.126 -3.323 9.737 1.00 62.12 H new ATOM 1225 N GLY A 83 0.349 0.209 11.287 1.00 72.11 N ATOM 1226 CA GLY A 83 1.288 1.071 11.974 1.00 61.02 C ATOM 1227 C GLY A 83 1.956 2.042 11.030 1.00 14.53 C ATOM 1228 O GLY A 83 2.027 3.243 11.312 1.00 3.04 O ATOM 0 H GLY A 83 0.626 -0.772 11.247 1.00 72.11 H new ATOM 0 HA2 GLY A 83 0.768 1.624 12.756 1.00 61.02 H new ATOM 0 HA3 GLY A 83 2.047 0.462 12.466 1.00 61.02 H new ATOM 1232 N LEU A 84 2.392 1.541 9.879 1.00 31.25 N ATOM 1233 CA LEU A 84 3.041 2.382 8.884 1.00 33.53 C ATOM 1234 C LEU A 84 2.021 3.362 8.317 1.00 44.04 C ATOM 1235 O LEU A 84 2.313 4.537 8.093 1.00 62.44 O ATOM 1236 CB LEU A 84 3.740 1.535 7.778 1.00 40.20 C ATOM 1237 CG LEU A 84 2.859 0.838 6.720 1.00 5.53 C ATOM 1238 CD1 LEU A 84 2.660 1.727 5.490 1.00 15.02 C ATOM 1239 CD2 LEU A 84 3.443 -0.510 6.332 1.00 5.25 C ATOM 0 H LEU A 84 2.307 0.560 9.614 1.00 31.25 H new ATOM 0 HA LEU A 84 3.838 2.954 9.360 1.00 33.53 H new ATOM 0 HB2 LEU A 84 4.437 2.187 7.252 1.00 40.20 H new ATOM 0 HB3 LEU A 84 4.334 0.767 8.274 1.00 40.20 H new ATOM 0 HG LEU A 84 1.878 0.665 7.164 1.00 5.53 H new ATOM 0 HD11 LEU A 84 2.035 1.208 4.763 1.00 15.02 H new ATOM 0 HD12 LEU A 84 2.175 2.657 5.788 1.00 15.02 H new ATOM 0 HD13 LEU A 84 3.628 1.951 5.042 1.00 15.02 H new ATOM 0 HD21 LEU A 84 2.804 -0.982 5.585 1.00 5.25 H new ATOM 0 HD22 LEU A 84 4.441 -0.368 5.918 1.00 5.25 H new ATOM 0 HD23 LEU A 84 3.503 -1.148 7.214 1.00 5.25 H new ATOM 1251 N LEU A 85 0.816 2.868 8.113 1.00 30.41 N ATOM 1252 CA LEU A 85 -0.264 3.676 7.592 1.00 70.10 C ATOM 1253 C LEU A 85 -0.627 4.797 8.561 1.00 43.13 C ATOM 1254 O LEU A 85 -0.836 5.925 8.148 1.00 1.23 O ATOM 1255 CB LEU A 85 -1.483 2.806 7.274 1.00 71.33 C ATOM 1256 CG LEU A 85 -1.262 1.710 6.221 1.00 15.41 C ATOM 1257 CD1 LEU A 85 -2.506 0.856 6.058 1.00 62.50 C ATOM 1258 CD2 LEU A 85 -0.862 2.324 4.888 1.00 54.55 C ATOM 0 H LEU A 85 0.560 1.899 8.303 1.00 30.41 H new ATOM 0 HA LEU A 85 0.074 4.138 6.664 1.00 70.10 H new ATOM 0 HB2 LEU A 85 -1.821 2.335 8.197 1.00 71.33 H new ATOM 0 HB3 LEU A 85 -2.290 3.454 6.933 1.00 71.33 H new ATOM 0 HG LEU A 85 -0.451 1.068 6.566 1.00 15.41 H new ATOM 0 HD11 LEU A 85 -2.324 0.087 5.307 1.00 62.50 H new ATOM 0 HD12 LEU A 85 -2.750 0.383 7.009 1.00 62.50 H new ATOM 0 HD13 LEU A 85 -3.339 1.483 5.741 1.00 62.50 H new ATOM 0 HD21 LEU A 85 -0.710 1.533 4.154 1.00 54.55 H new ATOM 0 HD22 LEU A 85 -1.652 2.991 4.543 1.00 54.55 H new ATOM 0 HD23 LEU A 85 0.062 2.888 5.010 1.00 54.55 H new ATOM 1270 N THR A 86 -0.631 4.486 9.846 1.00 15.14 N ATOM 1271 CA THR A 86 -0.984 5.460 10.879 1.00 2.45 C ATOM 1272 C THR A 86 -0.003 6.646 10.897 1.00 21.42 C ATOM 1273 O THR A 86 -0.428 7.818 10.898 1.00 31.11 O ATOM 1274 CB THR A 86 -1.047 4.803 12.290 1.00 64.52 C ATOM 1275 OG1 THR A 86 -2.049 3.772 12.302 1.00 31.21 O ATOM 1276 CG2 THR A 86 -1.377 5.829 13.375 1.00 25.15 C ATOM 0 H THR A 86 -0.393 3.562 10.206 1.00 15.14 H new ATOM 0 HA THR A 86 -1.976 5.835 10.629 1.00 2.45 H new ATOM 0 HB THR A 86 -0.065 4.380 12.502 1.00 64.52 H new ATOM 0 HG1 THR A 86 -1.756 3.024 11.741 1.00 31.21 H new ATOM 0 HG21 THR A 86 -1.412 5.334 14.345 1.00 25.15 H new ATOM 0 HG22 THR A 86 -0.609 6.602 13.390 1.00 25.15 H new ATOM 0 HG23 THR A 86 -2.345 6.283 13.164 1.00 25.15 H new ATOM 1284 N ILE A 87 1.286 6.346 10.870 1.00 13.14 N ATOM 1285 CA ILE A 87 2.299 7.382 10.940 1.00 35.50 C ATOM 1286 C ILE A 87 2.300 8.258 9.660 1.00 3.41 C ATOM 1287 O ILE A 87 2.347 9.486 9.741 1.00 33.23 O ATOM 1288 CB ILE A 87 3.720 6.784 11.345 1.00 23.23 C ATOM 1289 CG1 ILE A 87 4.832 7.860 11.545 1.00 62.44 C ATOM 1290 CG2 ILE A 87 4.179 5.688 10.394 1.00 51.34 C ATOM 1291 CD1 ILE A 87 5.407 8.468 10.278 1.00 35.11 C ATOM 0 H ILE A 87 1.652 5.397 10.800 1.00 13.14 H new ATOM 0 HA ILE A 87 2.046 8.067 11.749 1.00 35.50 H new ATOM 0 HB ILE A 87 3.560 6.334 12.325 1.00 23.23 H new ATOM 0 HG12 ILE A 87 4.425 8.664 12.158 1.00 62.44 H new ATOM 0 HG13 ILE A 87 5.648 7.410 12.111 1.00 62.44 H new ATOM 0 HG21 ILE A 87 5.152 5.313 10.713 1.00 51.34 H new ATOM 0 HG22 ILE A 87 3.456 4.873 10.402 1.00 51.34 H new ATOM 0 HG23 ILE A 87 4.259 6.092 9.385 1.00 51.34 H new ATOM 0 HD11 ILE A 87 6.170 9.201 10.540 1.00 35.11 H new ATOM 0 HD12 ILE A 87 5.853 7.683 9.668 1.00 35.11 H new ATOM 0 HD13 ILE A 87 4.612 8.957 9.716 1.00 35.11 H new ATOM 1303 N LEU A 88 2.203 7.637 8.495 1.00 44.33 N ATOM 1304 CA LEU A 88 2.137 8.396 7.241 1.00 1.45 C ATOM 1305 C LEU A 88 0.855 9.199 7.122 1.00 63.03 C ATOM 1306 O LEU A 88 0.855 10.306 6.578 1.00 75.41 O ATOM 1307 CB LEU A 88 2.344 7.531 6.004 1.00 32.25 C ATOM 1308 CG LEU A 88 3.791 7.187 5.594 1.00 11.31 C ATOM 1309 CD1 LEU A 88 4.608 8.435 5.302 1.00 24.24 C ATOM 1310 CD2 LEU A 88 4.477 6.340 6.618 1.00 40.24 C ATOM 0 H LEU A 88 2.168 6.624 8.384 1.00 44.33 H new ATOM 0 HA LEU A 88 2.972 9.095 7.286 1.00 1.45 H new ATOM 0 HB2 LEU A 88 1.809 6.594 6.159 1.00 32.25 H new ATOM 0 HB3 LEU A 88 1.869 8.034 5.162 1.00 32.25 H new ATOM 0 HG LEU A 88 3.720 6.607 4.674 1.00 11.31 H new ATOM 0 HD11 LEU A 88 5.620 8.149 5.017 1.00 24.24 H new ATOM 0 HD12 LEU A 88 4.145 8.990 4.486 1.00 24.24 H new ATOM 0 HD13 LEU A 88 4.645 9.062 6.193 1.00 24.24 H new ATOM 0 HD21 LEU A 88 5.493 6.122 6.288 1.00 40.24 H new ATOM 0 HD22 LEU A 88 4.510 6.873 7.568 1.00 40.24 H new ATOM 0 HD23 LEU A 88 3.928 5.407 6.745 1.00 40.24 H new ATOM 1322 N HIS A 89 -0.232 8.650 7.619 1.00 10.52 N ATOM 1323 CA HIS A 89 -1.509 9.347 7.614 1.00 65.23 C ATOM 1324 C HIS A 89 -1.419 10.593 8.515 1.00 14.12 C ATOM 1325 O HIS A 89 -2.028 11.624 8.232 1.00 75.11 O ATOM 1326 CB HIS A 89 -2.645 8.407 8.059 1.00 32.13 C ATOM 1327 CG HIS A 89 -4.019 9.005 7.990 1.00 14.52 C ATOM 1328 ND1 HIS A 89 -4.711 9.448 9.082 1.00 3.21 N ATOM 1329 CD2 HIS A 89 -4.827 9.217 6.925 1.00 42.44 C ATOM 1330 CE1 HIS A 89 -5.886 9.907 8.671 1.00 13.55 C ATOM 1331 NE2 HIS A 89 -6.014 9.793 7.362 1.00 44.34 N ATOM 0 H HIS A 89 -0.261 7.719 8.034 1.00 10.52 H new ATOM 0 HA HIS A 89 -1.739 9.671 6.599 1.00 65.23 H new ATOM 0 HB2 HIS A 89 -2.622 7.512 7.437 1.00 32.13 H new ATOM 0 HB3 HIS A 89 -2.454 8.088 9.084 1.00 32.13 H new ATOM 0 HD2 HIS A 89 -4.588 8.977 5.900 1.00 42.44 H new ATOM 0 HE1 HIS A 89 -6.641 10.321 9.323 1.00 13.55 H new ATOM 0 HE2 HIS A 89 -6.814 10.069 6.792 1.00 44.34 H new ATOM 1339 N ASP A 90 -0.632 10.494 9.578 1.00 60.32 N ATOM 1340 CA ASP A 90 -0.388 11.624 10.493 1.00 51.45 C ATOM 1341 C ASP A 90 0.425 12.717 9.801 1.00 42.45 C ATOM 1342 O ASP A 90 0.238 13.912 10.057 1.00 52.52 O ATOM 1343 CB ASP A 90 0.352 11.143 11.748 1.00 63.15 C ATOM 1344 CG ASP A 90 0.751 12.273 12.672 1.00 40.42 C ATOM 1345 OD1 ASP A 90 -0.110 12.797 13.389 1.00 42.51 O ATOM 1346 OD2 ASP A 90 1.947 12.637 12.721 1.00 51.32 O ATOM 0 H ASP A 90 -0.143 9.638 9.838 1.00 60.32 H new ATOM 0 HA ASP A 90 -1.353 12.039 10.784 1.00 51.45 H new ATOM 0 HB2 ASP A 90 -0.284 10.444 12.292 1.00 63.15 H new ATOM 0 HB3 ASP A 90 1.245 10.594 11.448 1.00 63.15 H new ATOM 1351 N GLY A 91 1.280 12.302 8.880 1.00 0.31 N ATOM 1352 CA GLY A 91 2.091 13.241 8.132 1.00 51.34 C ATOM 1353 C GLY A 91 1.361 13.781 6.915 1.00 74.44 C ATOM 1354 O GLY A 91 1.834 14.710 6.261 1.00 54.10 O ATOM 0 H GLY A 91 1.428 11.323 8.635 1.00 0.31 H new ATOM 0 HA2 GLY A 91 2.377 14.069 8.780 1.00 51.34 H new ATOM 0 HA3 GLY A 91 3.012 12.752 7.815 1.00 51.34 H new ATOM 1358 N GLY A 92 0.216 13.194 6.615 1.00 51.20 N ATOM 1359 CA GLY A 92 -0.588 13.638 5.498 1.00 21.12 C ATOM 1360 C GLY A 92 -0.090 13.097 4.175 1.00 4.54 C ATOM 1361 O GLY A 92 0.082 13.846 3.211 1.00 40.23 O ATOM 0 H GLY A 92 -0.176 12.407 7.133 1.00 51.20 H new ATOM 0 HA2 GLY A 92 -1.621 13.324 5.650 1.00 21.12 H new ATOM 0 HA3 GLY A 92 -0.588 14.727 5.465 1.00 21.12 H new ATOM 1365 N TYR A 93 0.166 11.812 4.128 1.00 24.15 N ATOM 1366 CA TYR A 93 0.630 11.174 2.916 1.00 34.35 C ATOM 1367 C TYR A 93 -0.430 10.251 2.336 1.00 15.04 C ATOM 1368 O TYR A 93 -1.118 9.540 3.071 1.00 13.11 O ATOM 1369 CB TYR A 93 1.945 10.417 3.157 1.00 54.52 C ATOM 1370 CG TYR A 93 3.135 11.326 3.417 1.00 43.30 C ATOM 1371 CD1 TYR A 93 3.384 11.856 4.678 1.00 11.14 C ATOM 1372 CD2 TYR A 93 4.002 11.658 2.391 1.00 74.25 C ATOM 1373 CE1 TYR A 93 4.462 12.692 4.900 1.00 10.51 C ATOM 1374 CE2 TYR A 93 5.079 12.486 2.604 1.00 64.54 C ATOM 1375 CZ TYR A 93 5.308 13.002 3.857 1.00 4.51 C ATOM 1376 OH TYR A 93 6.380 13.846 4.059 1.00 12.42 O ATOM 0 H TYR A 93 0.060 11.181 4.922 1.00 24.15 H new ATOM 0 HA TYR A 93 0.823 11.959 2.185 1.00 34.35 H new ATOM 0 HB2 TYR A 93 1.818 9.748 4.008 1.00 54.52 H new ATOM 0 HB3 TYR A 93 2.159 9.793 2.289 1.00 54.52 H new ATOM 0 HD1 TYR A 93 2.724 11.610 5.497 1.00 11.14 H new ATOM 0 HD2 TYR A 93 3.829 11.259 1.403 1.00 74.25 H new ATOM 0 HE1 TYR A 93 4.640 13.100 5.884 1.00 10.51 H new ATOM 0 HE2 TYR A 93 5.743 12.730 1.788 1.00 64.54 H new ATOM 0 HH TYR A 93 7.163 13.322 4.327 1.00 12.42 H new ATOM 1386 N ARG A 94 -0.574 10.295 1.023 1.00 24.34 N ATOM 1387 CA ARG A 94 -1.512 9.437 0.310 1.00 70.51 C ATOM 1388 C ARG A 94 -0.850 8.098 -0.008 1.00 50.54 C ATOM 1389 O ARG A 94 0.368 7.957 0.129 1.00 53.01 O ATOM 1390 CB ARG A 94 -2.017 10.093 -1.000 1.00 75.35 C ATOM 1391 CG ARG A 94 -0.922 10.392 -2.013 1.00 11.35 C ATOM 1392 CD ARG A 94 -1.465 10.895 -3.333 1.00 73.34 C ATOM 1393 NE ARG A 94 -0.388 11.101 -4.324 1.00 75.25 N ATOM 1394 CZ ARG A 94 -0.576 11.117 -5.658 1.00 65.30 C ATOM 1395 NH1 ARG A 94 -1.799 11.021 -6.165 1.00 63.13 N ATOM 1396 NH2 ARG A 94 0.457 11.239 -6.481 1.00 22.04 N ATOM 0 H ARG A 94 -0.046 10.925 0.419 1.00 24.34 H new ATOM 0 HA ARG A 94 -2.375 9.282 0.958 1.00 70.51 H new ATOM 0 HB2 ARG A 94 -2.753 9.435 -1.462 1.00 75.35 H new ATOM 0 HB3 ARG A 94 -2.531 11.022 -0.753 1.00 75.35 H new ATOM 0 HG2 ARG A 94 -0.243 11.136 -1.598 1.00 11.35 H new ATOM 0 HG3 ARG A 94 -0.337 9.489 -2.187 1.00 11.35 H new ATOM 0 HD2 ARG A 94 -2.188 10.180 -3.725 1.00 73.34 H new ATOM 0 HD3 ARG A 94 -1.997 11.833 -3.174 1.00 73.34 H new ATOM 0 HE ARG A 94 0.560 11.240 -3.975 1.00 75.25 H new ATOM 0 HH11 ARG A 94 -2.603 10.935 -5.544 1.00 63.13 H new ATOM 0 HH12 ARG A 94 -1.934 11.034 -7.176 1.00 63.13 H new ATOM 0 HH21 ARG A 94 1.402 11.321 -6.105 1.00 22.04 H new ATOM 0 HH22 ARG A 94 0.307 11.250 -7.490 1.00 22.04 H new ATOM 1410 N ASP A 95 -1.649 7.168 -0.484 1.00 21.10 N ATOM 1411 CA ASP A 95 -1.251 5.785 -0.823 1.00 13.41 C ATOM 1412 C ASP A 95 -0.084 5.771 -1.808 1.00 14.21 C ATOM 1413 O ASP A 95 0.865 4.991 -1.661 1.00 11.44 O ATOM 1414 CB ASP A 95 -2.449 5.057 -1.462 1.00 14.43 C ATOM 1415 CG ASP A 95 -2.860 5.678 -2.789 1.00 14.12 C ATOM 1416 OD1 ASP A 95 -3.176 6.902 -2.812 1.00 44.22 O ATOM 1417 OD2 ASP A 95 -2.803 5.001 -3.815 1.00 25.35 O ATOM 0 H ASP A 95 -2.638 7.344 -0.659 1.00 21.10 H new ATOM 0 HA ASP A 95 -0.939 5.284 0.094 1.00 13.41 H new ATOM 0 HB2 ASP A 95 -2.194 4.009 -1.617 1.00 14.43 H new ATOM 0 HB3 ASP A 95 -3.295 5.081 -0.775 1.00 14.43 H new ATOM 1422 N THR A 96 -0.149 6.657 -2.773 1.00 23.22 N ATOM 1423 CA THR A 96 0.841 6.778 -3.788 1.00 20.40 C ATOM 1424 C THR A 96 2.207 7.140 -3.173 1.00 11.15 C ATOM 1425 O THR A 96 3.232 6.567 -3.539 1.00 71.51 O ATOM 1426 CB THR A 96 0.388 7.810 -4.819 1.00 52.23 C ATOM 1427 OG1 THR A 96 -0.978 7.497 -5.212 1.00 13.21 O ATOM 1428 CG2 THR A 96 1.282 7.768 -6.043 1.00 42.33 C ATOM 0 H THR A 96 -0.915 7.324 -2.866 1.00 23.22 H new ATOM 0 HA THR A 96 0.964 5.821 -4.295 1.00 20.40 H new ATOM 0 HB THR A 96 0.445 8.807 -4.382 1.00 52.23 H new ATOM 0 HG1 THR A 96 -1.445 8.323 -5.456 1.00 13.21 H new ATOM 0 HG21 THR A 96 0.944 8.510 -6.766 1.00 42.33 H new ATOM 0 HG22 THR A 96 2.309 7.988 -5.751 1.00 42.33 H new ATOM 0 HG23 THR A 96 1.237 6.776 -6.493 1.00 42.33 H new ATOM 1436 N GLU A 97 2.195 8.044 -2.190 1.00 63.12 N ATOM 1437 CA GLU A 97 3.421 8.454 -1.517 1.00 45.51 C ATOM 1438 C GLU A 97 3.979 7.271 -0.749 1.00 41.03 C ATOM 1439 O GLU A 97 5.176 7.051 -0.737 1.00 62.15 O ATOM 1440 CB GLU A 97 3.179 9.591 -0.523 1.00 45.54 C ATOM 1441 CG GLU A 97 2.358 10.751 -1.044 1.00 53.31 C ATOM 1442 CD GLU A 97 2.902 11.377 -2.294 1.00 30.44 C ATOM 1443 OE1 GLU A 97 3.822 12.225 -2.201 1.00 13.34 O ATOM 1444 OE2 GLU A 97 2.376 11.082 -3.382 1.00 41.42 O ATOM 0 H GLU A 97 1.351 8.502 -1.846 1.00 63.12 H new ATOM 0 HA GLU A 97 4.116 8.804 -2.281 1.00 45.51 H new ATOM 0 HB2 GLU A 97 2.680 9.182 0.355 1.00 45.54 H new ATOM 0 HB3 GLU A 97 4.145 9.972 -0.192 1.00 45.54 H new ATOM 0 HG2 GLU A 97 1.342 10.405 -1.237 1.00 53.31 H new ATOM 0 HG3 GLU A 97 2.293 11.513 -0.268 1.00 53.31 H new ATOM 1451 N ILE A 98 3.076 6.479 -0.154 1.00 42.52 N ATOM 1452 CA ILE A 98 3.472 5.330 0.660 1.00 31.11 C ATOM 1453 C ILE A 98 4.239 4.362 -0.211 1.00 54.21 C ATOM 1454 O ILE A 98 5.342 3.956 0.112 1.00 55.22 O ATOM 1455 CB ILE A 98 2.239 4.540 1.218 1.00 4.23 C ATOM 1456 CG1 ILE A 98 1.185 5.455 1.849 1.00 60.32 C ATOM 1457 CG2 ILE A 98 2.684 3.491 2.224 1.00 44.25 C ATOM 1458 CD1 ILE A 98 1.690 6.344 2.941 1.00 61.21 C ATOM 0 H ILE A 98 2.068 6.616 -0.223 1.00 42.52 H new ATOM 0 HA ILE A 98 4.061 5.715 1.492 1.00 31.11 H new ATOM 0 HB ILE A 98 1.773 4.050 0.363 1.00 4.23 H new ATOM 0 HG12 ILE A 98 0.751 6.077 1.066 1.00 60.32 H new ATOM 0 HG13 ILE A 98 0.381 4.837 2.248 1.00 60.32 H new ATOM 0 HG21 ILE A 98 1.813 2.954 2.599 1.00 44.25 H new ATOM 0 HG22 ILE A 98 3.363 2.788 1.741 1.00 44.25 H new ATOM 0 HG23 ILE A 98 3.196 3.977 3.054 1.00 44.25 H new ATOM 0 HD11 ILE A 98 0.870 6.952 3.323 1.00 61.21 H new ATOM 0 HD12 ILE A 98 2.096 5.734 3.748 1.00 61.21 H new ATOM 0 HD13 ILE A 98 2.472 6.994 2.549 1.00 61.21 H new ATOM 1470 N MET A 99 3.679 4.082 -1.364 1.00 64.24 N ATOM 1471 CA MET A 99 4.255 3.129 -2.288 1.00 61.44 C ATOM 1472 C MET A 99 5.512 3.657 -2.944 1.00 24.12 C ATOM 1473 O MET A 99 6.341 2.876 -3.400 1.00 51.31 O ATOM 1474 CB MET A 99 3.258 2.734 -3.351 1.00 52.42 C ATOM 1475 CG MET A 99 2.044 2.006 -2.836 1.00 71.33 C ATOM 1476 SD MET A 99 0.915 1.580 -4.165 1.00 14.41 S ATOM 1477 CE MET A 99 0.353 3.221 -4.628 1.00 71.10 C ATOM 0 H MET A 99 2.811 4.508 -1.690 1.00 64.24 H new ATOM 0 HA MET A 99 4.523 2.251 -1.701 1.00 61.44 H new ATOM 0 HB2 MET A 99 2.931 3.632 -3.875 1.00 52.42 H new ATOM 0 HB3 MET A 99 3.760 2.102 -4.084 1.00 52.42 H new ATOM 0 HG2 MET A 99 2.356 1.099 -2.318 1.00 71.33 H new ATOM 0 HG3 MET A 99 1.528 2.629 -2.105 1.00 71.33 H new ATOM 0 HE1 MET A 99 -0.486 3.137 -5.319 1.00 71.10 H new ATOM 0 HE2 MET A 99 0.036 3.762 -3.736 1.00 71.10 H new ATOM 0 HE3 MET A 99 1.167 3.762 -5.110 1.00 71.10 H new ATOM 1487 N ARG A 100 5.652 4.980 -2.970 1.00 75.02 N ATOM 1488 CA ARG A 100 6.799 5.648 -3.570 1.00 25.24 C ATOM 1489 C ARG A 100 8.081 5.113 -2.916 1.00 44.25 C ATOM 1490 O ARG A 100 8.882 4.440 -3.566 1.00 44.13 O ATOM 1491 CB ARG A 100 6.613 7.189 -3.390 1.00 60.02 C ATOM 1492 CG ARG A 100 7.620 8.156 -4.043 1.00 41.04 C ATOM 1493 CD ARG A 100 8.992 8.122 -3.392 1.00 34.21 C ATOM 1494 NE ARG A 100 9.792 9.294 -3.736 1.00 11.34 N ATOM 1495 CZ ARG A 100 10.833 9.335 -4.564 1.00 1.40 C ATOM 1496 NH1 ARG A 100 11.127 8.297 -5.343 1.00 42.13 N ATOM 1497 NH2 ARG A 100 11.547 10.442 -4.643 1.00 24.35 N ATOM 0 H ARG A 100 4.966 5.622 -2.572 1.00 75.02 H new ATOM 0 HA ARG A 100 6.879 5.447 -4.638 1.00 25.24 H new ATOM 0 HB2 ARG A 100 5.623 7.445 -3.767 1.00 60.02 H new ATOM 0 HB3 ARG A 100 6.609 7.395 -2.320 1.00 60.02 H new ATOM 0 HG2 ARG A 100 7.720 7.907 -5.099 1.00 41.04 H new ATOM 0 HG3 ARG A 100 7.225 9.171 -3.991 1.00 41.04 H new ATOM 0 HD2 ARG A 100 8.878 8.066 -2.309 1.00 34.21 H new ATOM 0 HD3 ARG A 100 9.519 7.220 -3.704 1.00 34.21 H new ATOM 0 HE ARG A 100 9.525 10.174 -3.295 1.00 11.34 H new ATOM 0 HH11 ARG A 100 10.551 7.456 -5.310 1.00 42.13 H new ATOM 0 HH12 ARG A 100 11.928 8.343 -5.973 1.00 42.13 H new ATOM 0 HH21 ARG A 100 11.298 11.251 -4.074 1.00 24.35 H new ATOM 0 HH22 ARG A 100 12.348 10.489 -5.273 1.00 24.35 H new ATOM 1511 N TRP A 101 8.243 5.380 -1.637 1.00 71.35 N ATOM 1512 CA TRP A 101 9.411 4.912 -0.896 1.00 1.55 C ATOM 1513 C TRP A 101 9.411 3.394 -0.685 1.00 31.21 C ATOM 1514 O TRP A 101 10.465 2.750 -0.700 1.00 1.52 O ATOM 1515 CB TRP A 101 9.576 5.671 0.438 1.00 54.10 C ATOM 1516 CG TRP A 101 8.328 5.769 1.287 1.00 14.45 C ATOM 1517 CD1 TRP A 101 7.448 6.804 1.299 1.00 31.04 C ATOM 1518 CD2 TRP A 101 7.830 4.816 2.251 1.00 3.25 C ATOM 1519 NE1 TRP A 101 6.447 6.570 2.199 1.00 45.54 N ATOM 1520 CE2 TRP A 101 6.656 5.360 2.796 1.00 24.43 C ATOM 1521 CE3 TRP A 101 8.258 3.565 2.706 1.00 5.30 C ATOM 1522 CZ2 TRP A 101 5.912 4.703 3.764 1.00 63.24 C ATOM 1523 CZ3 TRP A 101 7.514 2.918 3.663 1.00 64.21 C ATOM 1524 CH2 TRP A 101 6.355 3.488 4.186 1.00 62.21 C ATOM 0 H TRP A 101 7.581 5.921 -1.081 1.00 71.35 H new ATOM 0 HA TRP A 101 10.279 5.135 -1.516 1.00 1.55 H new ATOM 0 HB2 TRP A 101 10.355 5.180 1.022 1.00 54.10 H new ATOM 0 HB3 TRP A 101 9.928 6.680 0.222 1.00 54.10 H new ATOM 0 HD1 TRP A 101 7.528 7.688 0.683 1.00 31.04 H new ATOM 0 HE1 TRP A 101 5.668 7.199 2.394 1.00 45.54 H new ATOM 0 HE3 TRP A 101 9.157 3.115 2.312 1.00 5.30 H new ATOM 0 HZ2 TRP A 101 5.012 5.141 4.169 1.00 63.24 H new ATOM 0 HZ3 TRP A 101 7.834 1.949 4.017 1.00 64.21 H new ATOM 0 HH2 TRP A 101 5.797 2.955 4.941 1.00 62.21 H new ATOM 1535 N LEU A 102 8.227 2.843 -0.524 1.00 62.52 N ATOM 1536 CA LEU A 102 8.028 1.446 -0.182 1.00 44.53 C ATOM 1537 C LEU A 102 8.466 0.494 -1.291 1.00 71.15 C ATOM 1538 O LEU A 102 9.043 -0.559 -1.023 1.00 43.41 O ATOM 1539 CB LEU A 102 6.558 1.245 0.160 1.00 44.51 C ATOM 1540 CG LEU A 102 6.129 -0.079 0.755 1.00 23.45 C ATOM 1541 CD1 LEU A 102 6.996 -0.427 1.939 1.00 72.33 C ATOM 1542 CD2 LEU A 102 4.693 0.023 1.199 1.00 51.22 C ATOM 0 H LEU A 102 7.356 3.363 -0.629 1.00 62.52 H new ATOM 0 HA LEU A 102 8.657 1.206 0.675 1.00 44.53 H new ATOM 0 HB2 LEU A 102 6.270 2.031 0.858 1.00 44.51 H new ATOM 0 HB3 LEU A 102 5.981 1.401 -0.752 1.00 44.51 H new ATOM 0 HG LEU A 102 6.233 -0.860 0.002 1.00 23.45 H new ATOM 0 HD11 LEU A 102 6.676 -1.382 2.356 1.00 72.33 H new ATOM 0 HD12 LEU A 102 8.035 -0.501 1.619 1.00 72.33 H new ATOM 0 HD13 LEU A 102 6.904 0.350 2.698 1.00 72.33 H new ATOM 0 HD21 LEU A 102 4.377 -0.927 1.629 1.00 51.22 H new ATOM 0 HD22 LEU A 102 4.599 0.809 1.948 1.00 51.22 H new ATOM 0 HD23 LEU A 102 4.063 0.261 0.342 1.00 51.22 H new ATOM 1554 N PHE A 103 8.207 0.854 -2.520 1.00 31.14 N ATOM 1555 CA PHE A 103 8.557 -0.003 -3.638 1.00 33.13 C ATOM 1556 C PHE A 103 9.923 0.314 -4.210 1.00 61.33 C ATOM 1557 O PHE A 103 10.318 -0.250 -5.225 1.00 75.41 O ATOM 1558 CB PHE A 103 7.480 0.021 -4.721 1.00 62.32 C ATOM 1559 CG PHE A 103 6.240 -0.762 -4.365 1.00 31.01 C ATOM 1560 CD1 PHE A 103 5.296 -0.258 -3.483 1.00 12.24 C ATOM 1561 CD2 PHE A 103 6.017 -2.002 -4.934 1.00 70.30 C ATOM 1562 CE1 PHE A 103 4.158 -0.982 -3.184 1.00 33.32 C ATOM 1563 CE2 PHE A 103 4.884 -2.724 -4.632 1.00 52.32 C ATOM 1564 CZ PHE A 103 3.954 -2.212 -3.759 1.00 44.41 C ATOM 0 H PHE A 103 7.756 1.731 -2.779 1.00 31.14 H new ATOM 0 HA PHE A 103 8.612 -1.018 -3.244 1.00 33.13 H new ATOM 0 HB2 PHE A 103 7.200 1.056 -4.919 1.00 62.32 H new ATOM 0 HB3 PHE A 103 7.898 -0.379 -5.645 1.00 62.32 H new ATOM 0 HD1 PHE A 103 5.452 0.708 -3.026 1.00 12.24 H new ATOM 0 HD2 PHE A 103 6.741 -2.410 -5.624 1.00 70.30 H new ATOM 0 HE1 PHE A 103 3.428 -0.580 -2.497 1.00 33.32 H new ATOM 0 HE2 PHE A 103 4.726 -3.693 -5.081 1.00 52.32 H new ATOM 0 HZ PHE A 103 3.064 -2.777 -3.526 1.00 44.41 H new ATOM 1574 N THR A 104 10.653 1.176 -3.544 1.00 44.31 N ATOM 1575 CA THR A 104 11.982 1.509 -3.977 1.00 73.23 C ATOM 1576 C THR A 104 12.985 0.503 -3.383 1.00 15.44 C ATOM 1577 O THR A 104 13.082 0.380 -2.158 1.00 33.11 O ATOM 1578 CB THR A 104 12.370 2.943 -3.529 1.00 11.42 C ATOM 1579 OG1 THR A 104 11.441 3.901 -4.073 1.00 53.30 O ATOM 1580 CG2 THR A 104 13.777 3.302 -3.993 1.00 55.01 C ATOM 0 H THR A 104 10.346 1.658 -2.699 1.00 44.31 H new ATOM 0 HA THR A 104 12.008 1.465 -5.066 1.00 73.23 H new ATOM 0 HB THR A 104 12.338 2.970 -2.440 1.00 11.42 H new ATOM 0 HG1 THR A 104 10.572 3.800 -3.632 1.00 53.30 H new ATOM 0 HG21 THR A 104 14.022 4.312 -3.665 1.00 55.01 H new ATOM 0 HG22 THR A 104 14.492 2.599 -3.566 1.00 55.01 H new ATOM 0 HG23 THR A 104 13.825 3.252 -5.081 1.00 55.01 H new ATOM 1588 N PRO A 105 13.680 -0.287 -4.228 1.00 35.52 N ATOM 1589 CA PRO A 105 14.751 -1.149 -3.755 1.00 21.34 C ATOM 1590 C PRO A 105 15.900 -0.268 -3.285 1.00 41.24 C ATOM 1591 O PRO A 105 16.338 0.645 -4.017 1.00 44.14 O ATOM 1592 CB PRO A 105 15.160 -1.957 -5.001 1.00 3.12 C ATOM 1593 CG PRO A 105 14.058 -1.749 -5.986 1.00 1.25 C ATOM 1594 CD PRO A 105 13.484 -0.399 -5.681 1.00 62.23 C ATOM 0 HA PRO A 105 14.466 -1.798 -2.927 1.00 21.34 H new ATOM 0 HB2 PRO A 105 16.114 -1.610 -5.399 1.00 3.12 H new ATOM 0 HB3 PRO A 105 15.280 -3.014 -4.762 1.00 3.12 H new ATOM 0 HG2 PRO A 105 14.434 -1.792 -7.008 1.00 1.25 H new ATOM 0 HG3 PRO A 105 13.299 -2.526 -5.893 1.00 1.25 H new ATOM 0 HD2 PRO A 105 14.002 0.393 -6.222 1.00 62.23 H new ATOM 0 HD3 PRO A 105 12.431 -0.335 -5.954 1.00 62.23 H new ATOM 1602 N ASP A 106 16.378 -0.506 -2.105 1.00 12.33 N ATOM 1603 CA ASP A 106 17.401 0.336 -1.545 1.00 75.44 C ATOM 1604 C ASP A 106 18.678 -0.437 -1.342 1.00 52.05 C ATOM 1605 O ASP A 106 18.700 -1.409 -0.586 1.00 13.33 O ATOM 1606 CB ASP A 106 16.935 0.924 -0.228 1.00 41.42 C ATOM 1607 CG ASP A 106 17.909 1.903 0.356 1.00 3.02 C ATOM 1608 OD1 ASP A 106 17.920 3.070 -0.067 1.00 44.24 O ATOM 1609 OD2 ASP A 106 18.632 1.548 1.287 1.00 20.31 O ATOM 0 H ASP A 106 16.080 -1.276 -1.506 1.00 12.33 H new ATOM 0 HA ASP A 106 17.596 1.147 -2.246 1.00 75.44 H new ATOM 0 HB2 ASP A 106 15.976 1.420 -0.377 1.00 41.42 H new ATOM 0 HB3 ASP A 106 16.769 0.117 0.485 1.00 41.42 H new ATOM 1614 N PRO A 107 19.780 -0.012 -1.997 1.00 51.32 N ATOM 1615 CA PRO A 107 21.071 -0.704 -1.922 1.00 14.23 C ATOM 1616 C PRO A 107 21.623 -0.773 -0.503 1.00 21.24 C ATOM 1617 O PRO A 107 22.314 -1.721 -0.140 1.00 41.11 O ATOM 1618 CB PRO A 107 21.995 0.137 -2.812 1.00 42.23 C ATOM 1619 CG PRO A 107 21.331 1.464 -2.902 1.00 63.15 C ATOM 1620 CD PRO A 107 19.861 1.186 -2.864 1.00 42.11 C ATOM 0 HA PRO A 107 20.981 -1.742 -2.241 1.00 14.23 H new ATOM 0 HB2 PRO A 107 22.992 0.222 -2.379 1.00 42.23 H new ATOM 0 HB3 PRO A 107 22.113 -0.314 -3.797 1.00 42.23 H new ATOM 0 HG2 PRO A 107 21.629 2.108 -2.074 1.00 63.15 H new ATOM 0 HG3 PRO A 107 21.608 1.979 -3.822 1.00 63.15 H new ATOM 0 HD2 PRO A 107 19.301 2.024 -2.450 1.00 42.11 H new ATOM 0 HD3 PRO A 107 19.459 0.994 -3.859 1.00 42.11 H new ATOM 1628 N SER A 108 21.277 0.202 0.301 1.00 3.41 N ATOM 1629 CA SER A 108 21.769 0.287 1.645 1.00 55.30 C ATOM 1630 C SER A 108 20.860 -0.421 2.645 1.00 41.11 C ATOM 1631 O SER A 108 21.120 -0.428 3.851 1.00 11.00 O ATOM 1632 CB SER A 108 22.001 1.743 1.998 1.00 35.11 C ATOM 1633 OG SER A 108 20.990 2.570 1.431 1.00 4.11 O ATOM 0 H SER A 108 20.645 0.958 0.037 1.00 3.41 H new ATOM 0 HA SER A 108 22.720 -0.242 1.704 1.00 55.30 H new ATOM 0 HB2 SER A 108 22.009 1.862 3.081 1.00 35.11 H new ATOM 0 HB3 SER A 108 22.980 2.058 1.636 1.00 35.11 H new ATOM 0 HG SER A 108 20.113 2.290 1.766 1.00 4.11 H new ATOM 1639 N LEU A 109 19.813 -1.026 2.154 1.00 1.42 N ATOM 1640 CA LEU A 109 18.930 -1.757 2.995 1.00 74.33 C ATOM 1641 C LEU A 109 19.237 -3.223 2.825 1.00 63.11 C ATOM 1642 O LEU A 109 19.266 -3.742 1.704 1.00 10.32 O ATOM 1643 CB LEU A 109 17.483 -1.455 2.636 1.00 21.22 C ATOM 1644 CG LEU A 109 16.420 -2.015 3.570 1.00 74.22 C ATOM 1645 CD1 LEU A 109 16.527 -1.392 4.955 1.00 53.01 C ATOM 1646 CD2 LEU A 109 15.041 -1.802 2.991 1.00 44.14 C ATOM 0 H LEU A 109 19.557 -1.022 1.167 1.00 1.42 H new ATOM 0 HA LEU A 109 19.070 -1.469 4.037 1.00 74.33 H new ATOM 0 HB2 LEU A 109 17.362 -0.373 2.591 1.00 21.22 H new ATOM 0 HB3 LEU A 109 17.293 -1.839 1.634 1.00 21.22 H new ATOM 0 HG LEU A 109 16.588 -3.087 3.672 1.00 74.22 H new ATOM 0 HD11 LEU A 109 15.756 -1.810 5.602 1.00 53.01 H new ATOM 0 HD12 LEU A 109 17.509 -1.607 5.376 1.00 53.01 H new ATOM 0 HD13 LEU A 109 16.392 -0.313 4.880 1.00 53.01 H new ATOM 0 HD21 LEU A 109 14.294 -2.209 3.672 1.00 44.14 H new ATOM 0 HD22 LEU A 109 14.865 -0.735 2.854 1.00 44.14 H new ATOM 0 HD23 LEU A 109 14.968 -2.308 2.029 1.00 44.14 H new ATOM 1658 N THR A 110 19.504 -3.871 3.912 1.00 62.12 N ATOM 1659 CA THR A 110 19.878 -5.264 3.899 1.00 50.15 C ATOM 1660 C THR A 110 18.842 -6.034 4.680 1.00 34.11 C ATOM 1661 O THR A 110 18.675 -5.823 5.875 1.00 3.20 O ATOM 1662 CB THR A 110 21.273 -5.439 4.516 1.00 45.51 C ATOM 1663 OG1 THR A 110 22.159 -4.505 3.879 1.00 51.12 O ATOM 1664 CG2 THR A 110 21.800 -6.850 4.295 1.00 64.14 C ATOM 0 H THR A 110 19.471 -3.455 4.843 1.00 62.12 H new ATOM 0 HA THR A 110 19.919 -5.640 2.877 1.00 50.15 H new ATOM 0 HB THR A 110 21.214 -5.263 5.590 1.00 45.51 H new ATOM 0 HG1 THR A 110 23.058 -4.596 4.258 1.00 51.12 H new ATOM 0 HG21 THR A 110 22.789 -6.943 4.743 1.00 64.14 H new ATOM 0 HG22 THR A 110 21.123 -7.568 4.758 1.00 64.14 H new ATOM 0 HG23 THR A 110 21.866 -7.051 3.226 1.00 64.14 H new ATOM 1672 N ILE A 111 18.107 -6.867 3.994 1.00 74.21 N ATOM 1673 CA ILE A 111 16.990 -7.555 4.576 1.00 1.34 C ATOM 1674 C ILE A 111 17.073 -9.028 4.250 1.00 74.14 C ATOM 1675 O ILE A 111 17.593 -9.415 3.211 1.00 51.25 O ATOM 1676 CB ILE A 111 15.682 -6.999 3.939 1.00 42.44 C ATOM 1677 CG1 ILE A 111 15.581 -5.483 4.078 1.00 65.52 C ATOM 1678 CG2 ILE A 111 14.419 -7.676 4.451 1.00 21.42 C ATOM 1679 CD1 ILE A 111 15.470 -4.980 5.510 1.00 40.12 C ATOM 0 H ILE A 111 18.268 -7.088 3.011 1.00 74.21 H new ATOM 0 HA ILE A 111 16.997 -7.410 5.656 1.00 1.34 H new ATOM 0 HB ILE A 111 15.753 -7.242 2.879 1.00 42.44 H new ATOM 0 HG12 ILE A 111 16.458 -5.031 3.616 1.00 65.52 H new ATOM 0 HG13 ILE A 111 14.712 -5.138 3.518 1.00 65.52 H new ATOM 0 HG21 ILE A 111 13.548 -7.238 3.964 1.00 21.42 H new ATOM 0 HG22 ILE A 111 14.462 -8.742 4.228 1.00 21.42 H new ATOM 0 HG23 ILE A 111 14.341 -7.534 5.529 1.00 21.42 H new ATOM 0 HD11 ILE A 111 15.403 -3.892 5.509 1.00 40.12 H new ATOM 0 HD12 ILE A 111 14.577 -5.398 5.974 1.00 40.12 H new ATOM 0 HD13 ILE A 111 16.350 -5.289 6.073 1.00 40.12 H new ATOM 1805 N VAL A 120 19.979 -10.275 2.201 1.00 14.43 N ATOM 1806 CA VAL A 120 20.210 -9.789 0.881 1.00 43.32 C ATOM 1807 C VAL A 120 20.347 -8.276 0.941 1.00 43.44 C ATOM 1808 O VAL A 120 19.522 -7.592 1.571 1.00 34.42 O ATOM 1809 CB VAL A 120 19.021 -10.160 -0.059 1.00 71.44 C ATOM 1810 CG1 VAL A 120 19.277 -9.719 -1.492 1.00 13.25 C ATOM 1811 CG2 VAL A 120 18.727 -11.655 -0.005 1.00 41.43 C ATOM 0 HA VAL A 120 21.119 -10.243 0.485 1.00 43.32 H new ATOM 0 HB VAL A 120 18.145 -9.622 0.303 1.00 71.44 H new ATOM 0 HG11 VAL A 120 18.426 -9.995 -2.115 1.00 13.25 H new ATOM 0 HG12 VAL A 120 19.412 -8.638 -1.521 1.00 13.25 H new ATOM 0 HG13 VAL A 120 20.176 -10.207 -1.868 1.00 13.25 H new ATOM 0 HG21 VAL A 120 17.894 -11.886 -0.669 1.00 41.43 H new ATOM 0 HG22 VAL A 120 19.609 -12.211 -0.322 1.00 41.43 H new ATOM 0 HG23 VAL A 120 18.467 -11.938 1.015 1.00 41.43 H new ATOM 1821 N SER A 121 21.386 -7.769 0.358 1.00 1.35 N ATOM 1822 CA SER A 121 21.566 -6.352 0.260 1.00 5.30 C ATOM 1823 C SER A 121 20.765 -5.881 -0.932 1.00 22.41 C ATOM 1824 O SER A 121 20.719 -6.582 -1.948 1.00 3.43 O ATOM 1825 CB SER A 121 23.047 -6.024 0.084 1.00 64.15 C ATOM 1826 OG SER A 121 23.818 -6.575 1.147 1.00 60.23 O ATOM 0 H SER A 121 22.133 -8.322 -0.063 1.00 1.35 H new ATOM 0 HA SER A 121 21.226 -5.850 1.166 1.00 5.30 H new ATOM 0 HB2 SER A 121 23.400 -6.418 -0.869 1.00 64.15 H new ATOM 0 HB3 SER A 121 23.183 -4.943 0.053 1.00 64.15 H new ATOM 0 HG SER A 121 24.764 -6.355 1.014 1.00 60.23 H new ATOM 1832 N ASN A 122 20.098 -4.749 -0.780 1.00 31.22 N ATOM 1833 CA ASN A 122 19.242 -4.161 -1.805 1.00 42.54 C ATOM 1834 C ASN A 122 17.897 -4.869 -1.862 1.00 53.21 C ATOM 1835 O ASN A 122 17.614 -5.671 -2.774 1.00 21.14 O ATOM 1836 CB ASN A 122 19.894 -4.089 -3.207 1.00 11.45 C ATOM 1837 CG ASN A 122 18.987 -3.471 -4.253 1.00 5.14 C ATOM 1838 OD1 ASN A 122 18.227 -2.543 -3.983 1.00 14.02 O ATOM 1839 ND2 ASN A 122 19.030 -4.008 -5.445 1.00 72.53 N ATOM 0 H ASN A 122 20.135 -4.198 0.078 1.00 31.22 H new ATOM 0 HA ASN A 122 19.086 -3.126 -1.502 1.00 42.54 H new ATOM 0 HB2 ASN A 122 20.814 -3.508 -3.144 1.00 11.45 H new ATOM 0 HB3 ASN A 122 20.172 -5.094 -3.524 1.00 11.45 H new ATOM 0 HD21 ASN A 122 18.421 -3.658 -6.184 1.00 72.53 H new ATOM 0 HD22 ASN A 122 19.673 -4.777 -5.635 1.00 72.53 H new ATOM 1846 N ALA A 123 17.129 -4.678 -0.831 1.00 12.51 N ATOM 1847 CA ALA A 123 15.779 -5.155 -0.807 1.00 62.11 C ATOM 1848 C ALA A 123 14.854 -3.956 -0.739 1.00 32.12 C ATOM 1849 O ALA A 123 15.325 -2.811 -0.612 1.00 53.02 O ATOM 1850 CB ALA A 123 15.566 -6.077 0.380 1.00 65.52 C ATOM 0 H ALA A 123 17.420 -4.188 0.015 1.00 12.51 H new ATOM 0 HA ALA A 123 15.565 -5.730 -1.708 1.00 62.11 H new ATOM 0 HB1 ALA A 123 14.535 -6.432 0.385 1.00 65.52 H new ATOM 0 HB2 ALA A 123 16.242 -6.929 0.305 1.00 65.52 H new ATOM 0 HB3 ALA A 123 15.767 -5.534 1.303 1.00 65.52 H new ATOM 1856 N ARG A 124 13.574 -4.182 -0.848 1.00 54.02 N ATOM 1857 CA ARG A 124 12.624 -3.107 -0.739 1.00 61.12 C ATOM 1858 C ARG A 124 12.141 -3.107 0.698 1.00 34.40 C ATOM 1859 O ARG A 124 12.231 -4.141 1.371 1.00 2.41 O ATOM 1860 CB ARG A 124 11.405 -3.356 -1.650 1.00 5.40 C ATOM 1861 CG ARG A 124 11.727 -3.697 -3.093 1.00 75.40 C ATOM 1862 CD ARG A 124 10.449 -3.977 -3.874 1.00 70.24 C ATOM 1863 NE ARG A 124 10.711 -4.542 -5.206 1.00 61.32 N ATOM 1864 CZ ARG A 124 9.770 -5.051 -6.032 1.00 31.21 C ATOM 1865 NH1 ARG A 124 8.476 -4.933 -5.734 1.00 64.15 N ATOM 1866 NH2 ARG A 124 10.126 -5.647 -7.165 1.00 32.34 N ATOM 0 H ARG A 124 13.163 -5.101 -1.012 1.00 54.02 H new ATOM 0 HA ARG A 124 13.089 -2.165 -1.031 1.00 61.12 H new ATOM 0 HB2 ARG A 124 10.816 -4.169 -1.225 1.00 5.40 H new ATOM 0 HB3 ARG A 124 10.776 -2.466 -1.637 1.00 5.40 H new ATOM 0 HG2 ARG A 124 12.269 -2.872 -3.555 1.00 75.40 H new ATOM 0 HG3 ARG A 124 12.381 -4.568 -3.130 1.00 75.40 H new ATOM 0 HD2 ARG A 124 9.825 -4.668 -3.307 1.00 70.24 H new ATOM 0 HD3 ARG A 124 9.883 -3.052 -3.981 1.00 70.24 H new ATOM 0 HE ARG A 124 11.678 -4.550 -5.532 1.00 61.32 H new ATOM 0 HH11 ARG A 124 8.191 -4.456 -4.878 1.00 64.15 H new ATOM 0 HH12 ARG A 124 7.771 -5.319 -6.362 1.00 64.15 H new ATOM 0 HH21 ARG A 124 11.112 -5.722 -7.414 1.00 32.34 H new ATOM 0 HH22 ARG A 124 9.413 -6.030 -7.786 1.00 32.34 H new ATOM 1880 N PRO A 125 11.629 -1.982 1.223 1.00 64.22 N ATOM 1881 CA PRO A 125 11.022 -1.970 2.552 1.00 10.32 C ATOM 1882 C PRO A 125 9.797 -2.909 2.596 1.00 33.50 C ATOM 1883 O PRO A 125 9.386 -3.369 3.663 1.00 22.23 O ATOM 1884 CB PRO A 125 10.625 -0.509 2.779 1.00 42.31 C ATOM 1885 CG PRO A 125 11.425 0.269 1.791 1.00 0.52 C ATOM 1886 CD PRO A 125 11.662 -0.639 0.618 1.00 73.55 C ATOM 0 HA PRO A 125 11.697 -2.328 3.329 1.00 10.32 H new ATOM 0 HB2 PRO A 125 9.556 -0.362 2.624 1.00 42.31 H new ATOM 0 HB3 PRO A 125 10.845 -0.195 3.799 1.00 42.31 H new ATOM 0 HG2 PRO A 125 10.891 1.168 1.483 1.00 0.52 H new ATOM 0 HG3 PRO A 125 12.370 0.593 2.227 1.00 0.52 H new ATOM 0 HD2 PRO A 125 10.892 -0.521 -0.145 1.00 73.55 H new ATOM 0 HD3 PRO A 125 12.620 -0.436 0.138 1.00 73.55 H new ATOM 1894 N VAL A 126 9.256 -3.217 1.406 1.00 64.41 N ATOM 1895 CA VAL A 126 8.182 -4.195 1.261 1.00 13.43 C ATOM 1896 C VAL A 126 8.671 -5.552 1.758 1.00 33.31 C ATOM 1897 O VAL A 126 7.986 -6.230 2.518 1.00 12.14 O ATOM 1898 CB VAL A 126 7.752 -4.354 -0.231 1.00 43.23 C ATOM 1899 CG1 VAL A 126 6.747 -5.470 -0.383 1.00 71.23 C ATOM 1900 CG2 VAL A 126 7.160 -3.078 -0.766 1.00 13.00 C ATOM 0 H VAL A 126 9.553 -2.794 0.527 1.00 64.41 H new ATOM 0 HA VAL A 126 7.329 -3.844 1.841 1.00 13.43 H new ATOM 0 HB VAL A 126 8.648 -4.595 -0.803 1.00 43.23 H new ATOM 0 HG11 VAL A 126 6.462 -5.562 -1.431 1.00 71.23 H new ATOM 0 HG12 VAL A 126 7.189 -6.407 -0.043 1.00 71.23 H new ATOM 0 HG13 VAL A 126 5.863 -5.248 0.215 1.00 71.23 H new ATOM 0 HG21 VAL A 126 6.870 -3.220 -1.807 1.00 13.00 H new ATOM 0 HG22 VAL A 126 6.282 -2.810 -0.178 1.00 13.00 H new ATOM 0 HG23 VAL A 126 7.898 -2.279 -0.701 1.00 13.00 H new ATOM 1910 N ASP A 127 9.898 -5.897 1.378 1.00 40.40 N ATOM 1911 CA ASP A 127 10.506 -7.163 1.767 1.00 43.22 C ATOM 1912 C ASP A 127 10.688 -7.192 3.248 1.00 14.23 C ATOM 1913 O ASP A 127 10.457 -8.198 3.883 1.00 11.25 O ATOM 1914 CB ASP A 127 11.876 -7.368 1.107 1.00 11.31 C ATOM 1915 CG ASP A 127 11.826 -7.506 -0.390 1.00 34.25 C ATOM 1916 OD1 ASP A 127 11.642 -8.632 -0.892 1.00 13.42 O ATOM 1917 OD2 ASP A 127 12.011 -6.494 -1.103 1.00 31.32 O ATOM 0 H ASP A 127 10.495 -5.310 0.795 1.00 40.40 H new ATOM 0 HA ASP A 127 9.840 -7.961 1.438 1.00 43.22 H new ATOM 0 HB2 ASP A 127 12.519 -6.525 1.361 1.00 11.31 H new ATOM 0 HB3 ASP A 127 12.339 -8.261 1.527 1.00 11.31 H new ATOM 1922 N ALA A 128 11.074 -6.056 3.794 1.00 44.43 N ATOM 1923 CA ALA A 128 11.319 -5.915 5.211 1.00 5.41 C ATOM 1924 C ALA A 128 10.057 -6.148 6.035 1.00 12.42 C ATOM 1925 O ALA A 128 10.060 -6.962 6.944 1.00 14.14 O ATOM 1926 CB ALA A 128 11.920 -4.556 5.514 1.00 35.13 C ATOM 0 H ALA A 128 11.227 -5.200 3.261 1.00 44.43 H new ATOM 0 HA ALA A 128 12.035 -6.685 5.498 1.00 5.41 H new ATOM 0 HB1 ALA A 128 12.098 -4.468 6.586 1.00 35.13 H new ATOM 0 HB2 ALA A 128 12.864 -4.448 4.980 1.00 35.13 H new ATOM 0 HB3 ALA A 128 11.231 -3.774 5.195 1.00 35.13 H new ATOM 1932 N LEU A 129 8.973 -5.467 5.694 1.00 51.12 N ATOM 1933 CA LEU A 129 7.721 -5.590 6.454 1.00 50.41 C ATOM 1934 C LEU A 129 7.116 -6.980 6.316 1.00 14.30 C ATOM 1935 O LEU A 129 6.585 -7.542 7.281 1.00 13.45 O ATOM 1936 CB LEU A 129 6.732 -4.468 6.077 1.00 22.03 C ATOM 1937 CG LEU A 129 6.304 -4.380 4.608 1.00 24.22 C ATOM 1938 CD1 LEU A 129 5.155 -5.318 4.302 1.00 31.42 C ATOM 1939 CD2 LEU A 129 5.962 -2.964 4.225 1.00 51.11 C ATOM 0 H LEU A 129 8.927 -4.825 4.902 1.00 51.12 H new ATOM 0 HA LEU A 129 7.953 -5.463 7.512 1.00 50.41 H new ATOM 0 HB2 LEU A 129 5.835 -4.590 6.684 1.00 22.03 H new ATOM 0 HB3 LEU A 129 7.179 -3.514 6.357 1.00 22.03 H new ATOM 0 HG LEU A 129 7.154 -4.697 4.004 1.00 24.22 H new ATOM 0 HD11 LEU A 129 4.881 -5.226 3.251 1.00 31.42 H new ATOM 0 HD12 LEU A 129 5.458 -6.344 4.510 1.00 31.42 H new ATOM 0 HD13 LEU A 129 4.298 -5.059 4.925 1.00 31.42 H new ATOM 0 HD21 LEU A 129 5.662 -2.933 3.178 1.00 51.11 H new ATOM 0 HD22 LEU A 129 5.142 -2.606 4.848 1.00 51.11 H new ATOM 0 HD23 LEU A 129 6.834 -2.327 4.372 1.00 51.11 H new ATOM 1951 N HIS A 130 7.269 -7.550 5.138 1.00 34.22 N ATOM 1952 CA HIS A 130 6.762 -8.871 4.820 1.00 5.12 C ATOM 1953 C HIS A 130 7.590 -9.915 5.572 1.00 75.12 C ATOM 1954 O HIS A 130 7.126 -11.009 5.883 1.00 23.44 O ATOM 1955 CB HIS A 130 6.869 -9.067 3.295 1.00 4.52 C ATOM 1956 CG HIS A 130 6.247 -10.309 2.736 1.00 74.54 C ATOM 1957 ND1 HIS A 130 5.070 -10.319 2.025 1.00 62.12 N ATOM 1958 CD2 HIS A 130 6.699 -11.580 2.720 1.00 31.34 C ATOM 1959 CE1 HIS A 130 4.856 -11.559 1.602 1.00 3.42 C ATOM 1960 NE2 HIS A 130 5.815 -12.367 1.999 1.00 35.41 N ATOM 0 H HIS A 130 7.757 -7.102 4.362 1.00 34.22 H new ATOM 0 HA HIS A 130 5.721 -8.981 5.122 1.00 5.12 H new ATOM 0 HB2 HIS A 130 6.411 -8.207 2.807 1.00 4.52 H new ATOM 0 HB3 HIS A 130 7.925 -9.062 3.024 1.00 4.52 H new ATOM 0 HD2 HIS A 130 7.605 -11.929 3.193 1.00 31.34 H new ATOM 0 HE1 HIS A 130 4.006 -11.864 1.010 1.00 3.42 H new ATOM 0 HE2 HIS A 130 5.892 -13.367 1.814 1.00 35.41 H new ATOM 1968 N ALA A 131 8.806 -9.538 5.892 1.00 44.45 N ATOM 1969 CA ALA A 131 9.734 -10.419 6.591 1.00 73.42 C ATOM 1970 C ALA A 131 9.786 -10.132 8.087 1.00 3.11 C ATOM 1971 O ALA A 131 10.673 -10.629 8.782 1.00 61.41 O ATOM 1972 CB ALA A 131 11.112 -10.302 5.994 1.00 62.52 C ATOM 0 H ALA A 131 9.186 -8.616 5.679 1.00 44.45 H new ATOM 0 HA ALA A 131 9.368 -11.438 6.467 1.00 73.42 H new ATOM 0 HB1 ALA A 131 11.796 -10.965 6.525 1.00 62.52 H new ATOM 0 HB2 ALA A 131 11.078 -10.583 4.941 1.00 62.52 H new ATOM 0 HB3 ALA A 131 11.461 -9.273 6.083 1.00 62.52 H new ATOM 1978 N HIS A 132 8.842 -9.323 8.566 1.00 53.34 N ATOM 1979 CA HIS A 132 8.692 -8.978 9.997 1.00 71.33 C ATOM 1980 C HIS A 132 9.899 -8.134 10.493 1.00 4.11 C ATOM 1981 O HIS A 132 10.205 -8.060 11.678 1.00 52.44 O ATOM 1982 CB HIS A 132 8.515 -10.283 10.829 1.00 61.15 C ATOM 1983 CG HIS A 132 8.086 -10.100 12.256 1.00 21.34 C ATOM 1984 ND1 HIS A 132 8.919 -10.249 13.344 1.00 34.23 N ATOM 1985 CD2 HIS A 132 6.867 -9.831 12.757 1.00 64.23 C ATOM 1986 CE1 HIS A 132 8.193 -10.077 14.449 1.00 31.30 C ATOM 1987 NE2 HIS A 132 6.929 -9.816 14.150 1.00 52.04 N ATOM 0 H HIS A 132 8.145 -8.877 7.970 1.00 53.34 H new ATOM 0 HA HIS A 132 7.802 -8.363 10.130 1.00 71.33 H new ATOM 0 HB2 HIS A 132 7.781 -10.913 10.328 1.00 61.15 H new ATOM 0 HB3 HIS A 132 9.460 -10.826 10.821 1.00 61.15 H new ATOM 0 HD1 HIS A 132 9.917 -10.455 13.310 1.00 34.23 H new ATOM 0 HD2 HIS A 132 5.977 -9.654 12.171 1.00 64.23 H new ATOM 0 HE1 HIS A 132 8.583 -10.142 15.454 1.00 31.30 H new ATOM 1995 N GLN A 133 10.498 -7.414 9.580 1.00 13.43 N ATOM 1996 CA GLN A 133 11.609 -6.513 9.874 1.00 2.04 C ATOM 1997 C GLN A 133 11.102 -5.096 9.718 1.00 33.04 C ATOM 1998 O GLN A 133 11.859 -4.143 9.483 1.00 52.31 O ATOM 1999 CB GLN A 133 12.809 -6.761 8.964 1.00 23.21 C ATOM 2000 CG GLN A 133 13.241 -8.214 8.900 1.00 32.23 C ATOM 2001 CD GLN A 133 14.698 -8.388 8.539 1.00 73.22 C ATOM 2002 OE1 GLN A 133 15.277 -7.425 7.870 1.00 51.14 O flip ATOM 2003 NE2 GLN A 133 15.312 -9.376 8.912 1.00 12.42 N flip ATOM 0 H GLN A 133 10.233 -7.429 8.595 1.00 13.43 H new ATOM 0 HA GLN A 133 11.959 -6.690 10.891 1.00 2.04 H new ATOM 0 HB2 GLN A 133 12.566 -6.419 7.958 1.00 23.21 H new ATOM 0 HB3 GLN A 133 13.647 -6.158 9.312 1.00 23.21 H new ATOM 0 HG2 GLN A 133 13.054 -8.684 9.865 1.00 32.23 H new ATOM 0 HG3 GLN A 133 12.627 -8.737 8.167 1.00 32.23 H new ATOM 0 HE21 GLN A 133 14.830 -10.109 9.432 1.00 12.42 H new ATOM 0 HE22 GLN A 133 16.306 -9.467 8.703 1.00 12.42 H new ATOM 2012 N ALA A 134 9.796 -4.989 9.893 1.00 71.33 N ATOM 2013 CA ALA A 134 9.000 -3.791 9.713 1.00 14.41 C ATOM 2014 C ALA A 134 9.535 -2.594 10.486 1.00 71.41 C ATOM 2015 O ALA A 134 9.310 -1.469 10.082 1.00 1.04 O ATOM 2016 CB ALA A 134 7.560 -4.062 10.072 1.00 13.23 C ATOM 0 H ALA A 134 9.230 -5.787 10.182 1.00 71.33 H new ATOM 0 HA ALA A 134 9.065 -3.525 8.658 1.00 14.41 H new ATOM 0 HB1 ALA A 134 6.973 -3.154 9.932 1.00 13.23 H new ATOM 0 HB2 ALA A 134 7.167 -4.850 9.430 1.00 13.23 H new ATOM 0 HB3 ALA A 134 7.498 -4.378 11.113 1.00 13.23 H new ATOM 2022 N ARG A 135 10.246 -2.836 11.586 1.00 43.21 N ATOM 2023 CA ARG A 135 10.835 -1.750 12.393 1.00 75.14 C ATOM 2024 C ARG A 135 11.716 -0.840 11.515 1.00 10.43 C ATOM 2025 O ARG A 135 11.721 0.381 11.690 1.00 64.13 O ATOM 2026 CB ARG A 135 11.723 -2.320 13.505 1.00 2.33 C ATOM 2027 CG ARG A 135 11.045 -3.301 14.439 1.00 12.01 C ATOM 2028 CD ARG A 135 9.893 -2.675 15.201 1.00 52.52 C ATOM 2029 NE ARG A 135 9.291 -3.648 16.099 1.00 73.14 N ATOM 2030 CZ ARG A 135 8.381 -3.400 17.034 1.00 51.35 C ATOM 2031 NH1 ARG A 135 7.888 -2.179 17.189 1.00 72.21 N ATOM 2032 NH2 ARG A 135 7.962 -4.385 17.812 1.00 13.42 N ATOM 0 H ARG A 135 10.432 -3.772 11.945 1.00 43.21 H new ATOM 0 HA ARG A 135 10.010 -1.182 12.822 1.00 75.14 H new ATOM 0 HB2 ARG A 135 12.579 -2.814 13.046 1.00 2.33 H new ATOM 0 HB3 ARG A 135 12.113 -1.491 14.096 1.00 2.33 H new ATOM 0 HG2 ARG A 135 10.677 -4.151 13.864 1.00 12.01 H new ATOM 0 HG3 ARG A 135 11.777 -3.689 15.147 1.00 12.01 H new ATOM 0 HD2 ARG A 135 10.249 -1.817 15.771 1.00 52.52 H new ATOM 0 HD3 ARG A 135 9.144 -2.305 14.501 1.00 52.52 H new ATOM 0 HE ARG A 135 9.598 -4.616 16.001 1.00 73.14 H new ATOM 0 HH11 ARG A 135 8.207 -1.420 16.587 1.00 72.21 H new ATOM 0 HH12 ARG A 135 7.189 -1.999 17.910 1.00 72.21 H new ATOM 0 HH21 ARG A 135 8.338 -5.326 17.691 1.00 13.42 H new ATOM 0 HH22 ARG A 135 7.263 -4.204 18.533 1.00 13.42 H new ATOM 2046 N GLU A 136 12.412 -1.429 10.538 1.00 55.13 N ATOM 2047 CA GLU A 136 13.256 -0.646 9.640 1.00 64.34 C ATOM 2048 C GLU A 136 12.401 0.155 8.653 1.00 3.40 C ATOM 2049 O GLU A 136 12.776 1.242 8.205 1.00 34.14 O ATOM 2050 CB GLU A 136 14.274 -1.525 8.909 1.00 44.11 C ATOM 2051 CG GLU A 136 15.222 -2.241 9.852 1.00 14.23 C ATOM 2052 CD GLU A 136 16.396 -2.879 9.148 1.00 5.22 C ATOM 2053 OE1 GLU A 136 17.347 -2.146 8.794 1.00 62.01 O ATOM 2054 OE2 GLU A 136 16.413 -4.114 8.992 1.00 73.22 O ATOM 0 H GLU A 136 12.407 -2.432 10.353 1.00 55.13 H new ATOM 0 HA GLU A 136 13.822 0.060 10.248 1.00 64.34 H new ATOM 0 HB2 GLU A 136 13.743 -2.262 8.307 1.00 44.11 H new ATOM 0 HB3 GLU A 136 14.852 -0.908 8.221 1.00 44.11 H new ATOM 0 HG2 GLU A 136 15.593 -1.531 10.592 1.00 14.23 H new ATOM 0 HG3 GLU A 136 14.672 -3.009 10.395 1.00 14.23 H new ATOM 2061 N VAL A 137 11.238 -0.365 8.363 1.00 30.51 N ATOM 2062 CA VAL A 137 10.299 0.296 7.481 1.00 14.04 C ATOM 2063 C VAL A 137 9.692 1.477 8.216 1.00 44.32 C ATOM 2064 O VAL A 137 9.616 2.574 7.681 1.00 35.21 O ATOM 2065 CB VAL A 137 9.168 -0.665 7.035 1.00 43.30 C ATOM 2066 CG1 VAL A 137 8.232 -0.001 6.033 1.00 40.44 C ATOM 2067 CG2 VAL A 137 9.753 -1.928 6.459 1.00 31.21 C ATOM 0 H VAL A 137 10.910 -1.259 8.729 1.00 30.51 H new ATOM 0 HA VAL A 137 10.832 0.626 6.589 1.00 14.04 H new ATOM 0 HB VAL A 137 8.578 -0.920 7.916 1.00 43.30 H new ATOM 0 HG11 VAL A 137 7.452 -0.704 5.743 1.00 40.44 H new ATOM 0 HG12 VAL A 137 7.777 0.879 6.488 1.00 40.44 H new ATOM 0 HG13 VAL A 137 8.797 0.298 5.150 1.00 40.44 H new ATOM 0 HG21 VAL A 137 8.947 -2.594 6.150 1.00 31.21 H new ATOM 0 HG22 VAL A 137 10.372 -1.682 5.596 1.00 31.21 H new ATOM 0 HG23 VAL A 137 10.364 -2.423 7.214 1.00 31.21 H new ATOM 2077 N VAL A 138 9.307 1.238 9.465 1.00 54.02 N ATOM 2078 CA VAL A 138 8.708 2.260 10.310 1.00 14.31 C ATOM 2079 C VAL A 138 9.675 3.417 10.520 1.00 25.34 C ATOM 2080 O VAL A 138 9.288 4.570 10.399 1.00 13.43 O ATOM 2081 CB VAL A 138 8.256 1.701 11.692 1.00 14.15 C ATOM 2082 CG1 VAL A 138 7.602 2.794 12.540 1.00 53.23 C ATOM 2083 CG2 VAL A 138 7.296 0.533 11.520 1.00 33.32 C ATOM 0 H VAL A 138 9.402 0.329 9.919 1.00 54.02 H new ATOM 0 HA VAL A 138 7.819 2.614 9.788 1.00 14.31 H new ATOM 0 HB VAL A 138 9.147 1.346 12.210 1.00 14.15 H new ATOM 0 HG11 VAL A 138 7.296 2.376 13.499 1.00 53.23 H new ATOM 0 HG12 VAL A 138 8.316 3.601 12.707 1.00 53.23 H new ATOM 0 HG13 VAL A 138 6.728 3.185 12.019 1.00 53.23 H new ATOM 0 HG21 VAL A 138 6.996 0.161 12.500 1.00 33.32 H new ATOM 0 HG22 VAL A 138 6.414 0.865 10.972 1.00 33.32 H new ATOM 0 HG23 VAL A 138 7.789 -0.265 10.965 1.00 33.32 H new ATOM 2093 N ARG A 139 10.943 3.109 10.792 1.00 52.34 N ATOM 2094 CA ARG A 139 11.929 4.162 11.013 1.00 53.44 C ATOM 2095 C ARG A 139 12.092 5.031 9.755 1.00 53.35 C ATOM 2096 O ARG A 139 12.215 6.263 9.853 1.00 21.22 O ATOM 2097 CB ARG A 139 13.281 3.617 11.519 1.00 63.31 C ATOM 2098 CG ARG A 139 14.109 2.846 10.502 1.00 73.42 C ATOM 2099 CD ARG A 139 15.421 2.360 11.101 1.00 20.33 C ATOM 2100 NE ARG A 139 16.217 3.475 11.633 1.00 54.33 N ATOM 2101 CZ ARG A 139 17.381 3.364 12.299 1.00 25.24 C ATOM 2102 NH1 ARG A 139 18.020 2.190 12.364 1.00 21.43 N ATOM 2103 NH2 ARG A 139 17.915 4.439 12.868 1.00 62.32 N ATOM 0 H ARG A 139 11.305 2.158 10.863 1.00 52.34 H new ATOM 0 HA ARG A 139 11.547 4.797 11.812 1.00 53.44 H new ATOM 0 HB2 ARG A 139 13.876 4.455 11.882 1.00 63.31 H new ATOM 0 HB3 ARG A 139 13.092 2.966 12.373 1.00 63.31 H new ATOM 0 HG2 ARG A 139 13.537 1.993 10.138 1.00 73.42 H new ATOM 0 HG3 ARG A 139 14.315 3.483 9.642 1.00 73.42 H new ATOM 0 HD2 ARG A 139 15.215 1.646 11.898 1.00 20.33 H new ATOM 0 HD3 ARG A 139 15.996 1.832 10.340 1.00 20.33 H new ATOM 0 HE ARG A 139 15.855 4.417 11.484 1.00 54.33 H new ATOM 0 HH11 ARG A 139 17.625 1.368 11.906 1.00 21.43 H new ATOM 0 HH12 ARG A 139 18.902 2.117 12.871 1.00 21.43 H new ATOM 0 HH21 ARG A 139 17.443 5.341 12.798 1.00 62.32 H new ATOM 0 HH22 ARG A 139 18.797 4.363 13.375 1.00 62.32 H new ATOM 2117 N ARG A 140 12.059 4.393 8.574 1.00 43.42 N ATOM 2118 CA ARG A 140 12.113 5.123 7.313 1.00 44.30 C ATOM 2119 C ARG A 140 10.844 5.911 7.089 1.00 41.00 C ATOM 2120 O ARG A 140 10.879 7.024 6.592 1.00 2.24 O ATOM 2121 CB ARG A 140 12.361 4.204 6.136 1.00 2.14 C ATOM 2122 CG ARG A 140 13.753 3.645 6.096 1.00 51.15 C ATOM 2123 CD ARG A 140 13.960 2.835 4.855 1.00 74.45 C ATOM 2124 NE ARG A 140 15.341 2.381 4.735 1.00 24.30 N ATOM 2125 CZ ARG A 140 15.997 2.242 3.577 1.00 5.22 C ATOM 2126 NH1 ARG A 140 15.365 2.454 2.412 1.00 25.21 N ATOM 2127 NH2 ARG A 140 17.276 1.875 3.584 1.00 4.31 N ATOM 0 H ARG A 140 11.996 3.380 8.474 1.00 43.42 H new ATOM 0 HA ARG A 140 12.953 5.813 7.385 1.00 44.30 H new ATOM 0 HB2 ARG A 140 11.648 3.380 6.172 1.00 2.14 H new ATOM 0 HB3 ARG A 140 12.171 4.750 5.212 1.00 2.14 H new ATOM 0 HG2 ARG A 140 14.478 4.458 6.131 1.00 51.15 H new ATOM 0 HG3 ARG A 140 13.927 3.024 6.975 1.00 51.15 H new ATOM 0 HD2 ARG A 140 13.293 1.973 4.867 1.00 74.45 H new ATOM 0 HD3 ARG A 140 13.695 3.431 3.982 1.00 74.45 H new ATOM 0 HE ARG A 140 15.842 2.154 5.594 1.00 24.30 H new ATOM 0 HH11 ARG A 140 14.381 2.722 2.407 1.00 25.21 H new ATOM 0 HH12 ARG A 140 15.869 2.347 1.532 1.00 25.21 H new ATOM 0 HH21 ARG A 140 17.752 1.701 4.469 1.00 4.31 H new ATOM 0 HH22 ARG A 140 17.781 1.768 2.704 1.00 4.31 H new ATOM 2141 N ALA A 141 9.729 5.322 7.473 1.00 34.41 N ATOM 2142 CA ALA A 141 8.422 5.946 7.373 1.00 13.11 C ATOM 2143 C ALA A 141 8.395 7.243 8.169 1.00 0.34 C ATOM 2144 O ALA A 141 7.894 8.260 7.695 1.00 62.52 O ATOM 2145 CB ALA A 141 7.363 4.986 7.884 1.00 44.22 C ATOM 0 H ALA A 141 9.704 4.382 7.869 1.00 34.41 H new ATOM 0 HA ALA A 141 8.214 6.182 6.329 1.00 13.11 H new ATOM 0 HB1 ALA A 141 6.381 5.454 7.809 1.00 44.22 H new ATOM 0 HB2 ALA A 141 7.378 4.076 7.285 1.00 44.22 H new ATOM 0 HB3 ALA A 141 7.569 4.738 8.925 1.00 44.22 H new ATOM 2151 N GLN A 142 8.965 7.199 9.366 1.00 43.15 N ATOM 2152 CA GLN A 142 9.068 8.363 10.236 1.00 62.53 C ATOM 2153 C GLN A 142 9.925 9.432 9.581 1.00 25.20 C ATOM 2154 O GLN A 142 9.551 10.596 9.543 1.00 5.02 O ATOM 2155 CB GLN A 142 9.686 7.972 11.568 1.00 73.54 C ATOM 2156 CG GLN A 142 8.911 6.920 12.330 1.00 15.05 C ATOM 2157 CD GLN A 142 9.666 6.425 13.535 1.00 24.24 C ATOM 2158 OE1 GLN A 142 10.907 6.425 13.553 1.00 44.41 O ATOM 2159 NE2 GLN A 142 8.953 5.978 14.532 1.00 72.02 N ATOM 0 H GLN A 142 9.371 6.351 9.762 1.00 43.15 H new ATOM 0 HA GLN A 142 8.065 8.755 10.405 1.00 62.53 H new ATOM 0 HB2 GLN A 142 10.697 7.605 11.392 1.00 73.54 H new ATOM 0 HB3 GLN A 142 9.774 8.863 12.190 1.00 73.54 H new ATOM 0 HG2 GLN A 142 7.954 7.334 12.647 1.00 15.05 H new ATOM 0 HG3 GLN A 142 8.693 6.081 11.669 1.00 15.05 H new ATOM 0 HE21 GLN A 142 7.935 5.995 14.479 1.00 72.02 H new ATOM 0 HE22 GLN A 142 9.414 5.611 15.365 1.00 72.02 H new ATOM 2168 N ALA A 143 11.055 9.005 9.031 1.00 11.51 N ATOM 2169 CA ALA A 143 12.002 9.901 8.375 1.00 13.44 C ATOM 2170 C ALA A 143 11.384 10.545 7.144 1.00 23.01 C ATOM 2171 O ALA A 143 11.582 11.725 6.878 1.00 13.43 O ATOM 2172 CB ALA A 143 13.261 9.140 7.987 1.00 42.11 C ATOM 0 H ALA A 143 11.342 8.026 9.027 1.00 11.51 H new ATOM 0 HA ALA A 143 12.263 10.691 9.079 1.00 13.44 H new ATOM 0 HB1 ALA A 143 13.960 9.819 7.498 1.00 42.11 H new ATOM 0 HB2 ALA A 143 13.724 8.723 8.881 1.00 42.11 H new ATOM 0 HB3 ALA A 143 13.001 8.332 7.303 1.00 42.11 H new ATOM 2178 N MET A 144 10.627 9.761 6.408 1.00 1.50 N ATOM 2179 CA MET A 144 9.977 10.209 5.193 1.00 72.53 C ATOM 2180 C MET A 144 8.845 11.185 5.505 1.00 55.42 C ATOM 2181 O MET A 144 8.564 12.105 4.731 1.00 4.34 O ATOM 2182 CB MET A 144 9.425 9.004 4.426 1.00 74.24 C ATOM 2183 CG MET A 144 8.808 9.358 3.092 1.00 40.31 C ATOM 2184 SD MET A 144 10.013 10.059 1.954 1.00 64.11 S ATOM 2185 CE MET A 144 8.969 10.439 0.556 1.00 1.32 C ATOM 0 H MET A 144 10.443 8.784 6.637 1.00 1.50 H new ATOM 0 HA MET A 144 10.716 10.726 4.580 1.00 72.53 H new ATOM 0 HB2 MET A 144 10.231 8.288 4.264 1.00 74.24 H new ATOM 0 HB3 MET A 144 8.676 8.506 5.041 1.00 74.24 H new ATOM 0 HG2 MET A 144 8.368 8.465 2.648 1.00 40.31 H new ATOM 0 HG3 MET A 144 7.998 10.071 3.245 1.00 40.31 H new ATOM 0 HE1 MET A 144 9.556 10.947 -0.209 1.00 1.32 H new ATOM 0 HE2 MET A 144 8.559 9.516 0.146 1.00 1.32 H new ATOM 0 HE3 MET A 144 8.153 11.087 0.877 1.00 1.32 H new ATOM 2195 N ALA A 145 8.203 10.980 6.628 1.00 70.41 N ATOM 2196 CA ALA A 145 7.098 11.811 7.024 1.00 20.24 C ATOM 2197 C ALA A 145 7.572 13.101 7.657 1.00 5.13 C ATOM 2198 O ALA A 145 7.210 14.184 7.204 1.00 10.15 O ATOM 2199 CB ALA A 145 6.165 11.069 7.961 1.00 32.21 C ATOM 0 H ALA A 145 8.431 10.237 7.288 1.00 70.41 H new ATOM 0 HA ALA A 145 6.544 12.066 6.120 1.00 20.24 H new ATOM 0 HB1 ALA A 145 5.339 11.721 8.244 1.00 32.21 H new ATOM 0 HB2 ALA A 145 5.773 10.184 7.459 1.00 32.21 H new ATOM 0 HB3 ALA A 145 6.711 10.767 8.855 1.00 32.21 H new ATOM 2205 N TYR A 146 8.394 12.987 8.670 1.00 30.14 N ATOM 2206 CA TYR A 146 8.840 14.139 9.405 1.00 64.05 C ATOM 2207 C TYR A 146 10.192 14.581 8.866 1.00 11.03 C ATOM 2208 O TYR A 146 10.220 15.374 7.912 1.00 37.28 O ATOM 2209 CB TYR A 146 8.934 13.820 10.913 1.00 50.24 C ATOM 2210 CG TYR A 146 7.674 13.204 11.509 1.00 75.02 C ATOM 2211 CD1 TYR A 146 6.558 13.977 11.801 1.00 24.52 C ATOM 2212 CD2 TYR A 146 7.614 11.843 11.786 1.00 34.04 C ATOM 2213 CE1 TYR A 146 5.418 13.407 12.347 1.00 43.42 C ATOM 2214 CE2 TYR A 146 6.485 11.270 12.329 1.00 60.44 C ATOM 2215 CZ TYR A 146 5.390 12.050 12.609 1.00 15.41 C ATOM 2216 OH TYR A 146 4.252 11.467 13.159 1.00 61.11 O ATOM 2217 OXT TYR A 146 11.236 14.125 9.379 1.00 37.28 O ATOM 0 H TYR A 146 8.769 12.100 9.005 1.00 30.14 H new ATOM 0 HA TYR A 146 8.120 14.947 9.280 1.00 64.05 H new ATOM 0 HB2 TYR A 146 9.768 13.138 11.076 1.00 50.24 H new ATOM 0 HB3 TYR A 146 9.164 14.739 11.452 1.00 50.24 H new ATOM 0 HD1 TYR A 146 6.578 15.038 11.600 1.00 24.52 H new ATOM 0 HD2 TYR A 146 8.471 11.222 11.571 1.00 34.04 H new ATOM 0 HE1 TYR A 146 4.556 14.020 12.566 1.00 43.42 H new ATOM 0 HE2 TYR A 146 6.461 10.210 12.534 1.00 60.44 H new ATOM 0 HH TYR A 146 3.453 11.905 12.798 1.00 61.11 H new