USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=20 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 Single : A 29 THR OG1 : rot 150:sc= 0.0132 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0711 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.998 K(o=1,f=-3!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.191 F(o=-2!,f=-0.19) USER MOD Single : A 72 THR OG1 : rot -71:sc= 1.06 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot -40:sc= 0.11 USER MOD Single : A 76 GLN : amide:sc= -0.915 K(o=-0.91,f=-9.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -116:sc= 1.27 USER MOD Single : A 96 THR OG1 : rot 56:sc= 0.758 USER MOD Single : A 99 MET CE :methyl -155:sc= -4.52! (180deg=-5.29!) USER MOD Single : A 104 THR OG1 : rot 80:sc= 1.5 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -92:sc= 0.101 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.22 F(o=-2,f=-0.22) USER MOD Single : A 130 HIS : no HE2:sc= 0.351 K(o=0.35,f=-4.3!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -0.0489 K(o=-0.049,f=-4.3!) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 144 MET CE :methyl -107:sc= -0.106 (180deg=-1.58) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.228 6.005 -3.581 1.00 41.11 N ATOM 240 CA ALA A 18 -6.335 5.152 -4.319 1.00 22.22 C ATOM 241 C ALA A 18 -5.808 5.978 -5.470 1.00 40.43 C ATOM 242 O ALA A 18 -6.588 6.694 -6.134 1.00 12.22 O ATOM 243 CB ALA A 18 -7.072 3.930 -4.850 1.00 64.20 C ATOM 0 HA ALA A 18 -5.528 4.792 -3.681 1.00 22.22 H new ATOM 0 HB1 ALA A 18 -6.378 3.299 -5.405 1.00 64.20 H new ATOM 0 HB2 ALA A 18 -7.488 3.365 -4.016 1.00 64.20 H new ATOM 0 HB3 ALA A 18 -7.878 4.250 -5.510 1.00 64.20 H new ATOM 249 N GLY A 19 -4.539 5.946 -5.681 1.00 12.04 N ATOM 250 CA GLY A 19 -3.949 6.732 -6.713 1.00 72.15 C ATOM 251 C GLY A 19 -3.388 5.894 -7.818 1.00 71.23 C ATOM 252 O GLY A 19 -4.133 5.310 -8.610 1.00 15.53 O ATOM 0 H GLY A 19 -3.881 5.378 -5.147 1.00 12.04 H new ATOM 0 HA2 GLY A 19 -4.697 7.412 -7.120 1.00 72.15 H new ATOM 0 HA3 GLY A 19 -3.156 7.347 -6.289 1.00 72.15 H new ATOM 256 N ASP A 20 -2.095 5.801 -7.865 1.00 72.51 N ATOM 257 CA ASP A 20 -1.428 5.093 -8.934 1.00 3.12 C ATOM 258 C ASP A 20 -0.531 4.023 -8.376 1.00 53.03 C ATOM 259 O ASP A 20 0.382 4.305 -7.583 1.00 41.25 O ATOM 260 CB ASP A 20 -0.637 6.061 -9.821 1.00 75.21 C ATOM 261 CG ASP A 20 0.071 5.371 -10.972 1.00 53.14 C ATOM 262 OD1 ASP A 20 -0.602 4.931 -11.922 1.00 21.21 O ATOM 263 OD2 ASP A 20 1.319 5.272 -10.952 1.00 72.52 O ATOM 0 H ASP A 20 -1.468 6.208 -7.172 1.00 72.51 H new ATOM 0 HA ASP A 20 -2.187 4.615 -9.554 1.00 3.12 H new ATOM 0 HB2 ASP A 20 -1.315 6.816 -10.220 1.00 75.21 H new ATOM 0 HB3 ASP A 20 0.099 6.584 -9.211 1.00 75.21 H new ATOM 268 N ASP A 21 -0.797 2.812 -8.785 1.00 70.41 N ATOM 269 CA ASP A 21 -0.077 1.630 -8.353 1.00 75.33 C ATOM 270 C ASP A 21 1.406 1.720 -8.746 1.00 62.23 C ATOM 271 O ASP A 21 1.745 1.841 -9.907 1.00 14.52 O ATOM 272 CB ASP A 21 -0.732 0.365 -8.957 1.00 72.34 C ATOM 273 CG ASP A 21 -0.763 0.349 -10.478 1.00 0.41 C ATOM 274 OD1 ASP A 21 -1.347 1.267 -11.092 1.00 71.00 O ATOM 275 OD2 ASP A 21 -0.247 -0.605 -11.086 1.00 43.43 O ATOM 0 H ASP A 21 -1.543 2.607 -9.449 1.00 70.41 H new ATOM 0 HA ASP A 21 -0.129 1.565 -7.266 1.00 75.33 H new ATOM 0 HB2 ASP A 21 -0.192 -0.514 -8.606 1.00 72.34 H new ATOM 0 HB3 ASP A 21 -1.752 0.283 -8.582 1.00 72.34 H new ATOM 280 N VAL A 22 2.283 1.697 -7.756 1.00 23.22 N ATOM 281 CA VAL A 22 3.733 1.823 -8.000 1.00 0.41 C ATOM 282 C VAL A 22 4.324 0.509 -8.527 1.00 40.35 C ATOM 283 O VAL A 22 5.346 0.495 -9.230 1.00 3.41 O ATOM 284 CB VAL A 22 4.491 2.323 -6.722 1.00 43.51 C ATOM 285 CG1 VAL A 22 6.007 2.358 -6.924 1.00 53.43 C ATOM 286 CG2 VAL A 22 4.004 3.710 -6.340 1.00 21.54 C ATOM 0 H VAL A 22 2.029 1.593 -6.774 1.00 23.22 H new ATOM 0 HA VAL A 22 3.871 2.579 -8.773 1.00 0.41 H new ATOM 0 HB VAL A 22 4.276 1.614 -5.923 1.00 43.51 H new ATOM 0 HG11 VAL A 22 6.488 2.711 -6.012 1.00 53.43 H new ATOM 0 HG12 VAL A 22 6.366 1.356 -7.159 1.00 53.43 H new ATOM 0 HG13 VAL A 22 6.249 3.032 -7.746 1.00 53.43 H new ATOM 0 HG21 VAL A 22 4.535 4.050 -5.451 1.00 21.54 H new ATOM 0 HG22 VAL A 22 4.192 4.401 -7.162 1.00 21.54 H new ATOM 0 HG23 VAL A 22 2.935 3.676 -6.132 1.00 21.54 H new ATOM 296 N LEU A 23 3.683 -0.587 -8.212 1.00 52.03 N ATOM 297 CA LEU A 23 4.141 -1.842 -8.727 1.00 43.30 C ATOM 298 C LEU A 23 3.636 -2.094 -10.134 1.00 11.02 C ATOM 299 O LEU A 23 2.551 -1.646 -10.512 1.00 2.31 O ATOM 300 CB LEU A 23 3.925 -3.036 -7.771 1.00 10.32 C ATOM 301 CG LEU A 23 2.585 -3.175 -7.021 1.00 43.05 C ATOM 302 CD1 LEU A 23 1.393 -3.203 -7.955 1.00 3.34 C ATOM 303 CD2 LEU A 23 2.620 -4.442 -6.203 1.00 54.01 C ATOM 0 H LEU A 23 2.859 -0.633 -7.613 1.00 52.03 H new ATOM 0 HA LEU A 23 5.225 -1.756 -8.796 1.00 43.30 H new ATOM 0 HB2 LEU A 23 4.072 -3.948 -8.349 1.00 10.32 H new ATOM 0 HB3 LEU A 23 4.716 -3.002 -7.022 1.00 10.32 H new ATOM 0 HG LEU A 23 2.465 -2.300 -6.382 1.00 43.05 H new ATOM 0 HD11 LEU A 23 0.477 -3.302 -7.373 1.00 3.34 H new ATOM 0 HD12 LEU A 23 1.359 -2.277 -8.530 1.00 3.34 H new ATOM 0 HD13 LEU A 23 1.484 -4.050 -8.636 1.00 3.34 H new ATOM 0 HD21 LEU A 23 1.678 -4.555 -5.666 1.00 54.01 H new ATOM 0 HD22 LEU A 23 2.766 -5.297 -6.863 1.00 54.01 H new ATOM 0 HD23 LEU A 23 3.441 -4.391 -5.488 1.00 54.01 H new ATOM 315 N ASP A 24 4.436 -2.791 -10.889 1.00 60.00 N ATOM 316 CA ASP A 24 4.168 -3.080 -12.292 1.00 25.20 C ATOM 317 C ASP A 24 2.927 -3.974 -12.437 1.00 60.24 C ATOM 318 O ASP A 24 2.659 -4.801 -11.559 1.00 40.34 O ATOM 319 CB ASP A 24 5.399 -3.773 -12.886 1.00 24.40 C ATOM 320 CG ASP A 24 5.298 -4.003 -14.365 1.00 41.41 C ATOM 321 OD1 ASP A 24 4.803 -5.068 -14.787 1.00 43.32 O ATOM 322 OD2 ASP A 24 5.728 -3.128 -15.131 1.00 41.24 O ATOM 0 H ASP A 24 5.313 -3.188 -10.552 1.00 60.00 H new ATOM 0 HA ASP A 24 3.969 -2.151 -12.826 1.00 25.20 H new ATOM 0 HB2 ASP A 24 6.282 -3.168 -12.679 1.00 24.40 H new ATOM 0 HB3 ASP A 24 5.544 -4.731 -12.386 1.00 24.40 H new ATOM 327 N PRO A 25 2.116 -3.789 -13.511 1.00 55.44 N ATOM 328 CA PRO A 25 0.924 -4.625 -13.785 1.00 21.25 C ATOM 329 C PRO A 25 1.207 -6.141 -13.790 1.00 22.04 C ATOM 330 O PRO A 25 0.311 -6.942 -13.482 1.00 62.03 O ATOM 331 CB PRO A 25 0.477 -4.174 -15.174 1.00 55.10 C ATOM 332 CG PRO A 25 0.964 -2.778 -15.297 1.00 60.43 C ATOM 333 CD PRO A 25 2.245 -2.700 -14.511 1.00 3.20 C ATOM 0 HA PRO A 25 0.177 -4.492 -13.003 1.00 21.25 H new ATOM 0 HB2 PRO A 25 0.900 -4.810 -15.951 1.00 55.10 H new ATOM 0 HB3 PRO A 25 -0.607 -4.225 -15.276 1.00 55.10 H new ATOM 0 HG2 PRO A 25 1.134 -2.517 -16.342 1.00 60.43 H new ATOM 0 HG3 PRO A 25 0.227 -2.075 -14.909 1.00 60.43 H new ATOM 0 HD2 PRO A 25 3.116 -2.846 -15.150 1.00 3.20 H new ATOM 0 HD3 PRO A 25 2.361 -1.728 -14.031 1.00 3.20 H new ATOM 341 N ASP A 26 2.444 -6.525 -14.109 1.00 60.40 N ATOM 342 CA ASP A 26 2.827 -7.942 -14.171 1.00 73.02 C ATOM 343 C ASP A 26 2.980 -8.544 -12.786 1.00 12.30 C ATOM 344 O ASP A 26 2.846 -9.762 -12.611 1.00 32.31 O ATOM 345 CB ASP A 26 4.117 -8.136 -14.977 1.00 23.42 C ATOM 346 CG ASP A 26 4.579 -9.578 -15.024 1.00 2.44 C ATOM 347 OD1 ASP A 26 3.877 -10.427 -15.618 1.00 52.52 O ATOM 348 OD2 ASP A 26 5.654 -9.897 -14.470 1.00 14.35 O ATOM 0 H ASP A 26 3.200 -5.877 -14.329 1.00 60.40 H new ATOM 0 HA ASP A 26 2.018 -8.466 -14.680 1.00 73.02 H new ATOM 0 HB2 ASP A 26 3.960 -7.778 -15.994 1.00 23.42 H new ATOM 0 HB3 ASP A 26 4.906 -7.522 -14.542 1.00 23.42 H new ATOM 353 N GLU A 27 3.231 -7.700 -11.800 1.00 64.11 N ATOM 354 CA GLU A 27 3.374 -8.155 -10.437 1.00 11.01 C ATOM 355 C GLU A 27 2.044 -8.719 -9.964 1.00 60.41 C ATOM 356 O GLU A 27 1.008 -8.055 -10.122 1.00 40.21 O ATOM 357 CB GLU A 27 3.814 -7.007 -9.524 1.00 70.30 C ATOM 358 CG GLU A 27 5.188 -6.438 -9.848 1.00 34.34 C ATOM 359 CD GLU A 27 6.291 -7.458 -9.711 1.00 65.11 C ATOM 360 OE1 GLU A 27 6.616 -7.858 -8.567 1.00 43.12 O ATOM 361 OE2 GLU A 27 6.878 -7.860 -10.730 1.00 2.32 O ATOM 0 H GLU A 27 3.339 -6.693 -11.924 1.00 64.11 H new ATOM 0 HA GLU A 27 4.140 -8.929 -10.396 1.00 11.01 H new ATOM 0 HB2 GLU A 27 3.078 -6.206 -9.588 1.00 70.30 H new ATOM 0 HB3 GLU A 27 3.814 -7.359 -8.492 1.00 70.30 H new ATOM 0 HG2 GLU A 27 5.184 -6.049 -10.866 1.00 34.34 H new ATOM 0 HG3 GLU A 27 5.393 -5.597 -9.186 1.00 34.34 H new ATOM 368 N PRO A 28 2.036 -9.971 -9.448 1.00 61.51 N ATOM 369 CA PRO A 28 0.821 -10.619 -8.956 1.00 11.13 C ATOM 370 C PRO A 28 0.149 -9.789 -7.877 1.00 20.40 C ATOM 371 O PRO A 28 0.659 -9.660 -6.758 1.00 64.34 O ATOM 372 CB PRO A 28 1.318 -11.950 -8.375 1.00 72.23 C ATOM 373 CG PRO A 28 2.612 -12.202 -9.061 1.00 63.20 C ATOM 374 CD PRO A 28 3.215 -10.851 -9.314 1.00 34.14 C ATOM 0 HA PRO A 28 0.077 -10.747 -9.742 1.00 11.13 H new ATOM 0 HB2 PRO A 28 1.448 -11.886 -7.295 1.00 72.23 H new ATOM 0 HB3 PRO A 28 0.607 -12.754 -8.563 1.00 72.23 H new ATOM 0 HG2 PRO A 28 3.269 -12.813 -8.442 1.00 63.20 H new ATOM 0 HG3 PRO A 28 2.460 -12.743 -9.995 1.00 63.20 H new ATOM 0 HD2 PRO A 28 3.859 -10.538 -8.492 1.00 34.14 H new ATOM 0 HD3 PRO A 28 3.825 -10.846 -10.217 1.00 34.14 H new ATOM 382 N THR A 29 -0.935 -9.181 -8.228 1.00 35.13 N ATOM 383 CA THR A 29 -1.660 -8.365 -7.332 1.00 41.31 C ATOM 384 C THR A 29 -2.933 -9.048 -6.894 1.00 73.11 C ATOM 385 O THR A 29 -3.295 -10.113 -7.403 1.00 73.21 O ATOM 386 CB THR A 29 -1.962 -7.005 -7.986 1.00 40.54 C ATOM 387 OG1 THR A 29 -2.341 -7.206 -9.364 1.00 51.22 O ATOM 388 CG2 THR A 29 -0.750 -6.097 -7.914 1.00 23.53 C ATOM 0 H THR A 29 -1.342 -9.243 -9.161 1.00 35.13 H new ATOM 0 HA THR A 29 -1.052 -8.196 -6.443 1.00 41.31 H new ATOM 0 HB THR A 29 -2.782 -6.531 -7.447 1.00 40.54 H new ATOM 0 HG1 THR A 29 -2.963 -6.500 -9.639 1.00 51.22 H new ATOM 0 HG21 THR A 29 -0.984 -5.141 -8.382 1.00 23.53 H new ATOM 0 HG22 THR A 29 -0.479 -5.934 -6.871 1.00 23.53 H new ATOM 0 HG23 THR A 29 0.085 -6.562 -8.438 1.00 23.53 H new ATOM 396 N TYR A 30 -3.587 -8.461 -5.958 1.00 62.31 N ATOM 397 CA TYR A 30 -4.824 -8.934 -5.477 1.00 1.10 C ATOM 398 C TYR A 30 -5.884 -8.003 -5.910 1.00 41.12 C ATOM 399 O TYR A 30 -5.609 -6.858 -6.240 1.00 35.13 O ATOM 400 CB TYR A 30 -4.853 -9.146 -3.965 1.00 41.20 C ATOM 401 CG TYR A 30 -4.178 -10.413 -3.499 1.00 34.43 C ATOM 402 CD1 TYR A 30 -4.499 -11.637 -4.073 1.00 41.03 C ATOM 403 CD2 TYR A 30 -3.262 -10.399 -2.465 1.00 34.43 C ATOM 404 CE1 TYR A 30 -3.928 -12.809 -3.636 1.00 73.14 C ATOM 405 CE2 TYR A 30 -2.675 -11.571 -2.019 1.00 22.32 C ATOM 406 CZ TYR A 30 -3.015 -12.775 -2.612 1.00 24.04 C ATOM 407 OH TYR A 30 -2.448 -13.955 -2.164 1.00 5.14 O ATOM 0 H TYR A 30 -3.262 -7.612 -5.495 1.00 62.31 H new ATOM 0 HA TYR A 30 -4.992 -9.924 -5.902 1.00 1.10 H new ATOM 0 HB2 TYR A 30 -4.373 -8.295 -3.482 1.00 41.20 H new ATOM 0 HB3 TYR A 30 -5.891 -9.158 -3.632 1.00 41.20 H new ATOM 0 HD1 TYR A 30 -5.214 -11.669 -4.882 1.00 41.03 H new ATOM 0 HD2 TYR A 30 -3.000 -9.461 -1.998 1.00 34.43 H new ATOM 0 HE1 TYR A 30 -4.196 -13.749 -4.095 1.00 73.14 H new ATOM 0 HE2 TYR A 30 -1.956 -11.546 -1.213 1.00 22.32 H new ATOM 0 HH TYR A 30 -1.821 -13.761 -1.436 1.00 5.14 H new ATOM 417 N ASP A 31 -7.070 -8.464 -5.878 1.00 71.32 N ATOM 418 CA ASP A 31 -8.196 -7.751 -6.391 1.00 1.22 C ATOM 419 C ASP A 31 -9.205 -7.877 -5.319 1.00 31.10 C ATOM 420 O ASP A 31 -9.019 -8.715 -4.419 1.00 0.23 O ATOM 421 CB ASP A 31 -8.800 -8.480 -7.622 1.00 32.11 C ATOM 422 CG ASP A 31 -7.830 -8.896 -8.704 1.00 63.23 C ATOM 423 OD1 ASP A 31 -7.323 -10.031 -8.641 1.00 74.35 O ATOM 424 OD2 ASP A 31 -7.612 -8.141 -9.667 1.00 30.22 O ATOM 0 H ASP A 31 -7.305 -9.375 -5.485 1.00 71.32 H new ATOM 0 HA ASP A 31 -7.923 -6.734 -6.673 1.00 1.22 H new ATOM 0 HB2 ASP A 31 -9.320 -9.371 -7.269 1.00 32.11 H new ATOM 0 HB3 ASP A 31 -9.551 -7.829 -8.069 1.00 32.11 H new ATOM 429 N LEU A 32 -10.251 -7.093 -5.381 1.00 15.32 N ATOM 430 CA LEU A 32 -11.301 -7.129 -4.367 1.00 12.22 C ATOM 431 C LEU A 32 -11.847 -8.561 -4.148 1.00 30.54 C ATOM 432 O LEU A 32 -11.866 -9.026 -3.008 1.00 52.12 O ATOM 433 CB LEU A 32 -12.417 -6.107 -4.659 1.00 0.31 C ATOM 434 CG LEU A 32 -11.987 -4.629 -4.662 1.00 45.23 C ATOM 435 CD1 LEU A 32 -13.156 -3.721 -5.008 1.00 31.23 C ATOM 436 CD2 LEU A 32 -11.398 -4.234 -3.310 1.00 53.21 C ATOM 0 H LEU A 32 -10.408 -6.413 -6.125 1.00 15.32 H new ATOM 0 HA LEU A 32 -10.846 -6.828 -3.423 1.00 12.22 H new ATOM 0 HB2 LEU A 32 -12.853 -6.341 -5.630 1.00 0.31 H new ATOM 0 HB3 LEU A 32 -13.205 -6.235 -3.917 1.00 0.31 H new ATOM 0 HG LEU A 32 -11.219 -4.508 -5.426 1.00 45.23 H new ATOM 0 HD11 LEU A 32 -12.824 -2.683 -5.003 1.00 31.23 H new ATOM 0 HD12 LEU A 32 -13.534 -3.976 -5.998 1.00 31.23 H new ATOM 0 HD13 LEU A 32 -13.949 -3.852 -4.272 1.00 31.23 H new ATOM 0 HD21 LEU A 32 -11.101 -3.186 -3.335 1.00 53.21 H new ATOM 0 HD22 LEU A 32 -12.146 -4.381 -2.531 1.00 53.21 H new ATOM 0 HD23 LEU A 32 -10.526 -4.853 -3.098 1.00 53.21 H new ATOM 448 N PRO A 33 -12.256 -9.313 -5.232 1.00 62.44 N ATOM 449 CA PRO A 33 -12.679 -10.709 -5.088 1.00 53.10 C ATOM 450 C PRO A 33 -11.587 -11.589 -4.455 1.00 61.24 C ATOM 451 O PRO A 33 -11.874 -12.406 -3.613 1.00 65.20 O ATOM 452 CB PRO A 33 -12.963 -11.175 -6.529 1.00 2.02 C ATOM 453 CG PRO A 33 -12.356 -10.136 -7.409 1.00 41.14 C ATOM 454 CD PRO A 33 -12.411 -8.859 -6.636 1.00 31.52 C ATOM 0 HA PRO A 33 -13.543 -10.792 -4.428 1.00 53.10 H new ATOM 0 HB2 PRO A 33 -12.525 -12.155 -6.718 1.00 2.02 H new ATOM 0 HB3 PRO A 33 -14.034 -11.265 -6.709 1.00 2.02 H new ATOM 0 HG2 PRO A 33 -11.328 -10.393 -7.665 1.00 41.14 H new ATOM 0 HG3 PRO A 33 -12.906 -10.049 -8.346 1.00 41.14 H new ATOM 0 HD2 PRO A 33 -11.615 -8.175 -6.929 1.00 31.52 H new ATOM 0 HD3 PRO A 33 -13.354 -8.335 -6.789 1.00 31.52 H new ATOM 462 N ARG A 34 -10.324 -11.371 -4.833 1.00 1.23 N ATOM 463 CA ARG A 34 -9.222 -12.199 -4.319 1.00 54.24 C ATOM 464 C ARG A 34 -8.928 -11.949 -2.856 1.00 21.22 C ATOM 465 O ARG A 34 -8.565 -12.862 -2.134 1.00 33.33 O ATOM 466 CB ARG A 34 -7.940 -12.119 -5.163 1.00 22.30 C ATOM 467 CG ARG A 34 -7.962 -12.975 -6.424 1.00 43.51 C ATOM 468 CD ARG A 34 -9.013 -12.519 -7.407 1.00 44.42 C ATOM 469 NE ARG A 34 -9.165 -13.435 -8.526 1.00 1.31 N ATOM 470 CZ ARG A 34 -9.143 -13.076 -9.812 1.00 11.52 C ATOM 471 NH1 ARG A 34 -8.644 -11.886 -10.173 1.00 51.25 N ATOM 472 NH2 ARG A 34 -9.543 -13.934 -10.744 1.00 73.14 N ATOM 0 H ARG A 34 -10.038 -10.639 -5.484 1.00 1.23 H new ATOM 0 HA ARG A 34 -9.588 -13.222 -4.409 1.00 54.24 H new ATOM 0 HB2 ARG A 34 -7.770 -11.080 -5.447 1.00 22.30 H new ATOM 0 HB3 ARG A 34 -7.094 -12.423 -4.547 1.00 22.30 H new ATOM 0 HG2 ARG A 34 -6.982 -12.941 -6.901 1.00 43.51 H new ATOM 0 HG3 ARG A 34 -8.148 -14.014 -6.152 1.00 43.51 H new ATOM 0 HD2 ARG A 34 -9.968 -12.419 -6.892 1.00 44.42 H new ATOM 0 HD3 ARG A 34 -8.749 -11.531 -7.784 1.00 44.42 H new ATOM 0 HE ARG A 34 -9.298 -14.424 -8.313 1.00 1.31 H new ATOM 0 HH11 ARG A 34 -8.279 -11.250 -9.464 1.00 51.25 H new ATOM 0 HH12 ARG A 34 -8.629 -11.616 -11.157 1.00 51.25 H new ATOM 0 HH21 ARG A 34 -9.866 -14.864 -10.476 1.00 73.14 H new ATOM 0 HH22 ARG A 34 -9.527 -13.663 -11.727 1.00 73.14 H new ATOM 486 N VAL A 35 -9.048 -10.724 -2.421 1.00 43.00 N ATOM 487 CA VAL A 35 -8.877 -10.435 -1.003 1.00 41.23 C ATOM 488 C VAL A 35 -10.060 -10.991 -0.217 1.00 21.03 C ATOM 489 O VAL A 35 -9.900 -11.528 0.896 1.00 52.53 O ATOM 490 CB VAL A 35 -8.619 -8.934 -0.707 1.00 42.13 C ATOM 491 CG1 VAL A 35 -8.462 -8.672 0.789 1.00 42.01 C ATOM 492 CG2 VAL A 35 -7.383 -8.469 -1.451 1.00 32.22 C ATOM 0 H VAL A 35 -9.259 -9.916 -3.007 1.00 43.00 H new ATOM 0 HA VAL A 35 -7.970 -10.940 -0.670 1.00 41.23 H new ATOM 0 HB VAL A 35 -9.486 -8.370 -1.051 1.00 42.13 H new ATOM 0 HG11 VAL A 35 -8.283 -7.610 0.956 1.00 42.01 H new ATOM 0 HG12 VAL A 35 -9.372 -8.972 1.308 1.00 42.01 H new ATOM 0 HG13 VAL A 35 -7.619 -9.247 1.173 1.00 42.01 H new ATOM 0 HG21 VAL A 35 -7.206 -7.414 -1.240 1.00 32.22 H new ATOM 0 HG22 VAL A 35 -6.522 -9.053 -1.127 1.00 32.22 H new ATOM 0 HG23 VAL A 35 -7.531 -8.605 -2.522 1.00 32.22 H new ATOM 502 N ALA A 36 -11.234 -10.891 -0.821 1.00 75.33 N ATOM 503 CA ALA A 36 -12.437 -11.472 -0.271 1.00 42.35 C ATOM 504 C ALA A 36 -12.234 -12.982 -0.108 1.00 11.13 C ATOM 505 O ALA A 36 -12.697 -13.586 0.858 1.00 25.11 O ATOM 506 CB ALA A 36 -13.621 -11.176 -1.179 1.00 40.24 C ATOM 0 H ALA A 36 -11.374 -10.404 -1.706 1.00 75.33 H new ATOM 0 HA ALA A 36 -12.646 -11.036 0.706 1.00 42.35 H new ATOM 0 HB1 ALA A 36 -14.523 -11.618 -0.756 1.00 40.24 H new ATOM 0 HB2 ALA A 36 -13.752 -10.097 -1.266 1.00 40.24 H new ATOM 0 HB3 ALA A 36 -13.437 -11.600 -2.166 1.00 40.24 H new ATOM 512 N GLU A 37 -11.510 -13.559 -1.052 1.00 21.04 N ATOM 513 CA GLU A 37 -11.120 -14.955 -1.029 1.00 2.44 C ATOM 514 C GLU A 37 -10.167 -15.268 0.129 1.00 3.42 C ATOM 515 O GLU A 37 -10.357 -16.250 0.847 1.00 13.24 O ATOM 516 CB GLU A 37 -10.423 -15.303 -2.338 1.00 72.11 C ATOM 517 CG GLU A 37 -11.329 -15.401 -3.550 1.00 21.40 C ATOM 518 CD GLU A 37 -12.408 -16.438 -3.401 1.00 1.13 C ATOM 519 OE1 GLU A 37 -12.163 -17.614 -3.718 1.00 44.42 O ATOM 520 OE2 GLU A 37 -13.536 -16.100 -2.980 1.00 32.34 O ATOM 0 H GLU A 37 -11.171 -13.057 -1.873 1.00 21.04 H new ATOM 0 HA GLU A 37 -12.025 -15.547 -0.896 1.00 2.44 H new ATOM 0 HB2 GLU A 37 -9.660 -14.550 -2.535 1.00 72.11 H new ATOM 0 HB3 GLU A 37 -9.907 -16.255 -2.213 1.00 72.11 H new ATOM 0 HG2 GLU A 37 -11.790 -14.430 -3.730 1.00 21.40 H new ATOM 0 HG3 GLU A 37 -10.727 -15.636 -4.428 1.00 21.40 H new ATOM 527 N LEU A 38 -9.167 -14.412 0.318 1.00 5.02 N ATOM 528 CA LEU A 38 -8.143 -14.623 1.345 1.00 5.42 C ATOM 529 C LEU A 38 -8.738 -14.620 2.733 1.00 61.42 C ATOM 530 O LEU A 38 -8.531 -15.550 3.509 1.00 3.23 O ATOM 531 CB LEU A 38 -7.061 -13.532 1.296 1.00 71.35 C ATOM 532 CG LEU A 38 -6.242 -13.399 0.017 1.00 31.15 C ATOM 533 CD1 LEU A 38 -5.244 -12.272 0.171 1.00 35.43 C ATOM 534 CD2 LEU A 38 -5.515 -14.692 -0.301 1.00 21.24 C ATOM 0 H LEU A 38 -9.041 -13.560 -0.228 1.00 5.02 H new ATOM 0 HA LEU A 38 -7.701 -15.596 1.133 1.00 5.42 H new ATOM 0 HB2 LEU A 38 -7.544 -12.573 1.486 1.00 71.35 H new ATOM 0 HB3 LEU A 38 -6.369 -13.709 2.120 1.00 71.35 H new ATOM 0 HG LEU A 38 -6.920 -13.179 -0.807 1.00 31.15 H new ATOM 0 HD11 LEU A 38 -4.658 -12.177 -0.743 1.00 35.43 H new ATOM 0 HD12 LEU A 38 -5.775 -11.339 0.360 1.00 35.43 H new ATOM 0 HD13 LEU A 38 -4.579 -12.487 1.007 1.00 35.43 H new ATOM 0 HD21 LEU A 38 -4.939 -14.569 -1.218 1.00 21.24 H new ATOM 0 HD22 LEU A 38 -4.843 -14.943 0.519 1.00 21.24 H new ATOM 0 HD23 LEU A 38 -6.241 -15.494 -0.433 1.00 21.24 H new ATOM 546 N LEU A 39 -9.507 -13.603 3.020 1.00 53.54 N ATOM 547 CA LEU A 39 -10.035 -13.421 4.356 1.00 74.02 C ATOM 548 C LEU A 39 -11.350 -14.147 4.554 1.00 33.20 C ATOM 549 O LEU A 39 -11.794 -14.342 5.688 1.00 31.34 O ATOM 550 CB LEU A 39 -10.191 -11.932 4.664 1.00 74.10 C ATOM 551 CG LEU A 39 -8.914 -11.084 4.611 1.00 54.12 C ATOM 552 CD1 LEU A 39 -9.230 -9.624 4.894 1.00 43.30 C ATOM 553 CD2 LEU A 39 -7.879 -11.604 5.595 1.00 5.12 C ATOM 0 H LEU A 39 -9.784 -12.885 2.350 1.00 53.54 H new ATOM 0 HA LEU A 39 -9.320 -13.857 5.053 1.00 74.02 H new ATOM 0 HB2 LEU A 39 -10.909 -11.512 3.960 1.00 74.10 H new ATOM 0 HB3 LEU A 39 -10.625 -11.833 5.659 1.00 74.10 H new ATOM 0 HG LEU A 39 -8.498 -11.160 3.606 1.00 54.12 H new ATOM 0 HD11 LEU A 39 -8.312 -9.038 4.852 1.00 43.30 H new ATOM 0 HD12 LEU A 39 -9.932 -9.252 4.148 1.00 43.30 H new ATOM 0 HD13 LEU A 39 -9.673 -9.533 5.886 1.00 43.30 H new ATOM 0 HD21 LEU A 39 -6.982 -10.987 5.540 1.00 5.12 H new ATOM 0 HD22 LEU A 39 -8.285 -11.564 6.606 1.00 5.12 H new ATOM 0 HD23 LEU A 39 -7.626 -12.635 5.346 1.00 5.12 H new ATOM 565 N GLY A 40 -11.972 -14.552 3.466 1.00 64.21 N ATOM 566 CA GLY A 40 -13.261 -15.202 3.556 1.00 33.42 C ATOM 567 C GLY A 40 -14.326 -14.207 3.965 1.00 41.53 C ATOM 568 O GLY A 40 -15.267 -14.540 4.687 1.00 43.03 O ATOM 0 H GLY A 40 -11.610 -14.444 2.519 1.00 64.21 H new ATOM 0 HA2 GLY A 40 -13.519 -15.646 2.595 1.00 33.42 H new ATOM 0 HA3 GLY A 40 -13.216 -16.015 4.281 1.00 33.42 H new ATOM 572 N VAL A 41 -14.139 -12.979 3.533 1.00 1.13 N ATOM 573 CA VAL A 41 -15.026 -11.872 3.866 1.00 42.31 C ATOM 574 C VAL A 41 -15.562 -11.269 2.571 1.00 52.44 C ATOM 575 O VAL A 41 -15.050 -11.585 1.508 1.00 60.13 O ATOM 576 CB VAL A 41 -14.283 -10.755 4.696 1.00 61.53 C ATOM 577 CG1 VAL A 41 -13.663 -11.312 5.968 1.00 12.33 C ATOM 578 CG2 VAL A 41 -13.240 -10.015 3.856 1.00 34.23 C ATOM 0 H VAL A 41 -13.359 -12.712 2.933 1.00 1.13 H new ATOM 0 HA VAL A 41 -15.840 -12.256 4.482 1.00 42.31 H new ATOM 0 HB VAL A 41 -15.042 -10.030 4.989 1.00 61.53 H new ATOM 0 HG11 VAL A 41 -13.161 -10.510 6.510 1.00 12.33 H new ATOM 0 HG12 VAL A 41 -14.444 -11.741 6.596 1.00 12.33 H new ATOM 0 HG13 VAL A 41 -12.939 -12.085 5.711 1.00 12.33 H new ATOM 0 HG21 VAL A 41 -12.753 -9.255 4.467 1.00 34.23 H new ATOM 0 HG22 VAL A 41 -12.494 -10.723 3.495 1.00 34.23 H new ATOM 0 HG23 VAL A 41 -13.729 -9.539 3.006 1.00 34.23 H new ATOM 588 N PRO A 42 -16.622 -10.453 2.617 1.00 63.30 N ATOM 589 CA PRO A 42 -17.096 -9.764 1.436 1.00 14.00 C ATOM 590 C PRO A 42 -16.297 -8.474 1.172 1.00 3.42 C ATOM 591 O PRO A 42 -15.557 -7.979 2.055 1.00 65.32 O ATOM 592 CB PRO A 42 -18.557 -9.438 1.755 1.00 43.42 C ATOM 593 CG PRO A 42 -18.685 -9.493 3.245 1.00 3.02 C ATOM 594 CD PRO A 42 -17.450 -10.164 3.797 1.00 71.32 C ATOM 0 HA PRO A 42 -16.982 -10.369 0.537 1.00 14.00 H new ATOM 0 HB2 PRO A 42 -18.826 -8.451 1.378 1.00 43.42 H new ATOM 0 HB3 PRO A 42 -19.228 -10.154 1.281 1.00 43.42 H new ATOM 0 HG2 PRO A 42 -18.788 -8.489 3.656 1.00 3.02 H new ATOM 0 HG3 PRO A 42 -19.579 -10.047 3.530 1.00 3.02 H new ATOM 0 HD2 PRO A 42 -16.927 -9.514 4.498 1.00 71.32 H new ATOM 0 HD3 PRO A 42 -17.703 -11.077 4.336 1.00 71.32 H new ATOM 602 N VAL A 43 -16.475 -7.920 -0.021 1.00 14.03 N ATOM 603 CA VAL A 43 -15.790 -6.697 -0.459 1.00 31.24 C ATOM 604 C VAL A 43 -16.109 -5.540 0.475 1.00 62.25 C ATOM 605 O VAL A 43 -15.260 -4.685 0.740 1.00 24.10 O ATOM 606 CB VAL A 43 -16.150 -6.322 -1.929 1.00 64.15 C ATOM 607 CG1 VAL A 43 -15.439 -5.051 -2.373 1.00 42.14 C ATOM 608 CG2 VAL A 43 -15.806 -7.465 -2.869 1.00 64.45 C ATOM 0 H VAL A 43 -17.105 -8.307 -0.724 1.00 14.03 H new ATOM 0 HA VAL A 43 -14.719 -6.896 -0.423 1.00 31.24 H new ATOM 0 HB VAL A 43 -17.224 -6.138 -1.967 1.00 64.15 H new ATOM 0 HG11 VAL A 43 -15.714 -4.821 -3.402 1.00 42.14 H new ATOM 0 HG12 VAL A 43 -15.733 -4.225 -1.726 1.00 42.14 H new ATOM 0 HG13 VAL A 43 -14.361 -5.196 -2.309 1.00 42.14 H new ATOM 0 HG21 VAL A 43 -16.064 -7.186 -3.891 1.00 64.45 H new ATOM 0 HG22 VAL A 43 -14.738 -7.677 -2.809 1.00 64.45 H new ATOM 0 HG23 VAL A 43 -16.369 -8.354 -2.583 1.00 64.45 H new ATOM 618 N SER A 44 -17.310 -5.555 1.001 1.00 34.14 N ATOM 619 CA SER A 44 -17.775 -4.550 1.911 1.00 60.25 C ATOM 620 C SER A 44 -16.860 -4.451 3.147 1.00 60.11 C ATOM 621 O SER A 44 -16.483 -3.354 3.558 1.00 12.50 O ATOM 622 CB SER A 44 -19.199 -4.895 2.289 1.00 72.54 C ATOM 623 OG SER A 44 -19.280 -6.248 2.723 1.00 12.43 O ATOM 0 H SER A 44 -17.999 -6.280 0.802 1.00 34.14 H new ATOM 0 HA SER A 44 -17.749 -3.568 1.438 1.00 60.25 H new ATOM 0 HB2 SER A 44 -19.543 -4.230 3.081 1.00 72.54 H new ATOM 0 HB3 SER A 44 -19.857 -4.740 1.434 1.00 72.54 H new ATOM 0 HG SER A 44 -20.206 -6.459 2.966 1.00 12.43 H new ATOM 629 N LYS A 45 -16.462 -5.606 3.697 1.00 74.02 N ATOM 630 CA LYS A 45 -15.547 -5.627 4.830 1.00 11.12 C ATOM 631 C LYS A 45 -14.167 -5.180 4.421 1.00 4.45 C ATOM 632 O LYS A 45 -13.480 -4.536 5.194 1.00 62.12 O ATOM 633 CB LYS A 45 -15.498 -6.983 5.545 1.00 43.04 C ATOM 634 CG LYS A 45 -16.807 -7.343 6.236 1.00 40.32 C ATOM 635 CD LYS A 45 -16.718 -8.635 7.049 1.00 72.02 C ATOM 636 CE LYS A 45 -15.705 -8.538 8.183 1.00 74.50 C ATOM 637 NZ LYS A 45 -15.701 -9.746 9.033 1.00 23.43 N ATOM 0 H LYS A 45 -16.760 -6.527 3.374 1.00 74.02 H new ATOM 0 HA LYS A 45 -15.944 -4.915 5.554 1.00 11.12 H new ATOM 0 HB2 LYS A 45 -15.251 -7.760 4.821 1.00 43.04 H new ATOM 0 HB3 LYS A 45 -14.696 -6.969 6.283 1.00 43.04 H new ATOM 0 HG2 LYS A 45 -17.101 -6.525 6.894 1.00 40.32 H new ATOM 0 HG3 LYS A 45 -17.591 -7.446 5.486 1.00 40.32 H new ATOM 0 HD2 LYS A 45 -17.699 -8.870 7.461 1.00 72.02 H new ATOM 0 HD3 LYS A 45 -16.443 -9.458 6.389 1.00 72.02 H new ATOM 0 HE2 LYS A 45 -14.709 -8.386 7.766 1.00 74.50 H new ATOM 0 HE3 LYS A 45 -15.931 -7.665 8.796 1.00 74.50 H new ATOM 0 HZ1 LYS A 45 -14.997 -9.635 9.791 1.00 23.43 H new ATOM 0 HZ2 LYS A 45 -16.643 -9.878 9.453 1.00 23.43 H new ATOM 0 HZ3 LYS A 45 -15.460 -10.576 8.455 1.00 23.43 H new ATOM 651 N VAL A 46 -13.779 -5.497 3.191 1.00 11.44 N ATOM 652 CA VAL A 46 -12.479 -5.066 2.650 1.00 33.25 C ATOM 653 C VAL A 46 -12.429 -3.541 2.589 1.00 14.12 C ATOM 654 O VAL A 46 -11.448 -2.922 3.004 1.00 3.12 O ATOM 655 CB VAL A 46 -12.206 -5.667 1.238 1.00 22.21 C ATOM 656 CG1 VAL A 46 -10.850 -5.219 0.703 1.00 52.30 C ATOM 657 CG2 VAL A 46 -12.286 -7.188 1.272 1.00 23.41 C ATOM 0 H VAL A 46 -14.340 -6.050 2.544 1.00 11.44 H new ATOM 0 HA VAL A 46 -11.700 -5.436 3.317 1.00 33.25 H new ATOM 0 HB VAL A 46 -12.978 -5.295 0.564 1.00 22.21 H new ATOM 0 HG11 VAL A 46 -10.686 -5.653 -0.283 1.00 52.30 H new ATOM 0 HG12 VAL A 46 -10.829 -4.132 0.629 1.00 52.30 H new ATOM 0 HG13 VAL A 46 -10.064 -5.551 1.381 1.00 52.30 H new ATOM 0 HG21 VAL A 46 -12.092 -7.585 0.276 1.00 23.41 H new ATOM 0 HG22 VAL A 46 -11.542 -7.576 1.968 1.00 23.41 H new ATOM 0 HG23 VAL A 46 -13.281 -7.493 1.597 1.00 23.41 H new ATOM 667 N ALA A 47 -13.512 -2.948 2.130 1.00 61.24 N ATOM 668 CA ALA A 47 -13.639 -1.501 2.069 1.00 43.52 C ATOM 669 C ALA A 47 -13.525 -0.892 3.474 1.00 62.34 C ATOM 670 O ALA A 47 -12.928 0.166 3.660 1.00 51.21 O ATOM 671 CB ALA A 47 -14.953 -1.115 1.411 1.00 62.14 C ATOM 0 H ALA A 47 -14.330 -3.452 1.788 1.00 61.24 H new ATOM 0 HA ALA A 47 -12.825 -1.102 1.463 1.00 43.52 H new ATOM 0 HB1 ALA A 47 -15.035 -0.029 1.372 1.00 62.14 H new ATOM 0 HB2 ALA A 47 -14.985 -1.518 0.399 1.00 62.14 H new ATOM 0 HB3 ALA A 47 -15.783 -1.521 1.990 1.00 62.14 H new ATOM 677 N GLN A 48 -14.067 -1.596 4.457 1.00 44.32 N ATOM 678 CA GLN A 48 -14.013 -1.173 5.854 1.00 61.50 C ATOM 679 C GLN A 48 -12.578 -1.171 6.384 1.00 62.24 C ATOM 680 O GLN A 48 -12.200 -0.287 7.165 1.00 22.05 O ATOM 681 CB GLN A 48 -14.872 -2.072 6.713 1.00 62.53 C ATOM 682 CG GLN A 48 -16.336 -2.004 6.378 1.00 32.33 C ATOM 683 CD GLN A 48 -17.163 -2.929 7.221 1.00 40.04 C ATOM 684 OE1 GLN A 48 -16.702 -3.991 7.655 1.00 4.42 O ATOM 685 NE2 GLN A 48 -18.376 -2.544 7.459 1.00 52.31 N ATOM 0 H GLN A 48 -14.558 -2.478 4.311 1.00 44.32 H new ATOM 0 HA GLN A 48 -14.397 -0.154 5.902 1.00 61.50 H new ATOM 0 HB2 GLN A 48 -14.530 -3.101 6.603 1.00 62.53 H new ATOM 0 HB3 GLN A 48 -14.734 -1.801 7.760 1.00 62.53 H new ATOM 0 HG2 GLN A 48 -16.689 -0.982 6.513 1.00 32.33 H new ATOM 0 HG3 GLN A 48 -16.476 -2.253 5.326 1.00 32.33 H new ATOM 0 HE21 GLN A 48 -18.714 -1.659 7.080 1.00 52.31 H new ATOM 0 HE22 GLN A 48 -18.994 -3.125 8.025 1.00 52.31 H new ATOM 694 N GLN A 49 -11.785 -2.151 5.935 1.00 34.02 N ATOM 695 CA GLN A 49 -10.371 -2.280 6.332 1.00 34.52 C ATOM 696 C GLN A 49 -9.621 -1.057 5.836 1.00 41.24 C ATOM 697 O GLN A 49 -8.838 -0.432 6.565 1.00 15.20 O ATOM 698 CB GLN A 49 -9.742 -3.541 5.700 1.00 1.33 C ATOM 699 CG GLN A 49 -10.548 -4.811 5.905 1.00 42.11 C ATOM 700 CD GLN A 49 -10.707 -5.202 7.353 1.00 15.03 C ATOM 701 OE1 GLN A 49 -11.624 -4.748 8.036 1.00 72.23 O ATOM 702 NE2 GLN A 49 -9.882 -6.097 7.806 1.00 35.04 N ATOM 0 H GLN A 49 -12.100 -2.875 5.289 1.00 34.02 H new ATOM 0 HA GLN A 49 -10.309 -2.363 7.417 1.00 34.52 H new ATOM 0 HB2 GLN A 49 -9.616 -3.373 4.630 1.00 1.33 H new ATOM 0 HB3 GLN A 49 -8.746 -3.685 6.119 1.00 1.33 H new ATOM 0 HG2 GLN A 49 -11.536 -4.679 5.463 1.00 42.11 H new ATOM 0 HG3 GLN A 49 -10.065 -5.628 5.368 1.00 42.11 H new ATOM 0 HE21 GLN A 49 -9.134 -6.449 7.209 1.00 35.04 H new ATOM 0 HE22 GLN A 49 -9.982 -6.447 8.759 1.00 35.04 H new ATOM 711 N LEU A 50 -9.926 -0.690 4.615 1.00 75.02 N ATOM 712 CA LEU A 50 -9.339 0.467 3.968 1.00 63.34 C ATOM 713 C LEU A 50 -9.689 1.731 4.737 1.00 51.45 C ATOM 714 O LEU A 50 -8.818 2.524 5.067 1.00 73.10 O ATOM 715 CB LEU A 50 -9.851 0.565 2.524 1.00 20.52 C ATOM 716 CG LEU A 50 -9.060 -0.159 1.416 1.00 20.53 C ATOM 717 CD1 LEU A 50 -8.875 -1.642 1.702 1.00 43.14 C ATOM 718 CD2 LEU A 50 -9.766 0.034 0.090 1.00 72.01 C ATOM 0 H LEU A 50 -10.597 -1.190 4.032 1.00 75.02 H new ATOM 0 HA LEU A 50 -8.255 0.358 3.955 1.00 63.34 H new ATOM 0 HB2 LEU A 50 -10.872 0.183 2.507 1.00 20.52 H new ATOM 0 HB3 LEU A 50 -9.901 1.621 2.260 1.00 20.52 H new ATOM 0 HG LEU A 50 -8.063 0.280 1.380 1.00 20.53 H new ATOM 0 HD11 LEU A 50 -8.312 -2.102 0.890 1.00 43.14 H new ATOM 0 HD12 LEU A 50 -8.330 -1.767 2.638 1.00 43.14 H new ATOM 0 HD13 LEU A 50 -9.851 -2.121 1.784 1.00 43.14 H new ATOM 0 HD21 LEU A 50 -9.210 -0.477 -0.696 1.00 72.01 H new ATOM 0 HD22 LEU A 50 -10.772 -0.380 0.150 1.00 72.01 H new ATOM 0 HD23 LEU A 50 -9.825 1.098 -0.139 1.00 72.01 H new ATOM 730 N ARG A 51 -10.954 1.853 5.085 1.00 25.24 N ATOM 731 CA ARG A 51 -11.485 3.005 5.823 1.00 33.10 C ATOM 732 C ARG A 51 -10.838 3.205 7.206 1.00 2.01 C ATOM 733 O ARG A 51 -10.823 4.326 7.737 1.00 50.23 O ATOM 734 CB ARG A 51 -12.991 2.866 5.986 1.00 42.14 C ATOM 735 CG ARG A 51 -13.785 3.061 4.708 1.00 51.30 C ATOM 736 CD ARG A 51 -15.242 2.682 4.916 1.00 3.52 C ATOM 737 NE ARG A 51 -15.835 3.346 6.086 1.00 32.23 N ATOM 738 CZ ARG A 51 -16.955 2.946 6.713 1.00 65.13 C ATOM 739 NH1 ARG A 51 -17.680 1.935 6.229 1.00 4.10 N ATOM 740 NH2 ARG A 51 -17.343 3.555 7.824 1.00 13.30 N ATOM 0 H ARG A 51 -11.660 1.151 4.865 1.00 25.24 H new ATOM 0 HA ARG A 51 -11.239 3.886 5.230 1.00 33.10 H new ATOM 0 HB2 ARG A 51 -13.210 1.876 6.387 1.00 42.14 H new ATOM 0 HB3 ARG A 51 -13.332 3.592 6.724 1.00 42.14 H new ATOM 0 HG2 ARG A 51 -13.717 4.100 4.387 1.00 51.30 H new ATOM 0 HG3 ARG A 51 -13.356 2.453 3.912 1.00 51.30 H new ATOM 0 HD2 ARG A 51 -15.813 2.944 4.025 1.00 3.52 H new ATOM 0 HD3 ARG A 51 -15.319 1.602 5.038 1.00 3.52 H new ATOM 0 HE ARG A 51 -15.361 4.173 6.450 1.00 32.23 H new ATOM 0 HH11 ARG A 51 -17.386 1.459 5.376 1.00 4.10 H new ATOM 0 HH12 ARG A 51 -18.528 1.639 6.712 1.00 4.10 H new ATOM 0 HH21 ARG A 51 -16.792 4.326 8.202 1.00 13.30 H new ATOM 0 HH22 ARG A 51 -18.192 3.253 8.301 1.00 13.30 H new ATOM 754 N GLU A 52 -10.322 2.145 7.807 1.00 45.22 N ATOM 755 CA GLU A 52 -9.743 2.287 9.132 1.00 42.21 C ATOM 756 C GLU A 52 -8.219 2.319 9.079 1.00 54.53 C ATOM 757 O GLU A 52 -7.560 2.375 10.121 1.00 41.30 O ATOM 758 CB GLU A 52 -10.208 1.182 10.078 1.00 23.21 C ATOM 759 CG GLU A 52 -9.831 -0.200 9.617 1.00 21.15 C ATOM 760 CD GLU A 52 -9.983 -1.234 10.690 1.00 10.44 C ATOM 761 OE1 GLU A 52 -9.020 -1.438 11.470 1.00 25.35 O ATOM 762 OE2 GLU A 52 -11.052 -1.842 10.809 1.00 63.43 O ATOM 0 H GLU A 52 -10.292 1.204 7.413 1.00 45.22 H new ATOM 0 HA GLU A 52 -10.096 3.241 9.522 1.00 42.21 H new ATOM 0 HB2 GLU A 52 -9.781 1.356 11.066 1.00 23.21 H new ATOM 0 HB3 GLU A 52 -11.291 1.238 10.185 1.00 23.21 H new ATOM 0 HG2 GLU A 52 -10.451 -0.475 8.764 1.00 21.15 H new ATOM 0 HG3 GLU A 52 -8.798 -0.193 9.270 1.00 21.15 H new ATOM 769 N GLY A 53 -7.666 2.274 7.878 1.00 54.01 N ATOM 770 CA GLY A 53 -6.222 2.253 7.732 1.00 35.40 C ATOM 771 C GLY A 53 -5.635 0.928 8.193 1.00 51.40 C ATOM 772 O GLY A 53 -4.588 0.885 8.853 1.00 54.22 O ATOM 0 H GLY A 53 -8.188 2.252 7.002 1.00 54.01 H new ATOM 0 HA2 GLY A 53 -5.958 2.426 6.689 1.00 35.40 H new ATOM 0 HA3 GLY A 53 -5.785 3.067 8.310 1.00 35.40 H new ATOM 776 N HIS A 54 -6.338 -0.141 7.885 1.00 21.43 N ATOM 777 CA HIS A 54 -5.912 -1.487 8.246 1.00 21.43 C ATOM 778 C HIS A 54 -5.194 -2.086 7.047 1.00 45.52 C ATOM 779 O HIS A 54 -4.304 -2.911 7.177 1.00 50.01 O ATOM 780 CB HIS A 54 -7.156 -2.327 8.571 1.00 24.41 C ATOM 781 CG HIS A 54 -6.942 -3.542 9.412 1.00 53.42 C ATOM 782 ND1 HIS A 54 -7.533 -3.702 10.644 1.00 64.31 N ATOM 783 CD2 HIS A 54 -6.247 -4.679 9.176 1.00 23.23 C ATOM 784 CE1 HIS A 54 -7.191 -4.898 11.116 1.00 31.00 C ATOM 785 NE2 HIS A 54 -6.407 -5.539 10.261 1.00 74.25 N ATOM 0 H HIS A 54 -7.222 -0.107 7.377 1.00 21.43 H new ATOM 0 HA HIS A 54 -5.250 -1.469 9.112 1.00 21.43 H new ATOM 0 HB2 HIS A 54 -7.877 -1.685 9.077 1.00 24.41 H new ATOM 0 HB3 HIS A 54 -7.611 -2.639 7.631 1.00 24.41 H new ATOM 0 HD1 HIS A 54 -8.130 -3.022 11.114 1.00 64.31 H new ATOM 0 HD2 HIS A 54 -5.663 -4.886 8.291 1.00 23.23 H new ATOM 0 HE1 HIS A 54 -7.510 -5.294 12.069 1.00 31.00 H new ATOM 793 N LEU A 55 -5.599 -1.630 5.885 1.00 24.43 N ATOM 794 CA LEU A 55 -5.089 -2.074 4.619 1.00 62.44 C ATOM 795 C LEU A 55 -5.435 -0.972 3.636 1.00 31.14 C ATOM 796 O LEU A 55 -6.349 -0.197 3.913 1.00 35.05 O ATOM 797 CB LEU A 55 -5.789 -3.390 4.227 1.00 53.42 C ATOM 798 CG LEU A 55 -5.335 -4.078 2.937 1.00 13.03 C ATOM 799 CD1 LEU A 55 -3.873 -4.489 3.024 1.00 63.32 C ATOM 800 CD2 LEU A 55 -6.211 -5.286 2.660 1.00 41.34 C ATOM 0 H LEU A 55 -6.319 -0.913 5.798 1.00 24.43 H new ATOM 0 HA LEU A 55 -4.016 -2.262 4.640 1.00 62.44 H new ATOM 0 HB2 LEU A 55 -5.660 -4.096 5.047 1.00 53.42 H new ATOM 0 HB3 LEU A 55 -6.857 -3.190 4.143 1.00 53.42 H new ATOM 0 HG LEU A 55 -5.435 -3.370 2.114 1.00 13.03 H new ATOM 0 HD11 LEU A 55 -3.576 -4.975 2.095 1.00 63.32 H new ATOM 0 HD12 LEU A 55 -3.256 -3.605 3.185 1.00 63.32 H new ATOM 0 HD13 LEU A 55 -3.739 -5.181 3.855 1.00 63.32 H new ATOM 0 HD21 LEU A 55 -5.882 -5.771 1.741 1.00 41.34 H new ATOM 0 HD22 LEU A 55 -6.133 -5.990 3.489 1.00 41.34 H new ATOM 0 HD23 LEU A 55 -7.247 -4.967 2.551 1.00 41.34 H new ATOM 812 N VAL A 56 -4.716 -0.855 2.546 1.00 53.11 N ATOM 813 CA VAL A 56 -5.018 0.169 1.577 1.00 13.15 C ATOM 814 C VAL A 56 -5.013 -0.445 0.185 1.00 72.51 C ATOM 815 O VAL A 56 -4.339 -1.455 -0.048 1.00 63.30 O ATOM 816 CB VAL A 56 -4.026 1.376 1.679 1.00 52.24 C ATOM 817 CG1 VAL A 56 -2.603 0.980 1.328 1.00 1.20 C ATOM 818 CG2 VAL A 56 -4.486 2.565 0.851 1.00 3.22 C ATOM 0 H VAL A 56 -3.923 -1.452 2.309 1.00 53.11 H new ATOM 0 HA VAL A 56 -6.010 0.571 1.785 1.00 13.15 H new ATOM 0 HB VAL A 56 -4.027 1.686 2.724 1.00 52.24 H new ATOM 0 HG11 VAL A 56 -1.952 1.850 1.413 1.00 1.20 H new ATOM 0 HG12 VAL A 56 -2.262 0.203 2.012 1.00 1.20 H new ATOM 0 HG13 VAL A 56 -2.572 0.602 0.306 1.00 1.20 H new ATOM 0 HG21 VAL A 56 -3.768 3.378 0.952 1.00 3.22 H new ATOM 0 HG22 VAL A 56 -4.558 2.273 -0.197 1.00 3.22 H new ATOM 0 HG23 VAL A 56 -5.462 2.898 1.203 1.00 3.22 H new ATOM 828 N ALA A 57 -5.772 0.134 -0.703 1.00 64.42 N ATOM 829 CA ALA A 57 -5.875 -0.348 -2.054 1.00 73.53 C ATOM 830 C ALA A 57 -5.402 0.711 -3.008 1.00 13.03 C ATOM 831 O ALA A 57 -5.346 1.886 -2.653 1.00 42.42 O ATOM 832 CB ALA A 57 -7.298 -0.745 -2.371 1.00 53.23 C ATOM 0 H ALA A 57 -6.340 0.959 -0.510 1.00 64.42 H new ATOM 0 HA ALA A 57 -5.245 -1.231 -2.161 1.00 73.53 H new ATOM 0 HB1 ALA A 57 -7.355 -1.107 -3.398 1.00 53.23 H new ATOM 0 HB2 ALA A 57 -7.616 -1.534 -1.690 1.00 53.23 H new ATOM 0 HB3 ALA A 57 -7.951 0.120 -2.254 1.00 53.23 H new ATOM 838 N VAL A 58 -5.095 0.300 -4.201 1.00 12.32 N ATOM 839 CA VAL A 58 -4.576 1.157 -5.223 1.00 31.14 C ATOM 840 C VAL A 58 -5.433 1.017 -6.468 1.00 4.23 C ATOM 841 O VAL A 58 -6.251 0.079 -6.575 1.00 15.42 O ATOM 842 CB VAL A 58 -3.091 0.833 -5.535 1.00 15.14 C ATOM 843 CG1 VAL A 58 -2.280 0.953 -4.270 1.00 14.13 C ATOM 844 CG2 VAL A 58 -2.923 -0.552 -6.136 1.00 21.34 C ATOM 0 H VAL A 58 -5.202 -0.670 -4.499 1.00 12.32 H new ATOM 0 HA VAL A 58 -4.610 2.188 -4.871 1.00 31.14 H new ATOM 0 HB VAL A 58 -2.736 1.549 -6.276 1.00 15.14 H new ATOM 0 HG11 VAL A 58 -1.236 0.726 -4.484 1.00 14.13 H new ATOM 0 HG12 VAL A 58 -2.359 1.969 -3.882 1.00 14.13 H new ATOM 0 HG13 VAL A 58 -2.659 0.251 -3.527 1.00 14.13 H new ATOM 0 HG21 VAL A 58 -1.868 -0.735 -6.338 1.00 21.34 H new ATOM 0 HG22 VAL A 58 -3.294 -1.300 -5.435 1.00 21.34 H new ATOM 0 HG23 VAL A 58 -3.487 -0.616 -7.067 1.00 21.34 H new ATOM 854 N ARG A 59 -5.273 1.921 -7.386 1.00 23.42 N ATOM 855 CA ARG A 59 -6.095 1.966 -8.566 1.00 72.40 C ATOM 856 C ARG A 59 -5.235 1.733 -9.793 1.00 21.35 C ATOM 857 O ARG A 59 -4.144 2.280 -9.891 1.00 71.43 O ATOM 858 CB ARG A 59 -6.735 3.358 -8.663 1.00 2.12 C ATOM 859 CG ARG A 59 -7.768 3.524 -9.766 1.00 62.32 C ATOM 860 CD ARG A 59 -9.087 2.879 -9.401 1.00 20.12 C ATOM 861 NE ARG A 59 -9.712 3.514 -8.229 1.00 65.04 N ATOM 862 CZ ARG A 59 -10.974 3.297 -7.828 1.00 71.35 C ATOM 863 NH1 ARG A 59 -11.785 2.531 -8.562 1.00 20.51 N ATOM 864 NH2 ARG A 59 -11.430 3.871 -6.715 1.00 72.40 N ATOM 0 H ARG A 59 -4.565 2.654 -7.341 1.00 23.42 H new ATOM 0 HA ARG A 59 -6.865 1.196 -8.510 1.00 72.40 H new ATOM 0 HB2 ARG A 59 -7.207 3.590 -7.708 1.00 2.12 H new ATOM 0 HB3 ARG A 59 -5.945 4.093 -8.815 1.00 2.12 H new ATOM 0 HG2 ARG A 59 -7.924 4.585 -9.962 1.00 62.32 H new ATOM 0 HG3 ARG A 59 -7.390 3.082 -10.688 1.00 62.32 H new ATOM 0 HD2 ARG A 59 -9.767 2.940 -10.251 1.00 20.12 H new ATOM 0 HD3 ARG A 59 -8.927 1.820 -9.196 1.00 20.12 H new ATOM 0 HE ARG A 59 -9.146 4.164 -7.684 1.00 65.04 H new ATOM 0 HH11 ARG A 59 -11.445 2.111 -9.427 1.00 20.51 H new ATOM 0 HH12 ARG A 59 -12.744 2.366 -8.257 1.00 20.51 H new ATOM 0 HH21 ARG A 59 -10.819 4.476 -6.166 1.00 72.40 H new ATOM 0 HH22 ARG A 59 -12.390 3.705 -6.412 1.00 72.40 H new ATOM 878 N ARG A 60 -5.712 0.895 -10.683 1.00 30.24 N ATOM 879 CA ARG A 60 -5.099 0.697 -11.985 1.00 23.40 C ATOM 880 C ARG A 60 -6.179 0.363 -12.984 1.00 25.53 C ATOM 881 O ARG A 60 -7.002 -0.522 -12.728 1.00 52.02 O ATOM 882 CB ARG A 60 -4.015 -0.402 -12.000 1.00 23.00 C ATOM 883 CG ARG A 60 -4.481 -1.762 -11.526 1.00 15.11 C ATOM 884 CD ARG A 60 -3.512 -2.872 -11.911 1.00 72.54 C ATOM 885 NE ARG A 60 -2.134 -2.645 -11.458 1.00 53.14 N ATOM 886 CZ ARG A 60 -1.254 -3.611 -11.165 1.00 61.42 C ATOM 887 NH1 ARG A 60 -1.640 -4.893 -11.105 1.00 20.32 N ATOM 888 NH2 ARG A 60 0.004 -3.279 -10.911 1.00 12.40 N ATOM 0 H ARG A 60 -6.543 0.325 -10.527 1.00 30.24 H new ATOM 0 HA ARG A 60 -4.591 1.626 -12.246 1.00 23.40 H new ATOM 0 HB2 ARG A 60 -3.631 -0.499 -13.015 1.00 23.00 H new ATOM 0 HB3 ARG A 60 -3.183 -0.080 -11.374 1.00 23.00 H new ATOM 0 HG2 ARG A 60 -4.599 -1.746 -10.443 1.00 15.11 H new ATOM 0 HG3 ARG A 60 -5.462 -1.976 -11.951 1.00 15.11 H new ATOM 0 HD2 ARG A 60 -3.870 -3.814 -11.495 1.00 72.54 H new ATOM 0 HD3 ARG A 60 -3.514 -2.982 -12.995 1.00 72.54 H new ATOM 0 HE ARG A 60 -1.823 -1.678 -11.359 1.00 53.14 H new ATOM 0 HH11 ARG A 60 -2.613 -5.142 -11.283 1.00 20.32 H new ATOM 0 HH12 ARG A 60 -0.961 -5.620 -10.881 1.00 20.32 H new ATOM 0 HH21 ARG A 60 0.289 -2.300 -10.940 1.00 12.40 H new ATOM 0 HH22 ARG A 60 0.687 -4.002 -10.686 1.00 12.40 H new ATOM 902 N ALA A 61 -6.227 1.124 -14.073 1.00 4.53 N ATOM 903 CA ALA A 61 -7.180 0.926 -15.175 1.00 5.42 C ATOM 904 C ALA A 61 -8.639 1.046 -14.704 1.00 1.43 C ATOM 905 O ALA A 61 -9.561 0.549 -15.361 1.00 65.24 O ATOM 906 CB ALA A 61 -6.930 -0.420 -15.841 1.00 2.13 C ATOM 0 H ALA A 61 -5.596 1.911 -14.223 1.00 4.53 H new ATOM 0 HA ALA A 61 -7.019 1.719 -15.905 1.00 5.42 H new ATOM 0 HB1 ALA A 61 -7.640 -0.560 -16.656 1.00 2.13 H new ATOM 0 HB2 ALA A 61 -5.914 -0.448 -16.235 1.00 2.13 H new ATOM 0 HB3 ALA A 61 -7.057 -1.217 -15.109 1.00 2.13 H new ATOM 912 N GLY A 62 -8.832 1.741 -13.591 1.00 52.21 N ATOM 913 CA GLY A 62 -10.153 1.899 -13.017 1.00 72.21 C ATOM 914 C GLY A 62 -10.440 0.878 -11.929 1.00 34.43 C ATOM 915 O GLY A 62 -11.331 1.075 -11.100 1.00 70.13 O ATOM 0 H GLY A 62 -8.087 2.203 -13.070 1.00 52.21 H new ATOM 0 HA2 GLY A 62 -10.248 2.903 -12.603 1.00 72.21 H new ATOM 0 HA3 GLY A 62 -10.901 1.807 -13.804 1.00 72.21 H new ATOM 919 N GLY A 63 -9.627 -0.151 -11.870 1.00 4.44 N ATOM 920 CA GLY A 63 -9.863 -1.235 -10.964 1.00 60.15 C ATOM 921 C GLY A 63 -9.203 -1.026 -9.642 1.00 31.01 C ATOM 922 O GLY A 63 -8.155 -0.357 -9.556 1.00 11.44 O ATOM 0 H GLY A 63 -8.792 -0.254 -12.446 1.00 4.44 H new ATOM 0 HA2 GLY A 63 -10.936 -1.354 -10.816 1.00 60.15 H new ATOM 0 HA3 GLY A 63 -9.497 -2.161 -11.407 1.00 60.15 H new ATOM 926 N VAL A 64 -9.805 -1.570 -8.617 1.00 13.32 N ATOM 927 CA VAL A 64 -9.270 -1.492 -7.291 1.00 74.13 C ATOM 928 C VAL A 64 -8.527 -2.785 -7.020 1.00 12.15 C ATOM 929 O VAL A 64 -9.109 -3.881 -7.088 1.00 22.22 O ATOM 930 CB VAL A 64 -10.394 -1.321 -6.232 1.00 5.13 C ATOM 931 CG1 VAL A 64 -9.817 -1.151 -4.839 1.00 4.14 C ATOM 932 CG2 VAL A 64 -11.294 -0.151 -6.574 1.00 53.11 C ATOM 0 H VAL A 64 -10.685 -2.082 -8.683 1.00 13.32 H new ATOM 0 HA VAL A 64 -8.611 -0.626 -7.220 1.00 74.13 H new ATOM 0 HB VAL A 64 -10.993 -2.231 -6.245 1.00 5.13 H new ATOM 0 HG11 VAL A 64 -10.629 -1.034 -4.121 1.00 4.14 H new ATOM 0 HG12 VAL A 64 -9.227 -2.030 -4.580 1.00 4.14 H new ATOM 0 HG13 VAL A 64 -9.180 -0.267 -4.814 1.00 4.14 H new ATOM 0 HG21 VAL A 64 -12.071 -0.056 -5.816 1.00 53.11 H new ATOM 0 HG22 VAL A 64 -10.704 0.765 -6.606 1.00 53.11 H new ATOM 0 HG23 VAL A 64 -11.756 -0.319 -7.547 1.00 53.11 H new ATOM 942 N VAL A 65 -7.264 -2.659 -6.740 1.00 40.21 N ATOM 943 CA VAL A 65 -6.396 -3.788 -6.493 1.00 44.03 C ATOM 944 C VAL A 65 -5.539 -3.514 -5.291 1.00 64.12 C ATOM 945 O VAL A 65 -5.388 -2.370 -4.875 1.00 61.21 O ATOM 946 CB VAL A 65 -5.493 -4.116 -7.722 1.00 73.54 C ATOM 947 CG1 VAL A 65 -6.319 -4.679 -8.861 1.00 60.34 C ATOM 948 CG2 VAL A 65 -4.753 -2.884 -8.192 1.00 24.21 C ATOM 0 H VAL A 65 -6.793 -1.757 -6.674 1.00 40.21 H new ATOM 0 HA VAL A 65 -7.029 -4.656 -6.311 1.00 44.03 H new ATOM 0 HB VAL A 65 -4.766 -4.865 -7.407 1.00 73.54 H new ATOM 0 HG11 VAL A 65 -5.669 -4.900 -9.707 1.00 60.34 H new ATOM 0 HG12 VAL A 65 -6.814 -5.594 -8.534 1.00 60.34 H new ATOM 0 HG13 VAL A 65 -7.070 -3.948 -9.162 1.00 60.34 H new ATOM 0 HG21 VAL A 65 -4.130 -3.139 -9.050 1.00 24.21 H new ATOM 0 HG22 VAL A 65 -5.471 -2.116 -8.480 1.00 24.21 H new ATOM 0 HG23 VAL A 65 -4.124 -2.508 -7.386 1.00 24.21 H new ATOM 958 N ILE A 66 -5.007 -4.547 -4.728 1.00 43.11 N ATOM 959 CA ILE A 66 -4.176 -4.442 -3.562 1.00 34.14 C ATOM 960 C ILE A 66 -2.901 -5.236 -3.811 1.00 21.10 C ATOM 961 O ILE A 66 -2.966 -6.371 -4.292 1.00 42.44 O ATOM 962 CB ILE A 66 -4.920 -4.978 -2.285 1.00 34.04 C ATOM 963 CG1 ILE A 66 -6.200 -4.148 -2.040 1.00 33.05 C ATOM 964 CG2 ILE A 66 -4.009 -4.933 -1.053 1.00 62.43 C ATOM 965 CD1 ILE A 66 -7.045 -4.582 -0.864 1.00 10.13 C ATOM 0 H ILE A 66 -5.135 -5.502 -5.064 1.00 43.11 H new ATOM 0 HA ILE A 66 -3.936 -3.395 -3.379 1.00 34.14 H new ATOM 0 HB ILE A 66 -5.194 -6.019 -2.457 1.00 34.04 H new ATOM 0 HG12 ILE A 66 -5.914 -3.106 -1.894 1.00 33.05 H new ATOM 0 HG13 ILE A 66 -6.814 -4.187 -2.940 1.00 33.05 H new ATOM 0 HG21 ILE A 66 -4.551 -5.310 -0.186 1.00 62.43 H new ATOM 0 HG22 ILE A 66 -3.129 -5.552 -1.228 1.00 62.43 H new ATOM 0 HG23 ILE A 66 -3.698 -3.905 -0.868 1.00 62.43 H new ATOM 0 HD11 ILE A 66 -7.917 -3.933 -0.783 1.00 10.13 H new ATOM 0 HD12 ILE A 66 -7.371 -5.612 -1.011 1.00 10.13 H new ATOM 0 HD13 ILE A 66 -6.457 -4.515 0.051 1.00 10.13 H new ATOM 977 N PRO A 67 -1.726 -4.629 -3.587 1.00 24.35 N ATOM 978 CA PRO A 67 -0.441 -5.323 -3.720 1.00 32.01 C ATOM 979 C PRO A 67 -0.392 -6.584 -2.847 1.00 62.33 C ATOM 980 O PRO A 67 -0.722 -6.537 -1.658 1.00 44.02 O ATOM 981 CB PRO A 67 0.563 -4.294 -3.199 1.00 22.23 C ATOM 982 CG PRO A 67 -0.082 -2.981 -3.451 1.00 5.34 C ATOM 983 CD PRO A 67 -1.546 -3.205 -3.219 1.00 4.42 C ATOM 0 HA PRO A 67 -0.249 -5.654 -4.741 1.00 32.01 H new ATOM 0 HB2 PRO A 67 0.765 -4.439 -2.138 1.00 22.23 H new ATOM 0 HB3 PRO A 67 1.518 -4.373 -3.719 1.00 22.23 H new ATOM 0 HG2 PRO A 67 0.309 -2.216 -2.780 1.00 5.34 H new ATOM 0 HG3 PRO A 67 0.107 -2.640 -4.469 1.00 5.34 H new ATOM 0 HD2 PRO A 67 -1.824 -3.018 -2.182 1.00 4.42 H new ATOM 0 HD3 PRO A 67 -2.158 -2.548 -3.837 1.00 4.42 H new ATOM 991 N GLN A 68 0.033 -7.702 -3.434 1.00 72.30 N ATOM 992 CA GLN A 68 0.112 -8.970 -2.732 1.00 40.11 C ATOM 993 C GLN A 68 1.142 -8.919 -1.621 1.00 61.04 C ATOM 994 O GLN A 68 1.020 -9.606 -0.627 1.00 43.25 O ATOM 995 CB GLN A 68 0.392 -10.080 -3.732 1.00 5.54 C ATOM 996 CG GLN A 68 0.530 -11.478 -3.155 1.00 61.00 C ATOM 997 CD GLN A 68 0.368 -12.555 -4.210 1.00 52.04 C ATOM 998 OE1 GLN A 68 -0.470 -12.297 -5.189 1.00 54.02 O flip ATOM 999 NE2 GLN A 68 0.965 -13.628 -4.124 1.00 24.43 N flip ATOM 0 H GLN A 68 0.331 -7.748 -4.409 1.00 72.30 H new ATOM 0 HA GLN A 68 -0.843 -9.179 -2.250 1.00 40.11 H new ATOM 0 HB2 GLN A 68 -0.412 -10.090 -4.468 1.00 5.54 H new ATOM 0 HB3 GLN A 68 1.310 -9.837 -4.267 1.00 5.54 H new ATOM 0 HG2 GLN A 68 1.507 -11.579 -2.683 1.00 61.00 H new ATOM 0 HG3 GLN A 68 -0.217 -11.622 -2.375 1.00 61.00 H new ATOM 0 HE21 GLN A 68 1.608 -13.793 -3.350 1.00 24.43 H new ATOM 0 HE22 GLN A 68 0.816 -14.352 -4.827 1.00 24.43 H new ATOM 1008 N VAL A 69 2.108 -8.039 -1.783 1.00 15.04 N ATOM 1009 CA VAL A 69 3.175 -7.835 -0.805 1.00 52.14 C ATOM 1010 C VAL A 69 2.676 -7.137 0.485 1.00 72.12 C ATOM 1011 O VAL A 69 3.442 -6.903 1.412 1.00 62.24 O ATOM 1012 CB VAL A 69 4.346 -7.035 -1.415 1.00 13.22 C ATOM 1013 CG1 VAL A 69 4.987 -7.812 -2.561 1.00 3.12 C ATOM 1014 CG2 VAL A 69 3.874 -5.671 -1.897 1.00 24.32 C ATOM 0 H VAL A 69 2.182 -7.436 -2.602 1.00 15.04 H new ATOM 0 HA VAL A 69 3.527 -8.829 -0.527 1.00 52.14 H new ATOM 0 HB VAL A 69 5.095 -6.884 -0.638 1.00 13.22 H new ATOM 0 HG11 VAL A 69 5.810 -7.232 -2.978 1.00 3.12 H new ATOM 0 HG12 VAL A 69 5.366 -8.764 -2.188 1.00 3.12 H new ATOM 0 HG13 VAL A 69 4.243 -7.996 -3.336 1.00 3.12 H new ATOM 0 HG21 VAL A 69 4.715 -5.124 -2.323 1.00 24.32 H new ATOM 0 HG22 VAL A 69 3.103 -5.800 -2.657 1.00 24.32 H new ATOM 0 HG23 VAL A 69 3.465 -5.110 -1.057 1.00 24.32 H new ATOM 1024 N PHE A 70 1.394 -6.783 0.514 1.00 55.43 N ATOM 1025 CA PHE A 70 0.772 -6.238 1.714 1.00 70.33 C ATOM 1026 C PHE A 70 0.280 -7.379 2.589 1.00 63.20 C ATOM 1027 O PHE A 70 -0.141 -7.198 3.743 1.00 13.52 O ATOM 1028 CB PHE A 70 -0.368 -5.268 1.363 1.00 5.41 C ATOM 1029 CG PHE A 70 0.080 -3.841 1.132 1.00 1.22 C ATOM 1030 CD1 PHE A 70 1.082 -3.531 0.230 1.00 33.14 C ATOM 1031 CD2 PHE A 70 -0.496 -2.811 1.857 1.00 25.32 C ATOM 1032 CE1 PHE A 70 1.487 -2.219 0.049 1.00 60.11 C ATOM 1033 CE2 PHE A 70 -0.097 -1.513 1.683 1.00 52.41 C ATOM 1034 CZ PHE A 70 0.889 -1.211 0.781 1.00 62.00 C ATOM 0 H PHE A 70 0.764 -6.865 -0.284 1.00 55.43 H new ATOM 0 HA PHE A 70 1.515 -5.664 2.268 1.00 70.33 H new ATOM 0 HB2 PHE A 70 -0.873 -5.628 0.467 1.00 5.41 H new ATOM 0 HB3 PHE A 70 -1.102 -5.281 2.169 1.00 5.41 H new ATOM 0 HD1 PHE A 70 1.553 -4.319 -0.338 1.00 33.14 H new ATOM 0 HD2 PHE A 70 -1.274 -3.036 2.572 1.00 25.32 H new ATOM 0 HE1 PHE A 70 2.267 -1.985 -0.661 1.00 60.11 H new ATOM 0 HE2 PHE A 70 -0.561 -0.725 2.258 1.00 52.41 H new ATOM 0 HZ PHE A 70 1.199 -0.186 0.642 1.00 62.00 H new ATOM 1044 N PHE A 71 0.353 -8.543 2.038 1.00 71.10 N ATOM 1045 CA PHE A 71 0.015 -9.737 2.709 1.00 65.40 C ATOM 1046 C PHE A 71 1.274 -10.543 2.805 1.00 72.22 C ATOM 1047 O PHE A 71 2.199 -10.350 2.026 1.00 44.11 O ATOM 1048 CB PHE A 71 -1.057 -10.527 1.937 1.00 74.51 C ATOM 1049 CG PHE A 71 -2.372 -9.811 1.794 1.00 12.34 C ATOM 1050 CD1 PHE A 71 -2.611 -8.977 0.716 1.00 74.25 C ATOM 1051 CD2 PHE A 71 -3.367 -9.972 2.742 1.00 0.33 C ATOM 1052 CE1 PHE A 71 -3.817 -8.321 0.585 1.00 0.43 C ATOM 1053 CE2 PHE A 71 -4.577 -9.320 2.618 1.00 42.34 C ATOM 1054 CZ PHE A 71 -4.799 -8.492 1.537 1.00 73.11 C ATOM 0 H PHE A 71 0.661 -8.687 1.076 1.00 71.10 H new ATOM 0 HA PHE A 71 -0.398 -9.516 3.693 1.00 65.40 H new ATOM 0 HB2 PHE A 71 -0.674 -10.760 0.944 1.00 74.51 H new ATOM 0 HB3 PHE A 71 -1.227 -11.477 2.444 1.00 74.51 H new ATOM 0 HD1 PHE A 71 -1.844 -8.838 -0.032 1.00 74.25 H new ATOM 0 HD2 PHE A 71 -3.194 -10.617 3.591 1.00 0.33 H new ATOM 0 HE1 PHE A 71 -3.992 -7.674 -0.262 1.00 0.43 H new ATOM 0 HE2 PHE A 71 -5.346 -9.457 3.363 1.00 42.34 H new ATOM 0 HZ PHE A 71 -5.743 -7.977 1.437 1.00 73.11 H new ATOM 1064 N THR A 72 1.333 -11.399 3.752 1.00 32.02 N ATOM 1065 CA THR A 72 2.454 -12.245 3.906 1.00 55.31 C ATOM 1066 C THR A 72 2.315 -13.412 2.933 1.00 21.43 C ATOM 1067 O THR A 72 1.256 -13.572 2.293 1.00 11.43 O ATOM 1068 CB THR A 72 2.553 -12.752 5.355 1.00 42.40 C ATOM 1069 OG1 THR A 72 1.333 -13.435 5.716 1.00 42.15 O ATOM 1070 CG2 THR A 72 2.760 -11.598 6.314 1.00 65.11 C ATOM 0 H THR A 72 0.600 -11.534 4.448 1.00 32.02 H new ATOM 0 HA THR A 72 3.368 -11.693 3.688 1.00 55.31 H new ATOM 0 HB THR A 72 3.402 -13.432 5.420 1.00 42.40 H new ATOM 0 HG1 THR A 72 0.607 -12.783 5.805 1.00 42.15 H new ATOM 0 HG21 THR A 72 2.827 -11.979 7.333 1.00 65.11 H new ATOM 0 HG22 THR A 72 3.682 -11.075 6.061 1.00 65.11 H new ATOM 0 HG23 THR A 72 1.920 -10.908 6.240 1.00 65.11 H new ATOM 1078 N ASN A 73 3.335 -14.238 2.847 1.00 41.21 N ATOM 1079 CA ASN A 73 3.363 -15.376 1.916 1.00 1.51 C ATOM 1080 C ASN A 73 2.189 -16.368 2.134 1.00 41.31 C ATOM 1081 O ASN A 73 1.821 -17.117 1.233 1.00 33.10 O ATOM 1082 CB ASN A 73 4.734 -16.081 1.987 1.00 22.14 C ATOM 1083 CG ASN A 73 4.891 -17.215 0.986 1.00 62.31 C ATOM 1084 OD1 ASN A 73 5.246 -16.983 -0.173 1.00 22.53 O ATOM 1085 ND2 ASN A 73 4.687 -18.430 1.418 1.00 75.41 N ATOM 0 H ASN A 73 4.177 -14.150 3.416 1.00 41.21 H new ATOM 0 HA ASN A 73 3.224 -14.981 0.910 1.00 1.51 H new ATOM 0 HB2 ASN A 73 5.520 -15.346 1.816 1.00 22.14 H new ATOM 0 HB3 ASN A 73 4.879 -16.474 2.993 1.00 22.14 H new ATOM 0 HD21 ASN A 73 4.821 -19.223 0.791 1.00 75.41 H new ATOM 0 HD22 ASN A 73 4.394 -18.586 2.382 1.00 75.41 H new ATOM 1092 N SER A 74 1.584 -16.341 3.314 1.00 74.50 N ATOM 1093 CA SER A 74 0.464 -17.211 3.614 1.00 40.55 C ATOM 1094 C SER A 74 -0.895 -16.552 3.216 1.00 1.51 C ATOM 1095 O SER A 74 -1.959 -17.168 3.344 1.00 53.23 O ATOM 1096 CB SER A 74 0.497 -17.604 5.103 1.00 63.01 C ATOM 1097 OG SER A 74 -0.417 -18.651 5.419 1.00 14.11 O ATOM 0 H SER A 74 1.854 -15.722 4.079 1.00 74.50 H new ATOM 0 HA SER A 74 0.554 -18.118 3.017 1.00 40.55 H new ATOM 0 HB2 SER A 74 1.507 -17.917 5.369 1.00 63.01 H new ATOM 0 HB3 SER A 74 0.264 -16.729 5.710 1.00 63.01 H new ATOM 0 HG SER A 74 -1.258 -18.508 4.937 1.00 14.11 H new ATOM 1103 N GLY A 75 -0.852 -15.311 2.725 1.00 54.04 N ATOM 1104 CA GLY A 75 -2.060 -14.637 2.284 1.00 3.12 C ATOM 1105 C GLY A 75 -2.752 -13.856 3.383 1.00 62.33 C ATOM 1106 O GLY A 75 -3.914 -13.480 3.241 1.00 24.44 O ATOM 0 H GLY A 75 0.002 -14.762 2.626 1.00 54.04 H new ATOM 0 HA2 GLY A 75 -1.811 -13.958 1.468 1.00 3.12 H new ATOM 0 HA3 GLY A 75 -2.753 -15.376 1.883 1.00 3.12 H new ATOM 1110 N GLN A 76 -2.058 -13.620 4.471 1.00 50.14 N ATOM 1111 CA GLN A 76 -2.617 -12.849 5.568 1.00 4.41 C ATOM 1112 C GLN A 76 -1.860 -11.547 5.686 1.00 64.23 C ATOM 1113 O GLN A 76 -0.649 -11.534 5.511 1.00 52.45 O ATOM 1114 CB GLN A 76 -2.606 -13.660 6.890 1.00 30.20 C ATOM 1115 CG GLN A 76 -3.074 -12.906 8.162 1.00 61.11 C ATOM 1116 CD GLN A 76 -4.470 -12.267 8.064 1.00 15.25 C ATOM 1117 OE1 GLN A 76 -4.913 -11.848 7.001 1.00 21.34 O ATOM 1118 NE2 GLN A 76 -5.155 -12.168 9.173 1.00 43.04 N ATOM 0 H GLN A 76 -1.105 -13.949 4.625 1.00 50.14 H new ATOM 0 HA GLN A 76 -3.664 -12.624 5.363 1.00 4.41 H new ATOM 0 HB2 GLN A 76 -3.240 -14.537 6.759 1.00 30.20 H new ATOM 0 HB3 GLN A 76 -1.592 -14.023 7.061 1.00 30.20 H new ATOM 0 HG2 GLN A 76 -3.068 -13.602 9.001 1.00 61.11 H new ATOM 0 HG3 GLN A 76 -2.349 -12.125 8.390 1.00 61.11 H new ATOM 0 HE21 GLN A 76 -4.766 -12.524 10.046 1.00 43.04 H new ATOM 0 HE22 GLN A 76 -6.078 -11.735 9.165 1.00 43.04 H new ATOM 1127 N VAL A 77 -2.566 -10.478 5.991 1.00 35.25 N ATOM 1128 CA VAL A 77 -1.997 -9.132 6.038 1.00 62.24 C ATOM 1129 C VAL A 77 -0.897 -9.039 7.110 1.00 1.22 C ATOM 1130 O VAL A 77 -0.955 -9.726 8.151 1.00 3.21 O ATOM 1131 CB VAL A 77 -3.122 -8.070 6.293 1.00 4.44 C ATOM 1132 CG1 VAL A 77 -3.802 -8.295 7.628 1.00 53.11 C ATOM 1133 CG2 VAL A 77 -2.601 -6.640 6.178 1.00 33.13 C ATOM 0 H VAL A 77 -3.560 -10.511 6.216 1.00 35.25 H new ATOM 0 HA VAL A 77 -1.539 -8.918 5.072 1.00 62.24 H new ATOM 0 HB VAL A 77 -3.866 -8.206 5.508 1.00 4.44 H new ATOM 0 HG11 VAL A 77 -4.576 -7.542 7.773 1.00 53.11 H new ATOM 0 HG12 VAL A 77 -4.253 -9.287 7.644 1.00 53.11 H new ATOM 0 HG13 VAL A 77 -3.066 -8.218 8.429 1.00 53.11 H new ATOM 0 HG21 VAL A 77 -3.416 -5.940 6.363 1.00 33.13 H new ATOM 0 HG22 VAL A 77 -1.812 -6.480 6.913 1.00 33.13 H new ATOM 0 HG23 VAL A 77 -2.203 -6.477 5.176 1.00 33.13 H new ATOM 1143 N VAL A 78 0.132 -8.261 6.818 1.00 23.15 N ATOM 1144 CA VAL A 78 1.246 -8.075 7.737 1.00 44.44 C ATOM 1145 C VAL A 78 0.743 -7.356 8.989 1.00 24.22 C ATOM 1146 O VAL A 78 0.061 -6.344 8.890 1.00 14.33 O ATOM 1147 CB VAL A 78 2.382 -7.237 7.095 1.00 41.50 C ATOM 1148 CG1 VAL A 78 3.607 -7.160 8.003 1.00 5.51 C ATOM 1149 CG2 VAL A 78 2.753 -7.763 5.721 1.00 3.22 C ATOM 0 H VAL A 78 0.220 -7.743 5.944 1.00 23.15 H new ATOM 0 HA VAL A 78 1.648 -9.056 7.988 1.00 44.44 H new ATOM 0 HB VAL A 78 2.001 -6.223 6.970 1.00 41.50 H new ATOM 0 HG11 VAL A 78 4.382 -6.565 7.519 1.00 5.51 H new ATOM 0 HG12 VAL A 78 3.330 -6.695 8.949 1.00 5.51 H new ATOM 0 HG13 VAL A 78 3.985 -8.165 8.190 1.00 5.51 H new ATOM 0 HG21 VAL A 78 3.552 -7.152 5.301 1.00 3.22 H new ATOM 0 HG22 VAL A 78 3.092 -8.795 5.806 1.00 3.22 H new ATOM 0 HG23 VAL A 78 1.882 -7.720 5.068 1.00 3.22 H new ATOM 1159 N LYS A 79 1.095 -7.874 10.143 1.00 31.21 N ATOM 1160 CA LYS A 79 0.623 -7.343 11.423 1.00 71.21 C ATOM 1161 C LYS A 79 1.056 -5.891 11.682 1.00 64.23 C ATOM 1162 O LYS A 79 0.322 -5.117 12.273 1.00 72.51 O ATOM 1163 CB LYS A 79 1.059 -8.246 12.567 1.00 42.40 C ATOM 1164 CG LYS A 79 2.550 -8.421 12.639 1.00 43.55 C ATOM 1165 CD LYS A 79 2.965 -9.378 13.740 1.00 13.22 C ATOM 1166 CE LYS A 79 2.622 -8.843 15.119 1.00 43.22 C ATOM 1167 NZ LYS A 79 2.973 -9.802 16.179 1.00 63.12 N ATOM 0 H LYS A 79 1.717 -8.677 10.232 1.00 31.21 H new ATOM 0 HA LYS A 79 -0.465 -7.329 11.367 1.00 71.21 H new ATOM 0 HB2 LYS A 79 0.701 -7.829 13.509 1.00 42.40 H new ATOM 0 HB3 LYS A 79 0.589 -9.223 12.452 1.00 42.40 H new ATOM 0 HG2 LYS A 79 2.917 -8.791 11.682 1.00 43.55 H new ATOM 0 HG3 LYS A 79 3.020 -7.452 12.807 1.00 43.55 H new ATOM 0 HD2 LYS A 79 2.471 -10.338 13.591 1.00 13.22 H new ATOM 0 HD3 LYS A 79 4.038 -9.558 13.678 1.00 13.22 H new ATOM 0 HE2 LYS A 79 3.151 -7.905 15.287 1.00 43.22 H new ATOM 0 HE3 LYS A 79 1.556 -8.621 15.168 1.00 43.22 H new ATOM 0 HZ1 LYS A 79 2.724 -9.401 17.106 1.00 63.12 H new ATOM 0 HZ2 LYS A 79 2.449 -10.688 16.033 1.00 63.12 H new ATOM 0 HZ3 LYS A 79 3.994 -9.995 16.148 1.00 63.12 H new ATOM 1181 N SER A 80 2.232 -5.529 11.218 1.00 3.33 N ATOM 1182 CA SER A 80 2.772 -4.202 11.448 1.00 60.13 C ATOM 1183 C SER A 80 2.280 -3.209 10.374 1.00 31.31 C ATOM 1184 O SER A 80 2.518 -2.001 10.467 1.00 65.10 O ATOM 1185 CB SER A 80 4.293 -4.296 11.410 1.00 62.21 C ATOM 1186 OG SER A 80 4.748 -5.400 12.186 1.00 40.54 O ATOM 0 H SER A 80 2.840 -6.141 10.673 1.00 3.33 H new ATOM 0 HA SER A 80 2.434 -3.835 12.417 1.00 60.13 H new ATOM 0 HB2 SER A 80 4.630 -4.406 10.379 1.00 62.21 H new ATOM 0 HB3 SER A 80 4.729 -3.373 11.791 1.00 62.21 H new ATOM 0 HG SER A 80 5.726 -5.445 12.148 1.00 40.54 H new ATOM 1192 N LEU A 81 1.583 -3.727 9.380 1.00 21.33 N ATOM 1193 CA LEU A 81 1.137 -2.934 8.250 1.00 4.40 C ATOM 1194 C LEU A 81 0.085 -1.849 8.611 1.00 3.34 C ATOM 1195 O LEU A 81 0.258 -0.687 8.215 1.00 42.10 O ATOM 1196 CB LEU A 81 0.738 -3.842 7.089 1.00 34.25 C ATOM 1197 CG LEU A 81 0.328 -3.207 5.774 1.00 52.50 C ATOM 1198 CD1 LEU A 81 0.613 -4.196 4.688 1.00 34.33 C ATOM 1199 CD2 LEU A 81 -1.161 -2.878 5.760 1.00 53.12 C ATOM 0 H LEU A 81 1.310 -4.709 9.333 1.00 21.33 H new ATOM 0 HA LEU A 81 1.985 -2.338 7.913 1.00 4.40 H new ATOM 0 HB2 LEU A 81 1.577 -4.508 6.887 1.00 34.25 H new ATOM 0 HB3 LEU A 81 -0.090 -4.466 7.427 1.00 34.25 H new ATOM 0 HG LEU A 81 0.882 -2.279 5.632 1.00 52.50 H new ATOM 0 HD11 LEU A 81 0.329 -3.771 3.725 1.00 34.33 H new ATOM 0 HD12 LEU A 81 1.677 -4.432 4.681 1.00 34.33 H new ATOM 0 HD13 LEU A 81 0.041 -5.106 4.866 1.00 34.33 H new ATOM 0 HD21 LEU A 81 -1.424 -2.424 4.805 1.00 53.12 H new ATOM 0 HD22 LEU A 81 -1.737 -3.793 5.898 1.00 53.12 H new ATOM 0 HD23 LEU A 81 -1.387 -2.181 6.567 1.00 53.12 H new ATOM 1211 N PRO A 82 -1.020 -2.182 9.364 1.00 13.31 N ATOM 1212 CA PRO A 82 -2.005 -1.170 9.797 1.00 40.21 C ATOM 1213 C PRO A 82 -1.326 -0.008 10.541 1.00 44.42 C ATOM 1214 O PRO A 82 -1.725 1.165 10.414 1.00 64.44 O ATOM 1215 CB PRO A 82 -2.904 -1.954 10.760 1.00 44.23 C ATOM 1216 CG PRO A 82 -2.838 -3.354 10.280 1.00 25.44 C ATOM 1217 CD PRO A 82 -1.435 -3.549 9.793 1.00 54.12 C ATOM 0 HA PRO A 82 -2.538 -0.719 8.960 1.00 40.21 H new ATOM 0 HB2 PRO A 82 -2.551 -1.871 11.788 1.00 44.23 H new ATOM 0 HB3 PRO A 82 -3.927 -1.577 10.743 1.00 44.23 H new ATOM 0 HG2 PRO A 82 -3.075 -4.054 11.081 1.00 25.44 H new ATOM 0 HG3 PRO A 82 -3.558 -3.528 9.480 1.00 25.44 H new ATOM 0 HD2 PRO A 82 -0.788 -3.936 10.580 1.00 54.12 H new ATOM 0 HD3 PRO A 82 -1.392 -4.259 8.967 1.00 54.12 H new ATOM 1225 N GLY A 83 -0.268 -0.344 11.269 1.00 23.33 N ATOM 1226 CA GLY A 83 0.482 0.627 12.023 1.00 31.10 C ATOM 1227 C GLY A 83 1.173 1.644 11.142 1.00 24.55 C ATOM 1228 O GLY A 83 1.121 2.852 11.423 1.00 64.41 O ATOM 0 H GLY A 83 0.086 -1.298 11.347 1.00 23.33 H new ATOM 0 HA2 GLY A 83 -0.188 1.144 12.710 1.00 31.10 H new ATOM 0 HA3 GLY A 83 1.227 0.113 12.630 1.00 31.10 H new ATOM 1232 N LEU A 84 1.786 1.177 10.054 1.00 33.02 N ATOM 1233 CA LEU A 84 2.508 2.074 9.162 1.00 45.41 C ATOM 1234 C LEU A 84 1.526 3.003 8.471 1.00 65.52 C ATOM 1235 O LEU A 84 1.766 4.194 8.355 1.00 43.53 O ATOM 1236 CB LEU A 84 3.419 1.304 8.145 1.00 43.41 C ATOM 1237 CG LEU A 84 2.755 0.597 6.937 1.00 0.13 C ATOM 1238 CD1 LEU A 84 2.578 1.552 5.747 1.00 33.54 C ATOM 1239 CD2 LEU A 84 3.536 -0.638 6.523 1.00 23.44 C ATOM 0 H LEU A 84 1.796 0.196 9.775 1.00 33.02 H new ATOM 0 HA LEU A 84 3.191 2.677 9.760 1.00 45.41 H new ATOM 0 HB2 LEU A 84 4.148 2.013 7.753 1.00 43.41 H new ATOM 0 HB3 LEU A 84 3.975 0.551 8.704 1.00 43.41 H new ATOM 0 HG LEU A 84 1.763 0.279 7.258 1.00 0.13 H new ATOM 0 HD11 LEU A 84 2.109 1.019 4.920 1.00 33.54 H new ATOM 0 HD12 LEU A 84 1.947 2.390 6.043 1.00 33.54 H new ATOM 0 HD13 LEU A 84 3.552 1.926 5.432 1.00 33.54 H new ATOM 0 HD21 LEU A 84 3.044 -1.111 5.673 1.00 23.44 H new ATOM 0 HD22 LEU A 84 4.549 -0.351 6.242 1.00 23.44 H new ATOM 0 HD23 LEU A 84 3.576 -1.340 7.356 1.00 23.44 H new ATOM 1251 N LEU A 85 0.387 2.459 8.071 1.00 72.35 N ATOM 1252 CA LEU A 85 -0.624 3.246 7.387 1.00 60.52 C ATOM 1253 C LEU A 85 -1.137 4.350 8.283 1.00 32.10 C ATOM 1254 O LEU A 85 -1.400 5.447 7.826 1.00 25.22 O ATOM 1255 CB LEU A 85 -1.782 2.374 6.921 1.00 44.35 C ATOM 1256 CG LEU A 85 -1.451 1.299 5.891 1.00 73.12 C ATOM 1257 CD1 LEU A 85 -2.682 0.477 5.599 1.00 52.50 C ATOM 1258 CD2 LEU A 85 -0.923 1.923 4.603 1.00 30.12 C ATOM 0 H LEU A 85 0.141 1.479 8.208 1.00 72.35 H new ATOM 0 HA LEU A 85 -0.156 3.691 6.509 1.00 60.52 H new ATOM 0 HB2 LEU A 85 -2.216 1.888 7.795 1.00 44.35 H new ATOM 0 HB3 LEU A 85 -2.551 3.023 6.502 1.00 44.35 H new ATOM 0 HG LEU A 85 -0.673 0.655 6.301 1.00 73.12 H new ATOM 0 HD11 LEU A 85 -2.441 -0.290 4.863 1.00 52.50 H new ATOM 0 HD12 LEU A 85 -3.029 0.002 6.517 1.00 52.50 H new ATOM 0 HD13 LEU A 85 -3.467 1.124 5.206 1.00 52.50 H new ATOM 0 HD21 LEU A 85 -0.694 1.136 3.885 1.00 30.12 H new ATOM 0 HD22 LEU A 85 -1.679 2.588 4.185 1.00 30.12 H new ATOM 0 HD23 LEU A 85 -0.018 2.492 4.818 1.00 30.12 H new ATOM 1270 N THR A 86 -1.209 4.062 9.560 1.00 13.50 N ATOM 1271 CA THR A 86 -1.703 5.010 10.540 1.00 32.12 C ATOM 1272 C THR A 86 -0.817 6.286 10.616 1.00 24.34 C ATOM 1273 O THR A 86 -1.334 7.414 10.556 1.00 62.52 O ATOM 1274 CB THR A 86 -1.848 4.336 11.925 1.00 22.40 C ATOM 1275 OG1 THR A 86 -2.755 3.214 11.809 1.00 43.22 O ATOM 1276 CG2 THR A 86 -2.401 5.308 12.960 1.00 61.05 C ATOM 0 H THR A 86 -0.927 3.164 9.954 1.00 13.50 H new ATOM 0 HA THR A 86 -2.691 5.335 10.215 1.00 32.12 H new ATOM 0 HB THR A 86 -0.861 4.007 12.251 1.00 22.40 H new ATOM 0 HG1 THR A 86 -2.291 2.460 11.389 1.00 43.22 H new ATOM 0 HG21 THR A 86 -2.491 4.803 13.922 1.00 61.05 H new ATOM 0 HG22 THR A 86 -1.726 6.158 13.058 1.00 61.05 H new ATOM 0 HG23 THR A 86 -3.383 5.659 12.642 1.00 61.05 H new ATOM 1284 N ILE A 87 0.496 6.107 10.704 1.00 65.34 N ATOM 1285 CA ILE A 87 1.425 7.240 10.785 1.00 13.33 C ATOM 1286 C ILE A 87 1.466 8.043 9.462 1.00 12.55 C ATOM 1287 O ILE A 87 1.479 9.284 9.480 1.00 3.51 O ATOM 1288 CB ILE A 87 2.855 6.797 11.332 1.00 33.04 C ATOM 1289 CG1 ILE A 87 3.900 7.955 11.416 1.00 0.42 C ATOM 1290 CG2 ILE A 87 3.420 5.600 10.579 1.00 1.04 C ATOM 1291 CD1 ILE A 87 4.577 8.355 10.105 1.00 15.54 C ATOM 0 H ILE A 87 0.946 5.192 10.721 1.00 65.34 H new ATOM 0 HA ILE A 87 1.043 7.938 11.530 1.00 13.33 H new ATOM 0 HB ILE A 87 2.668 6.491 12.361 1.00 33.04 H new ATOM 0 HG12 ILE A 87 3.404 8.834 11.826 1.00 0.42 H new ATOM 0 HG13 ILE A 87 4.675 7.666 12.126 1.00 0.42 H new ATOM 0 HG21 ILE A 87 4.395 5.339 10.990 1.00 1.04 H new ATOM 0 HG22 ILE A 87 2.743 4.752 10.683 1.00 1.04 H new ATOM 0 HG23 ILE A 87 3.527 5.851 9.524 1.00 1.04 H new ATOM 0 HD11 ILE A 87 5.280 9.167 10.291 1.00 15.54 H new ATOM 0 HD12 ILE A 87 5.113 7.498 9.696 1.00 15.54 H new ATOM 0 HD13 ILE A 87 3.822 8.685 9.392 1.00 15.54 H new ATOM 1303 N LEU A 88 1.458 7.353 8.324 1.00 1.05 N ATOM 1304 CA LEU A 88 1.428 8.049 7.027 1.00 15.43 C ATOM 1305 C LEU A 88 0.120 8.787 6.818 1.00 32.01 C ATOM 1306 O LEU A 88 0.095 9.868 6.216 1.00 71.24 O ATOM 1307 CB LEU A 88 1.725 7.151 5.834 1.00 20.43 C ATOM 1308 CG LEU A 88 3.188 6.730 5.581 1.00 11.43 C ATOM 1309 CD1 LEU A 88 4.145 7.914 5.595 1.00 12.34 C ATOM 1310 CD2 LEU A 88 3.641 5.650 6.515 1.00 73.11 C ATOM 0 H LEU A 88 1.471 6.335 8.265 1.00 1.05 H new ATOM 0 HA LEU A 88 2.241 8.773 7.078 1.00 15.43 H new ATOM 0 HB2 LEU A 88 1.132 6.243 5.946 1.00 20.43 H new ATOM 0 HB3 LEU A 88 1.365 7.658 4.939 1.00 20.43 H new ATOM 0 HG LEU A 88 3.210 6.313 4.574 1.00 11.43 H new ATOM 0 HD11 LEU A 88 5.161 7.563 5.412 1.00 12.34 H new ATOM 0 HD12 LEU A 88 3.860 8.622 4.816 1.00 12.34 H new ATOM 0 HD13 LEU A 88 4.101 8.406 6.567 1.00 12.34 H new ATOM 0 HD21 LEU A 88 4.677 5.390 6.296 1.00 73.11 H new ATOM 0 HD22 LEU A 88 3.566 6.003 7.543 1.00 73.11 H new ATOM 0 HD23 LEU A 88 3.011 4.770 6.387 1.00 73.11 H new ATOM 1322 N HIS A 89 -0.957 8.204 7.316 1.00 62.50 N ATOM 1323 CA HIS A 89 -2.282 8.807 7.265 1.00 64.53 C ATOM 1324 C HIS A 89 -2.249 10.153 7.977 1.00 42.32 C ATOM 1325 O HIS A 89 -2.758 11.148 7.452 1.00 53.13 O ATOM 1326 CB HIS A 89 -3.298 7.858 7.939 1.00 71.02 C ATOM 1327 CG HIS A 89 -4.682 8.400 8.121 1.00 73.43 C ATOM 1328 ND1 HIS A 89 -5.246 8.642 9.353 1.00 61.15 N ATOM 1329 CD2 HIS A 89 -5.629 8.710 7.213 1.00 65.51 C ATOM 1330 CE1 HIS A 89 -6.477 9.074 9.167 1.00 32.53 C ATOM 1331 NE2 HIS A 89 -6.767 9.139 7.883 1.00 64.33 N ATOM 0 H HIS A 89 -0.938 7.291 7.771 1.00 62.50 H new ATOM 0 HA HIS A 89 -2.584 8.966 6.230 1.00 64.53 H new ATOM 0 HB2 HIS A 89 -3.362 6.946 7.346 1.00 71.02 H new ATOM 0 HB3 HIS A 89 -2.908 7.576 8.917 1.00 71.02 H new ATOM 0 HD2 HIS A 89 -5.520 8.637 6.141 1.00 65.51 H new ATOM 0 HE1 HIS A 89 -7.158 9.340 9.962 1.00 32.53 H new ATOM 0 HE2 HIS A 89 -7.647 9.442 7.467 1.00 64.33 H new ATOM 1339 N ASP A 90 -1.580 10.178 9.130 1.00 41.01 N ATOM 1340 CA ASP A 90 -1.414 11.403 9.925 1.00 42.34 C ATOM 1341 C ASP A 90 -0.582 12.424 9.175 1.00 64.05 C ATOM 1342 O ASP A 90 -0.785 13.626 9.312 1.00 61.33 O ATOM 1343 CB ASP A 90 -0.690 11.119 11.250 1.00 12.24 C ATOM 1344 CG ASP A 90 -1.494 10.419 12.308 1.00 23.11 C ATOM 1345 OD1 ASP A 90 -2.646 10.823 12.592 1.00 51.11 O ATOM 1346 OD2 ASP A 90 -0.962 9.482 12.942 1.00 32.53 O ATOM 0 H ASP A 90 -1.138 9.356 9.541 1.00 41.01 H new ATOM 0 HA ASP A 90 -2.417 11.784 10.117 1.00 42.34 H new ATOM 0 HB2 ASP A 90 0.193 10.516 11.036 1.00 12.24 H new ATOM 0 HB3 ASP A 90 -0.338 12.066 11.658 1.00 12.24 H new ATOM 1351 N GLY A 91 0.333 11.937 8.359 1.00 61.14 N ATOM 1352 CA GLY A 91 1.233 12.812 7.630 1.00 71.14 C ATOM 1353 C GLY A 91 0.633 13.319 6.340 1.00 64.23 C ATOM 1354 O GLY A 91 1.202 14.193 5.692 1.00 34.10 O ATOM 0 H GLY A 91 0.473 10.942 8.184 1.00 61.14 H new ATOM 0 HA2 GLY A 91 1.499 13.660 8.261 1.00 71.14 H new ATOM 0 HA3 GLY A 91 2.156 12.276 7.411 1.00 71.14 H new ATOM 1358 N GLY A 92 -0.504 12.770 5.970 1.00 72.14 N ATOM 1359 CA GLY A 92 -1.170 13.191 4.765 1.00 74.51 C ATOM 1360 C GLY A 92 -0.588 12.543 3.534 1.00 1.20 C ATOM 1361 O GLY A 92 -0.545 13.149 2.470 1.00 65.01 O ATOM 0 H GLY A 92 -0.983 12.033 6.488 1.00 72.14 H new ATOM 0 HA2 GLY A 92 -2.230 12.948 4.834 1.00 74.51 H new ATOM 0 HA3 GLY A 92 -1.097 14.275 4.672 1.00 74.51 H new ATOM 1365 N TYR A 93 -0.137 11.320 3.669 1.00 3.44 N ATOM 1366 CA TYR A 93 0.438 10.609 2.552 1.00 54.44 C ATOM 1367 C TYR A 93 -0.551 9.604 1.976 1.00 73.21 C ATOM 1368 O TYR A 93 -1.117 8.791 2.699 1.00 52.34 O ATOM 1369 CB TYR A 93 1.765 9.935 2.942 1.00 65.32 C ATOM 1370 CG TYR A 93 2.878 10.916 3.283 1.00 12.00 C ATOM 1371 CD1 TYR A 93 3.579 11.566 2.279 1.00 42.53 C ATOM 1372 CD2 TYR A 93 3.222 11.192 4.602 1.00 3.04 C ATOM 1373 CE1 TYR A 93 4.593 12.461 2.573 1.00 4.43 C ATOM 1374 CE2 TYR A 93 4.237 12.086 4.905 1.00 73.01 C ATOM 1375 CZ TYR A 93 4.921 12.716 3.882 1.00 22.22 C ATOM 1376 OH TYR A 93 5.936 13.610 4.169 1.00 2.13 O ATOM 0 H TYR A 93 -0.157 10.795 4.543 1.00 3.44 H new ATOM 0 HA TYR A 93 0.661 11.337 1.772 1.00 54.44 H new ATOM 0 HB2 TYR A 93 1.592 9.284 3.799 1.00 65.32 H new ATOM 0 HB3 TYR A 93 2.094 9.299 2.120 1.00 65.32 H new ATOM 0 HD1 TYR A 93 3.329 11.370 1.247 1.00 42.53 H new ATOM 0 HD2 TYR A 93 2.689 10.702 5.403 1.00 3.04 H new ATOM 0 HE1 TYR A 93 5.125 12.958 1.775 1.00 4.43 H new ATOM 0 HE2 TYR A 93 4.492 12.289 5.935 1.00 73.01 H new ATOM 0 HH TYR A 93 6.673 13.138 4.610 1.00 2.13 H new ATOM 1386 N ARG A 94 -0.791 9.715 0.683 1.00 34.35 N ATOM 1387 CA ARG A 94 -1.691 8.814 -0.043 1.00 24.42 C ATOM 1388 C ARG A 94 -1.030 7.449 -0.288 1.00 31.21 C ATOM 1389 O ARG A 94 0.180 7.288 -0.085 1.00 61.22 O ATOM 1390 CB ARG A 94 -2.138 9.422 -1.388 1.00 73.13 C ATOM 1391 CG ARG A 94 -0.992 9.704 -2.339 1.00 50.25 C ATOM 1392 CD ARG A 94 -1.457 10.151 -3.701 1.00 21.12 C ATOM 1393 NE ARG A 94 -0.319 10.371 -4.608 1.00 72.43 N ATOM 1394 CZ ARG A 94 -0.418 10.657 -5.910 1.00 44.44 C ATOM 1395 NH1 ARG A 94 -1.615 10.824 -6.478 1.00 41.41 N ATOM 1396 NH2 ARG A 94 0.681 10.789 -6.636 1.00 44.23 N ATOM 0 H ARG A 94 -0.369 10.434 0.096 1.00 34.35 H new ATOM 0 HA ARG A 94 -2.572 8.673 0.583 1.00 24.42 H new ATOM 0 HB2 ARG A 94 -2.839 8.741 -1.870 1.00 73.13 H new ATOM 0 HB3 ARG A 94 -2.676 10.350 -1.196 1.00 73.13 H new ATOM 0 HG2 ARG A 94 -0.351 10.473 -1.909 1.00 50.25 H new ATOM 0 HG3 ARG A 94 -0.385 8.805 -2.445 1.00 50.25 H new ATOM 0 HD2 ARG A 94 -2.123 9.400 -4.125 1.00 21.12 H new ATOM 0 HD3 ARG A 94 -2.033 11.071 -3.607 1.00 21.12 H new ATOM 0 HE ARG A 94 0.618 10.300 -4.212 1.00 72.43 H new ATOM 0 HH11 ARG A 94 -2.462 10.734 -5.918 1.00 41.41 H new ATOM 0 HH12 ARG A 94 -1.682 11.042 -7.472 1.00 41.41 H new ATOM 0 HH21 ARG A 94 1.596 10.673 -6.201 1.00 44.23 H new ATOM 0 HH22 ARG A 94 0.612 11.007 -7.630 1.00 44.23 H new ATOM 1410 N ASP A 95 -1.829 6.511 -0.788 1.00 70.21 N ATOM 1411 CA ASP A 95 -1.431 5.109 -1.072 1.00 73.15 C ATOM 1412 C ASP A 95 -0.195 5.065 -1.981 1.00 62.51 C ATOM 1413 O ASP A 95 0.734 4.272 -1.771 1.00 71.12 O ATOM 1414 CB ASP A 95 -2.605 4.383 -1.796 1.00 41.10 C ATOM 1415 CG ASP A 95 -2.894 4.939 -3.208 1.00 23.45 C ATOM 1416 OD1 ASP A 95 -2.798 6.191 -3.409 1.00 70.35 O ATOM 1417 OD2 ASP A 95 -3.189 4.171 -4.128 1.00 74.21 O ATOM 0 H ASP A 95 -2.805 6.697 -1.019 1.00 70.21 H new ATOM 0 HA ASP A 95 -1.195 4.618 -0.128 1.00 73.15 H new ATOM 0 HB2 ASP A 95 -2.373 3.321 -1.873 1.00 41.10 H new ATOM 0 HB3 ASP A 95 -3.506 4.470 -1.188 1.00 41.10 H new ATOM 1422 N THR A 96 -0.192 5.944 -2.946 1.00 55.33 N ATOM 1423 CA THR A 96 0.836 6.064 -3.913 1.00 73.22 C ATOM 1424 C THR A 96 2.166 6.407 -3.246 1.00 43.41 C ATOM 1425 O THR A 96 3.198 5.817 -3.562 1.00 61.14 O ATOM 1426 CB THR A 96 0.437 7.138 -4.938 1.00 73.01 C ATOM 1427 OG1 THR A 96 -0.898 6.846 -5.444 1.00 32.31 O ATOM 1428 CG2 THR A 96 1.417 7.171 -6.098 1.00 12.42 C ATOM 0 H THR A 96 -0.945 6.620 -3.075 1.00 55.33 H new ATOM 0 HA THR A 96 0.966 5.112 -4.427 1.00 73.22 H new ATOM 0 HB THR A 96 0.450 8.110 -4.446 1.00 73.01 H new ATOM 0 HG1 THR A 96 -1.526 6.787 -4.694 1.00 32.31 H new ATOM 0 HG21 THR A 96 1.113 7.939 -6.809 1.00 12.42 H new ATOM 0 HG22 THR A 96 2.416 7.398 -5.724 1.00 12.42 H new ATOM 0 HG23 THR A 96 1.427 6.200 -6.594 1.00 12.42 H new ATOM 1436 N GLU A 97 2.118 7.314 -2.280 1.00 74.14 N ATOM 1437 CA GLU A 97 3.311 7.738 -1.586 1.00 51.50 C ATOM 1438 C GLU A 97 3.867 6.600 -0.758 1.00 43.01 C ATOM 1439 O GLU A 97 5.073 6.417 -0.695 1.00 52.45 O ATOM 1440 CB GLU A 97 3.063 8.959 -0.699 1.00 13.11 C ATOM 1441 CG GLU A 97 2.339 10.098 -1.392 1.00 62.22 C ATOM 1442 CD GLU A 97 2.909 10.452 -2.746 1.00 40.05 C ATOM 1443 OE1 GLU A 97 3.975 11.099 -2.813 1.00 11.54 O ATOM 1444 OE2 GLU A 97 2.276 10.109 -3.765 1.00 23.02 O ATOM 0 H GLU A 97 1.261 7.767 -1.964 1.00 74.14 H new ATOM 0 HA GLU A 97 4.039 8.028 -2.344 1.00 51.50 H new ATOM 0 HB2 GLU A 97 2.482 8.650 0.170 1.00 13.11 H new ATOM 0 HB3 GLU A 97 4.021 9.325 -0.329 1.00 13.11 H new ATOM 0 HG2 GLU A 97 1.289 9.830 -1.509 1.00 62.22 H new ATOM 0 HG3 GLU A 97 2.373 10.980 -0.752 1.00 62.22 H new ATOM 1451 N ILE A 98 2.967 5.798 -0.177 1.00 11.03 N ATOM 1452 CA ILE A 98 3.362 4.688 0.698 1.00 44.11 C ATOM 1453 C ILE A 98 4.205 3.719 -0.106 1.00 53.44 C ATOM 1454 O ILE A 98 5.309 3.351 0.281 1.00 33.33 O ATOM 1455 CB ILE A 98 2.129 3.879 1.227 1.00 11.44 C ATOM 1456 CG1 ILE A 98 0.992 4.784 1.719 1.00 63.21 C ATOM 1457 CG2 ILE A 98 2.547 2.939 2.342 1.00 42.42 C ATOM 1458 CD1 ILE A 98 1.379 5.773 2.775 1.00 54.22 C ATOM 0 H ILE A 98 1.959 5.897 -0.297 1.00 11.03 H new ATOM 0 HA ILE A 98 3.898 5.117 1.545 1.00 44.11 H new ATOM 0 HB ILE A 98 1.750 3.306 0.381 1.00 11.44 H new ATOM 0 HG12 ILE A 98 0.586 5.327 0.866 1.00 63.21 H new ATOM 0 HG13 ILE A 98 0.191 4.156 2.108 1.00 63.21 H new ATOM 0 HG21 ILE A 98 1.677 2.386 2.697 1.00 42.42 H new ATOM 0 HG22 ILE A 98 3.294 2.239 1.967 1.00 42.42 H new ATOM 0 HG23 ILE A 98 2.970 3.516 3.164 1.00 42.42 H new ATOM 0 HD11 ILE A 98 0.508 6.365 3.056 1.00 54.22 H new ATOM 0 HD12 ILE A 98 1.755 5.243 3.650 1.00 54.22 H new ATOM 0 HD13 ILE A 98 2.156 6.432 2.389 1.00 54.22 H new ATOM 1470 N MET A 99 3.703 3.389 -1.277 1.00 3.15 N ATOM 1471 CA MET A 99 4.362 2.456 -2.162 1.00 50.42 C ATOM 1472 C MET A 99 5.602 3.061 -2.777 1.00 51.02 C ATOM 1473 O MET A 99 6.513 2.340 -3.163 1.00 32.51 O ATOM 1474 CB MET A 99 3.444 2.035 -3.284 1.00 10.13 C ATOM 1475 CG MET A 99 2.227 1.247 -2.886 1.00 41.12 C ATOM 1476 SD MET A 99 1.191 0.900 -4.319 1.00 63.13 S ATOM 1477 CE MET A 99 0.664 2.570 -4.730 1.00 71.14 C ATOM 0 H MET A 99 2.826 3.761 -1.641 1.00 3.15 H new ATOM 0 HA MET A 99 4.636 1.592 -1.556 1.00 50.42 H new ATOM 0 HB2 MET A 99 3.115 2.930 -3.812 1.00 10.13 H new ATOM 0 HB3 MET A 99 4.020 1.441 -3.993 1.00 10.13 H new ATOM 0 HG2 MET A 99 2.532 0.311 -2.417 1.00 41.12 H new ATOM 0 HG3 MET A 99 1.654 1.804 -2.144 1.00 41.12 H new ATOM 0 HE1 MET A 99 -0.283 2.531 -5.268 1.00 71.14 H new ATOM 0 HE2 MET A 99 0.538 3.147 -3.814 1.00 71.14 H new ATOM 0 HE3 MET A 99 1.418 3.045 -5.358 1.00 71.14 H new ATOM 1487 N ARG A 100 5.627 4.386 -2.864 1.00 41.20 N ATOM 1488 CA ARG A 100 6.718 5.106 -3.490 1.00 3.44 C ATOM 1489 C ARG A 100 8.022 4.742 -2.791 1.00 60.51 C ATOM 1490 O ARG A 100 8.893 4.135 -3.395 1.00 2.34 O ATOM 1491 CB ARG A 100 6.427 6.635 -3.451 1.00 41.41 C ATOM 1492 CG ARG A 100 7.326 7.555 -4.297 1.00 33.35 C ATOM 1493 CD ARG A 100 8.749 7.679 -3.772 1.00 45.12 C ATOM 1494 NE ARG A 100 9.540 8.619 -4.579 1.00 32.34 N ATOM 1495 CZ ARG A 100 10.649 8.318 -5.274 1.00 40.44 C ATOM 1496 NH1 ARG A 100 11.154 7.080 -5.265 1.00 3.23 N ATOM 1497 NH2 ARG A 100 11.258 9.265 -5.976 1.00 22.41 N ATOM 0 H ARG A 100 4.888 4.988 -2.500 1.00 41.20 H new ATOM 0 HA ARG A 100 6.814 4.824 -4.538 1.00 3.44 H new ATOM 0 HB2 ARG A 100 5.396 6.789 -3.769 1.00 41.41 H new ATOM 0 HB3 ARG A 100 6.493 6.963 -2.414 1.00 41.41 H new ATOM 0 HG2 ARG A 100 7.358 7.176 -5.319 1.00 33.35 H new ATOM 0 HG3 ARG A 100 6.877 8.547 -4.339 1.00 33.35 H new ATOM 0 HD2 ARG A 100 8.728 8.016 -2.736 1.00 45.12 H new ATOM 0 HD3 ARG A 100 9.227 6.700 -3.779 1.00 45.12 H new ATOM 0 HE ARG A 100 9.218 9.586 -4.614 1.00 32.34 H new ATOM 0 HH11 ARG A 100 10.696 6.346 -4.724 1.00 3.23 H new ATOM 0 HH12 ARG A 100 11.997 6.869 -5.799 1.00 3.23 H new ATOM 0 HH21 ARG A 100 10.883 10.214 -5.985 1.00 22.41 H new ATOM 0 HH22 ARG A 100 12.101 9.044 -6.506 1.00 22.41 H new ATOM 1511 N TRP A 101 8.139 5.086 -1.530 1.00 63.33 N ATOM 1512 CA TRP A 101 9.338 4.749 -0.774 1.00 22.25 C ATOM 1513 C TRP A 101 9.470 3.248 -0.502 1.00 23.03 C ATOM 1514 O TRP A 101 10.575 2.724 -0.487 1.00 50.20 O ATOM 1515 CB TRP A 101 9.512 5.613 0.490 1.00 64.11 C ATOM 1516 CG TRP A 101 8.266 5.794 1.288 1.00 1.05 C ATOM 1517 CD1 TRP A 101 7.418 6.851 1.217 1.00 61.31 C ATOM 1518 CD2 TRP A 101 7.723 4.908 2.270 1.00 51.01 C ATOM 1519 NE1 TRP A 101 6.382 6.680 2.078 1.00 51.42 N ATOM 1520 CE2 TRP A 101 6.543 5.494 2.741 1.00 23.14 C ATOM 1521 CE3 TRP A 101 8.117 3.677 2.792 1.00 71.11 C ATOM 1522 CZ2 TRP A 101 5.752 4.892 3.704 1.00 34.10 C ATOM 1523 CZ3 TRP A 101 7.332 3.084 3.747 1.00 64.02 C ATOM 1524 CH2 TRP A 101 6.160 3.689 4.195 1.00 33.21 C ATOM 0 H TRP A 101 7.429 5.595 -1.003 1.00 63.33 H new ATOM 0 HA TRP A 101 10.179 5.003 -1.420 1.00 22.25 H new ATOM 0 HB2 TRP A 101 10.273 5.158 1.125 1.00 64.11 H new ATOM 0 HB3 TRP A 101 9.887 6.594 0.196 1.00 64.11 H new ATOM 0 HD1 TRP A 101 7.548 7.705 0.569 1.00 61.31 H new ATOM 0 HE1 TRP A 101 5.608 7.331 2.209 1.00 51.42 H new ATOM 0 HE3 TRP A 101 9.023 3.199 2.451 1.00 71.11 H new ATOM 0 HZ2 TRP A 101 4.843 5.360 4.054 1.00 34.10 H new ATOM 0 HZ3 TRP A 101 7.628 2.131 4.159 1.00 64.02 H new ATOM 0 HH2 TRP A 101 5.563 3.194 4.947 1.00 33.21 H new ATOM 1535 N LEU A 102 8.334 2.560 -0.332 1.00 2.33 N ATOM 1536 CA LEU A 102 8.332 1.114 -0.072 1.00 4.31 C ATOM 1537 C LEU A 102 8.954 0.311 -1.198 1.00 61.32 C ATOM 1538 O LEU A 102 9.676 -0.636 -0.943 1.00 15.41 O ATOM 1539 CB LEU A 102 6.919 0.580 0.188 1.00 50.12 C ATOM 1540 CG LEU A 102 6.378 0.636 1.611 1.00 14.13 C ATOM 1541 CD1 LEU A 102 4.944 0.151 1.636 1.00 32.43 C ATOM 1542 CD2 LEU A 102 7.221 -0.221 2.529 1.00 53.11 C ATOM 0 H LEU A 102 7.405 2.980 -0.370 1.00 2.33 H new ATOM 0 HA LEU A 102 8.941 0.987 0.823 1.00 4.31 H new ATOM 0 HB2 LEU A 102 6.231 1.133 -0.452 1.00 50.12 H new ATOM 0 HB3 LEU A 102 6.891 -0.460 -0.138 1.00 50.12 H new ATOM 0 HG LEU A 102 6.417 1.668 1.958 1.00 14.13 H new ATOM 0 HD11 LEU A 102 4.563 0.194 2.656 1.00 32.43 H new ATOM 0 HD12 LEU A 102 4.334 0.786 0.994 1.00 32.43 H new ATOM 0 HD13 LEU A 102 4.901 -0.877 1.275 1.00 32.43 H new ATOM 0 HD21 LEU A 102 6.822 -0.171 3.542 1.00 53.11 H new ATOM 0 HD22 LEU A 102 7.201 -1.254 2.182 1.00 53.11 H new ATOM 0 HD23 LEU A 102 8.248 0.143 2.525 1.00 53.11 H new ATOM 1554 N PHE A 103 8.677 0.679 -2.430 1.00 12.53 N ATOM 1555 CA PHE A 103 9.192 -0.074 -3.566 1.00 4.31 C ATOM 1556 C PHE A 103 10.509 0.484 -4.083 1.00 20.43 C ATOM 1557 O PHE A 103 11.092 -0.055 -5.032 1.00 21.41 O ATOM 1558 CB PHE A 103 8.147 -0.208 -4.686 1.00 60.03 C ATOM 1559 CG PHE A 103 6.982 -1.115 -4.335 1.00 62.31 C ATOM 1560 CD1 PHE A 103 5.981 -0.695 -3.477 1.00 1.02 C ATOM 1561 CD2 PHE A 103 6.899 -2.395 -4.864 1.00 65.30 C ATOM 1562 CE1 PHE A 103 4.926 -1.518 -3.156 1.00 51.13 C ATOM 1563 CE2 PHE A 103 5.844 -3.223 -4.544 1.00 60.55 C ATOM 1564 CZ PHE A 103 4.857 -2.780 -3.690 1.00 13.40 C ATOM 0 H PHE A 103 8.104 1.486 -2.675 1.00 12.53 H new ATOM 0 HA PHE A 103 9.403 -1.079 -3.202 1.00 4.31 H new ATOM 0 HB2 PHE A 103 7.763 0.782 -4.931 1.00 60.03 H new ATOM 0 HB3 PHE A 103 8.636 -0.591 -5.582 1.00 60.03 H new ATOM 0 HD1 PHE A 103 6.029 0.297 -3.052 1.00 1.02 H new ATOM 0 HD2 PHE A 103 7.670 -2.747 -5.534 1.00 65.30 H new ATOM 0 HE1 PHE A 103 4.154 -1.171 -2.485 1.00 51.13 H new ATOM 0 HE2 PHE A 103 5.791 -4.217 -4.962 1.00 60.55 H new ATOM 0 HZ PHE A 103 4.029 -3.427 -3.441 1.00 13.40 H new ATOM 1574 N THR A 104 10.967 1.546 -3.468 1.00 74.01 N ATOM 1575 CA THR A 104 12.245 2.123 -3.791 1.00 31.43 C ATOM 1576 C THR A 104 13.338 1.441 -2.946 1.00 22.23 C ATOM 1577 O THR A 104 13.185 1.324 -1.733 1.00 3.33 O ATOM 1578 CB THR A 104 12.243 3.658 -3.527 1.00 34.51 C ATOM 1579 OG1 THR A 104 11.285 4.302 -4.394 1.00 2.33 O ATOM 1580 CG2 THR A 104 13.619 4.276 -3.753 1.00 72.14 C ATOM 0 H THR A 104 10.462 2.034 -2.728 1.00 74.01 H new ATOM 0 HA THR A 104 12.447 1.964 -4.850 1.00 31.43 H new ATOM 0 HB THR A 104 11.970 3.811 -2.483 1.00 34.51 H new ATOM 0 HG1 THR A 104 10.385 4.201 -4.020 1.00 2.33 H new ATOM 0 HG21 THR A 104 13.573 5.347 -3.558 1.00 72.14 H new ATOM 0 HG22 THR A 104 14.340 3.815 -3.078 1.00 72.14 H new ATOM 0 HG23 THR A 104 13.928 4.108 -4.785 1.00 72.14 H new ATOM 1588 N PRO A 105 14.407 0.925 -3.576 1.00 34.01 N ATOM 1589 CA PRO A 105 15.541 0.362 -2.841 1.00 24.11 C ATOM 1590 C PRO A 105 16.190 1.442 -1.964 1.00 2.41 C ATOM 1591 O PRO A 105 16.521 2.543 -2.454 1.00 31.44 O ATOM 1592 CB PRO A 105 16.510 -0.058 -3.960 1.00 2.42 C ATOM 1593 CG PRO A 105 15.654 -0.218 -5.165 1.00 52.25 C ATOM 1594 CD PRO A 105 14.580 0.816 -5.036 1.00 64.22 C ATOM 0 HA PRO A 105 15.262 -0.458 -2.179 1.00 24.11 H new ATOM 0 HB2 PRO A 105 17.280 0.696 -4.120 1.00 2.42 H new ATOM 0 HB3 PRO A 105 17.021 -0.988 -3.712 1.00 2.42 H new ATOM 0 HG2 PRO A 105 16.231 -0.072 -6.078 1.00 52.25 H new ATOM 0 HG3 PRO A 105 15.229 -1.221 -5.214 1.00 52.25 H new ATOM 0 HD2 PRO A 105 14.877 1.766 -5.480 1.00 64.22 H new ATOM 0 HD3 PRO A 105 13.659 0.507 -5.531 1.00 64.22 H new ATOM 1602 N ASP A 106 16.381 1.140 -0.703 1.00 21.04 N ATOM 1603 CA ASP A 106 16.940 2.102 0.240 1.00 11.11 C ATOM 1604 C ASP A 106 18.450 2.032 0.171 1.00 61.23 C ATOM 1605 O ASP A 106 19.033 0.947 0.298 1.00 53.04 O ATOM 1606 CB ASP A 106 16.468 1.810 1.671 1.00 11.43 C ATOM 1607 CG ASP A 106 16.927 2.841 2.711 1.00 61.14 C ATOM 1608 OD1 ASP A 106 18.112 2.875 3.069 1.00 23.32 O ATOM 1609 OD2 ASP A 106 16.086 3.623 3.204 1.00 22.12 O ATOM 0 H ASP A 106 16.159 0.232 -0.296 1.00 21.04 H new ATOM 0 HA ASP A 106 16.597 3.102 -0.028 1.00 11.11 H new ATOM 0 HB2 ASP A 106 15.379 1.763 1.679 1.00 11.43 H new ATOM 0 HB3 ASP A 106 16.832 0.826 1.967 1.00 11.43 H new ATOM 1614 N PRO A 107 19.114 3.172 -0.049 1.00 52.31 N ATOM 1615 CA PRO A 107 20.573 3.239 -0.198 1.00 51.11 C ATOM 1616 C PRO A 107 21.349 2.760 1.035 1.00 1.24 C ATOM 1617 O PRO A 107 22.533 2.429 0.939 1.00 43.54 O ATOM 1618 CB PRO A 107 20.848 4.724 -0.459 1.00 30.34 C ATOM 1619 CG PRO A 107 19.653 5.428 0.074 1.00 52.43 C ATOM 1620 CD PRO A 107 18.499 4.509 -0.160 1.00 52.32 C ATOM 0 HA PRO A 107 20.908 2.576 -0.996 1.00 51.11 H new ATOM 0 HB2 PRO A 107 21.758 5.052 0.043 1.00 30.34 H new ATOM 0 HB3 PRO A 107 20.982 4.921 -1.523 1.00 30.34 H new ATOM 0 HG2 PRO A 107 19.769 5.647 1.136 1.00 52.43 H new ATOM 0 HG3 PRO A 107 19.503 6.381 -0.433 1.00 52.43 H new ATOM 0 HD2 PRO A 107 17.711 4.654 0.579 1.00 52.32 H new ATOM 0 HD3 PRO A 107 18.049 4.667 -1.140 1.00 52.32 H new ATOM 1628 N SER A 108 20.701 2.684 2.166 1.00 33.52 N ATOM 1629 CA SER A 108 21.379 2.323 3.373 1.00 64.44 C ATOM 1630 C SER A 108 20.746 1.077 4.024 1.00 34.12 C ATOM 1631 O SER A 108 21.019 0.777 5.181 1.00 73.24 O ATOM 1632 CB SER A 108 21.314 3.514 4.325 1.00 60.12 C ATOM 1633 OG SER A 108 21.740 4.714 3.670 1.00 73.14 O ATOM 0 H SER A 108 19.703 2.868 2.273 1.00 33.52 H new ATOM 0 HA SER A 108 22.415 2.072 3.147 1.00 64.44 H new ATOM 0 HB2 SER A 108 20.295 3.637 4.691 1.00 60.12 H new ATOM 0 HB3 SER A 108 21.945 3.325 5.194 1.00 60.12 H new ATOM 0 HG SER A 108 21.689 5.465 4.298 1.00 73.14 H new ATOM 1639 N LEU A 109 19.934 0.342 3.285 1.00 24.12 N ATOM 1640 CA LEU A 109 19.259 -0.804 3.865 1.00 34.00 C ATOM 1641 C LEU A 109 19.810 -2.126 3.362 1.00 11.45 C ATOM 1642 O LEU A 109 19.865 -2.379 2.157 1.00 53.25 O ATOM 1643 CB LEU A 109 17.764 -0.749 3.587 1.00 20.42 C ATOM 1644 CG LEU A 109 16.904 -1.854 4.210 1.00 45.01 C ATOM 1645 CD1 LEU A 109 16.947 -1.794 5.731 1.00 23.15 C ATOM 1646 CD2 LEU A 109 15.483 -1.745 3.716 1.00 12.40 C ATOM 0 H LEU A 109 19.729 0.513 2.301 1.00 24.12 H new ATOM 0 HA LEU A 109 19.440 -0.751 4.939 1.00 34.00 H new ATOM 0 HB2 LEU A 109 17.388 0.212 3.938 1.00 20.42 H new ATOM 0 HB3 LEU A 109 17.618 -0.773 2.507 1.00 20.42 H new ATOM 0 HG LEU A 109 17.312 -2.817 3.904 1.00 45.01 H new ATOM 0 HD11 LEU A 109 16.328 -2.590 6.144 1.00 23.15 H new ATOM 0 HD12 LEU A 109 17.975 -1.920 6.071 1.00 23.15 H new ATOM 0 HD13 LEU A 109 16.569 -0.829 6.068 1.00 23.15 H new ATOM 0 HD21 LEU A 109 14.880 -2.535 4.165 1.00 12.40 H new ATOM 0 HD22 LEU A 109 15.074 -0.774 3.995 1.00 12.40 H new ATOM 0 HD23 LEU A 109 15.466 -1.848 2.631 1.00 12.40 H new ATOM 1658 N THR A 110 20.176 -2.954 4.290 1.00 22.00 N ATOM 1659 CA THR A 110 20.607 -4.294 4.035 1.00 22.40 C ATOM 1660 C THR A 110 19.625 -5.184 4.788 1.00 71.13 C ATOM 1661 O THR A 110 19.301 -4.895 5.954 1.00 10.32 O ATOM 1662 CB THR A 110 22.037 -4.524 4.584 1.00 70.21 C ATOM 1663 OG1 THR A 110 22.885 -3.439 4.166 1.00 12.42 O ATOM 1664 CG2 THR A 110 22.615 -5.837 4.061 1.00 73.22 C ATOM 0 H THR A 110 20.183 -2.708 5.280 1.00 22.00 H new ATOM 0 HA THR A 110 20.630 -4.507 2.966 1.00 22.40 H new ATOM 0 HB THR A 110 21.988 -4.571 5.672 1.00 70.21 H new ATOM 0 HG1 THR A 110 23.791 -3.579 4.513 1.00 12.42 H new ATOM 0 HG21 THR A 110 23.620 -5.977 4.460 1.00 73.22 H new ATOM 0 HG22 THR A 110 21.981 -6.665 4.377 1.00 73.22 H new ATOM 0 HG23 THR A 110 22.658 -5.808 2.972 1.00 73.22 H new ATOM 1672 N ILE A 111 19.125 -6.219 4.167 1.00 74.11 N ATOM 1673 CA ILE A 111 18.116 -7.020 4.831 1.00 60.34 C ATOM 1674 C ILE A 111 18.552 -8.437 5.113 1.00 53.42 C ATOM 1675 O ILE A 111 19.524 -8.947 4.519 1.00 31.20 O ATOM 1676 CB ILE A 111 16.716 -6.957 4.125 1.00 43.04 C ATOM 1677 CG1 ILE A 111 16.744 -7.404 2.655 1.00 52.44 C ATOM 1678 CG2 ILE A 111 16.125 -5.577 4.240 1.00 72.44 C ATOM 1679 CD1 ILE A 111 16.680 -8.896 2.447 1.00 73.32 C ATOM 0 H ILE A 111 19.386 -6.526 3.230 1.00 74.11 H new ATOM 0 HA ILE A 111 17.990 -6.552 5.807 1.00 60.34 H new ATOM 0 HB ILE A 111 16.083 -7.672 4.651 1.00 43.04 H new ATOM 0 HG12 ILE A 111 15.906 -6.942 2.133 1.00 52.44 H new ATOM 0 HG13 ILE A 111 17.655 -7.025 2.192 1.00 52.44 H new ATOM 0 HG21 ILE A 111 15.155 -5.554 3.744 1.00 72.44 H new ATOM 0 HG22 ILE A 111 16.001 -5.321 5.292 1.00 72.44 H new ATOM 0 HG23 ILE A 111 16.791 -4.855 3.767 1.00 72.44 H new ATOM 0 HD11 ILE A 111 16.705 -9.116 1.380 1.00 73.32 H new ATOM 0 HD12 ILE A 111 17.532 -9.368 2.935 1.00 73.32 H new ATOM 0 HD13 ILE A 111 15.756 -9.284 2.876 1.00 73.32 H new ATOM 1805 N VAL A 120 20.714 -8.822 1.067 1.00 42.14 N ATOM 1806 CA VAL A 120 20.643 -7.901 -0.042 1.00 22.34 C ATOM 1807 C VAL A 120 20.913 -6.486 0.457 1.00 32.44 C ATOM 1808 O VAL A 120 20.240 -6.016 1.387 1.00 70.25 O ATOM 1809 CB VAL A 120 19.236 -7.945 -0.731 1.00 25.45 C ATOM 1810 CG1 VAL A 120 19.166 -6.981 -1.911 1.00 40.24 C ATOM 1811 CG2 VAL A 120 18.892 -9.357 -1.187 1.00 72.43 C ATOM 0 HA VAL A 120 21.394 -8.194 -0.776 1.00 22.34 H new ATOM 0 HB VAL A 120 18.502 -7.632 0.012 1.00 25.45 H new ATOM 0 HG11 VAL A 120 18.178 -7.035 -2.367 1.00 40.24 H new ATOM 0 HG12 VAL A 120 19.349 -5.965 -1.562 1.00 40.24 H new ATOM 0 HG13 VAL A 120 19.921 -7.253 -2.648 1.00 40.24 H new ATOM 0 HG21 VAL A 120 17.911 -9.357 -1.661 1.00 72.43 H new ATOM 0 HG22 VAL A 120 19.640 -9.701 -1.901 1.00 72.43 H new ATOM 0 HG23 VAL A 120 18.879 -10.024 -0.325 1.00 72.43 H new ATOM 1821 N SER A 121 21.919 -5.853 -0.104 1.00 51.32 N ATOM 1822 CA SER A 121 22.225 -4.473 0.162 1.00 5.13 C ATOM 1823 C SER A 121 21.426 -3.611 -0.822 1.00 11.00 C ATOM 1824 O SER A 121 21.119 -4.080 -1.931 1.00 61.52 O ATOM 1825 CB SER A 121 23.734 -4.281 0.012 1.00 22.35 C ATOM 1826 OG SER A 121 24.213 -5.005 -1.119 1.00 22.10 O ATOM 0 H SER A 121 22.555 -6.294 -0.768 1.00 51.32 H new ATOM 0 HA SER A 121 21.948 -4.176 1.174 1.00 5.13 H new ATOM 0 HB2 SER A 121 23.964 -3.222 -0.102 1.00 22.35 H new ATOM 0 HB3 SER A 121 24.243 -4.622 0.914 1.00 22.35 H new ATOM 0 HG SER A 121 24.502 -5.898 -0.837 1.00 22.10 H new ATOM 1832 N ASN A 122 21.059 -2.381 -0.420 1.00 4.33 N ATOM 1833 CA ASN A 122 20.176 -1.514 -1.208 1.00 11.33 C ATOM 1834 C ASN A 122 18.849 -2.208 -1.370 1.00 4.32 C ATOM 1835 O ASN A 122 18.227 -2.207 -2.443 1.00 33.43 O ATOM 1836 CB ASN A 122 20.753 -1.128 -2.586 1.00 30.54 C ATOM 1837 CG ASN A 122 21.990 -0.243 -2.540 1.00 65.43 C ATOM 1838 OD1 ASN A 122 22.124 0.553 -1.514 1.00 4.31 O flip ATOM 1839 ND2 ASN A 122 22.829 -0.284 -3.440 1.00 73.42 N flip ATOM 0 H ASN A 122 21.367 -1.964 0.459 1.00 4.33 H new ATOM 0 HA ASN A 122 20.065 -0.575 -0.665 1.00 11.33 H new ATOM 0 HB2 ASN A 122 20.998 -2.041 -3.129 1.00 30.54 H new ATOM 0 HB3 ASN A 122 19.979 -0.615 -3.157 1.00 30.54 H new ATOM 0 HD21 ASN A 122 22.699 -0.916 -4.230 1.00 73.42 H new ATOM 0 HD22 ASN A 122 23.654 0.314 -3.395 1.00 73.42 H new ATOM 1846 N ALA A 123 18.418 -2.792 -0.287 1.00 35.14 N ATOM 1847 CA ALA A 123 17.227 -3.566 -0.250 1.00 1.11 C ATOM 1848 C ALA A 123 15.994 -2.695 -0.234 1.00 32.42 C ATOM 1849 O ALA A 123 16.052 -1.494 0.046 1.00 60.32 O ATOM 1850 CB ALA A 123 17.248 -4.471 0.946 1.00 10.01 C ATOM 0 H ALA A 123 18.901 -2.737 0.609 1.00 35.14 H new ATOM 0 HA ALA A 123 17.186 -4.168 -1.158 1.00 1.11 H new ATOM 0 HB1 ALA A 123 16.333 -5.063 0.971 1.00 10.01 H new ATOM 0 HB2 ALA A 123 18.109 -5.137 0.884 1.00 10.01 H new ATOM 0 HB3 ALA A 123 17.317 -3.872 1.854 1.00 10.01 H new ATOM 1856 N ARG A 124 14.903 -3.303 -0.524 1.00 10.32 N ATOM 1857 CA ARG A 124 13.644 -2.649 -0.588 1.00 3.35 C ATOM 1858 C ARG A 124 12.898 -2.850 0.745 1.00 63.22 C ATOM 1859 O ARG A 124 12.868 -3.966 1.276 1.00 72.12 O ATOM 1860 CB ARG A 124 12.891 -3.243 -1.768 1.00 2.31 C ATOM 1861 CG ARG A 124 11.472 -2.786 -1.947 1.00 12.20 C ATOM 1862 CD ARG A 124 10.861 -3.449 -3.156 1.00 44.52 C ATOM 1863 NE ARG A 124 11.012 -4.897 -3.086 1.00 33.02 N ATOM 1864 CZ ARG A 124 10.838 -5.758 -4.074 1.00 33.42 C ATOM 1865 NH1 ARG A 124 10.459 -5.337 -5.288 1.00 12.24 N ATOM 1866 NH2 ARG A 124 11.073 -7.054 -3.849 1.00 55.42 N ATOM 0 H ARG A 124 14.858 -4.301 -0.730 1.00 10.32 H new ATOM 0 HA ARG A 124 13.746 -1.574 -0.735 1.00 3.35 H new ATOM 0 HB2 ARG A 124 13.443 -3.011 -2.679 1.00 2.31 H new ATOM 0 HB3 ARG A 124 12.891 -4.328 -1.663 1.00 2.31 H new ATOM 0 HG2 ARG A 124 10.890 -3.027 -1.058 1.00 12.20 H new ATOM 0 HG3 ARG A 124 11.443 -1.703 -2.063 1.00 12.20 H new ATOM 0 HD2 ARG A 124 9.804 -3.192 -3.221 1.00 44.52 H new ATOM 0 HD3 ARG A 124 11.337 -3.073 -4.062 1.00 44.52 H new ATOM 0 HE ARG A 124 11.279 -5.286 -2.182 1.00 33.02 H new ATOM 0 HH11 ARG A 124 10.302 -4.343 -5.457 1.00 12.24 H new ATOM 0 HH12 ARG A 124 10.328 -6.010 -6.043 1.00 12.24 H new ATOM 0 HH21 ARG A 124 11.381 -7.364 -2.927 1.00 55.42 H new ATOM 0 HH22 ARG A 124 10.944 -7.733 -4.599 1.00 55.42 H new ATOM 1880 N PRO A 125 12.325 -1.764 1.323 1.00 52.11 N ATOM 1881 CA PRO A 125 11.587 -1.811 2.609 1.00 53.20 C ATOM 1882 C PRO A 125 10.477 -2.885 2.670 1.00 24.13 C ATOM 1883 O PRO A 125 10.201 -3.431 3.738 1.00 74.53 O ATOM 1884 CB PRO A 125 10.980 -0.415 2.710 1.00 35.41 C ATOM 1885 CG PRO A 125 11.917 0.452 1.957 1.00 64.24 C ATOM 1886 CD PRO A 125 12.396 -0.376 0.802 1.00 51.12 C ATOM 0 HA PRO A 125 12.253 -2.082 3.428 1.00 53.20 H new ATOM 0 HB2 PRO A 125 9.979 -0.385 2.280 1.00 35.41 H new ATOM 0 HB3 PRO A 125 10.890 -0.095 3.748 1.00 35.41 H new ATOM 0 HG2 PRO A 125 11.420 1.358 1.610 1.00 64.24 H new ATOM 0 HG3 PRO A 125 12.750 0.767 2.585 1.00 64.24 H new ATOM 0 HD2 PRO A 125 11.765 -0.244 -0.077 1.00 51.12 H new ATOM 0 HD3 PRO A 125 13.411 -0.108 0.509 1.00 51.12 H new ATOM 1894 N VAL A 126 9.860 -3.187 1.529 1.00 11.11 N ATOM 1895 CA VAL A 126 8.797 -4.206 1.473 1.00 31.52 C ATOM 1896 C VAL A 126 9.336 -5.579 1.910 1.00 71.31 C ATOM 1897 O VAL A 126 8.702 -6.297 2.673 1.00 73.40 O ATOM 1898 CB VAL A 126 8.172 -4.328 0.050 1.00 65.42 C ATOM 1899 CG1 VAL A 126 7.088 -5.393 0.019 1.00 21.42 C ATOM 1900 CG2 VAL A 126 7.593 -3.007 -0.399 1.00 2.30 C ATOM 0 H VAL A 126 10.071 -2.748 0.633 1.00 11.11 H new ATOM 0 HA VAL A 126 8.016 -3.881 2.161 1.00 31.52 H new ATOM 0 HB VAL A 126 8.970 -4.617 -0.633 1.00 65.42 H new ATOM 0 HG11 VAL A 126 6.669 -5.457 -0.985 1.00 21.42 H new ATOM 0 HG12 VAL A 126 7.516 -6.356 0.295 1.00 21.42 H new ATOM 0 HG13 VAL A 126 6.300 -5.131 0.725 1.00 21.42 H new ATOM 0 HG21 VAL A 126 7.163 -3.118 -1.394 1.00 2.30 H new ATOM 0 HG22 VAL A 126 6.816 -2.694 0.299 1.00 2.30 H new ATOM 0 HG23 VAL A 126 8.381 -2.255 -0.426 1.00 2.30 H new ATOM 1910 N ASP A 127 10.515 -5.904 1.456 1.00 41.45 N ATOM 1911 CA ASP A 127 11.150 -7.170 1.792 1.00 22.03 C ATOM 1912 C ASP A 127 11.508 -7.169 3.258 1.00 63.21 C ATOM 1913 O ASP A 127 11.298 -8.143 3.961 1.00 34.13 O ATOM 1914 CB ASP A 127 12.419 -7.370 0.954 1.00 1.32 C ATOM 1915 CG ASP A 127 12.159 -7.274 -0.528 1.00 74.12 C ATOM 1916 OD1 ASP A 127 11.876 -6.173 -1.008 1.00 10.15 O ATOM 1917 OD2 ASP A 127 12.228 -8.300 -1.244 1.00 24.30 O ATOM 0 H ASP A 127 11.070 -5.307 0.843 1.00 41.45 H new ATOM 0 HA ASP A 127 10.458 -7.985 1.578 1.00 22.03 H new ATOM 0 HB2 ASP A 127 13.159 -6.622 1.238 1.00 1.32 H new ATOM 0 HB3 ASP A 127 12.849 -8.346 1.181 1.00 1.32 H new ATOM 1922 N ALA A 128 11.990 -6.023 3.719 1.00 75.02 N ATOM 1923 CA ALA A 128 12.421 -5.838 5.095 1.00 54.11 C ATOM 1924 C ALA A 128 11.285 -6.086 6.093 1.00 33.33 C ATOM 1925 O ALA A 128 11.497 -6.676 7.144 1.00 52.11 O ATOM 1926 CB ALA A 128 12.979 -4.438 5.289 1.00 4.11 C ATOM 0 H ALA A 128 12.093 -5.189 3.142 1.00 75.02 H new ATOM 0 HA ALA A 128 13.201 -6.574 5.290 1.00 54.11 H new ATOM 0 HB1 ALA A 128 13.298 -4.314 6.324 1.00 4.11 H new ATOM 0 HB2 ALA A 128 13.832 -4.291 4.626 1.00 4.11 H new ATOM 0 HB3 ALA A 128 12.208 -3.704 5.056 1.00 4.11 H new ATOM 1932 N LEU A 129 10.076 -5.656 5.760 1.00 0.43 N ATOM 1933 CA LEU A 129 8.949 -5.824 6.675 1.00 11.30 C ATOM 1934 C LEU A 129 8.559 -7.290 6.829 1.00 74.43 C ATOM 1935 O LEU A 129 8.208 -7.734 7.925 1.00 24.33 O ATOM 1936 CB LEU A 129 7.757 -4.907 6.299 1.00 55.02 C ATOM 1937 CG LEU A 129 7.117 -5.105 4.926 1.00 1.01 C ATOM 1938 CD1 LEU A 129 6.109 -6.238 4.941 1.00 72.14 C ATOM 1939 CD2 LEU A 129 6.498 -3.818 4.412 1.00 55.50 C ATOM 0 H LEU A 129 9.849 -5.195 4.879 1.00 0.43 H new ATOM 0 HA LEU A 129 9.275 -5.496 7.662 1.00 11.30 H new ATOM 0 HB2 LEU A 129 6.981 -5.039 7.053 1.00 55.02 H new ATOM 0 HB3 LEU A 129 8.095 -3.873 6.366 1.00 55.02 H new ATOM 0 HG LEU A 129 7.911 -5.385 4.234 1.00 1.01 H new ATOM 0 HD11 LEU A 129 5.673 -6.351 3.948 1.00 72.14 H new ATOM 0 HD12 LEU A 129 6.607 -7.165 5.226 1.00 72.14 H new ATOM 0 HD13 LEU A 129 5.321 -6.014 5.660 1.00 72.14 H new ATOM 0 HD21 LEU A 129 6.052 -3.994 3.433 1.00 55.50 H new ATOM 0 HD22 LEU A 129 5.728 -3.482 5.107 1.00 55.50 H new ATOM 0 HD23 LEU A 129 7.269 -3.052 4.326 1.00 55.50 H new ATOM 1951 N HIS A 130 8.693 -8.049 5.747 1.00 13.15 N ATOM 1952 CA HIS A 130 8.374 -9.471 5.764 1.00 22.40 C ATOM 1953 C HIS A 130 9.527 -10.198 6.449 1.00 14.33 C ATOM 1954 O HIS A 130 9.354 -11.243 7.058 1.00 73.10 O ATOM 1955 CB HIS A 130 8.192 -9.994 4.326 1.00 3.13 C ATOM 1956 CG HIS A 130 7.474 -11.324 4.214 1.00 24.13 C ATOM 1957 ND1 HIS A 130 8.078 -12.562 4.324 1.00 32.31 N ATOM 1958 CD2 HIS A 130 6.163 -11.578 3.962 1.00 32.24 C ATOM 1959 CE1 HIS A 130 7.148 -13.497 4.134 1.00 24.43 C ATOM 1960 NE2 HIS A 130 5.959 -12.957 3.912 1.00 51.10 N ATOM 0 H HIS A 130 9.021 -7.702 4.846 1.00 13.15 H new ATOM 0 HA HIS A 130 7.443 -9.645 6.303 1.00 22.40 H new ATOM 0 HB2 HIS A 130 7.639 -9.250 3.752 1.00 3.13 H new ATOM 0 HB3 HIS A 130 9.174 -10.088 3.863 1.00 3.13 H new ATOM 0 HD1 HIS A 130 9.065 -12.731 4.517 1.00 32.31 H new ATOM 0 HD2 HIS A 130 5.398 -10.829 3.822 1.00 32.24 H new ATOM 0 HE1 HIS A 130 7.339 -14.560 4.158 1.00 24.43 H new ATOM 1968 N ALA A 131 10.690 -9.556 6.406 1.00 51.54 N ATOM 1969 CA ALA A 131 11.920 -10.091 6.993 1.00 25.42 C ATOM 1970 C ALA A 131 12.025 -9.757 8.471 1.00 71.31 C ATOM 1971 O ALA A 131 13.083 -9.936 9.088 1.00 14.30 O ATOM 1972 CB ALA A 131 13.144 -9.570 6.242 1.00 11.14 C ATOM 0 H ALA A 131 10.809 -8.646 5.962 1.00 51.54 H new ATOM 0 HA ALA A 131 11.885 -11.176 6.899 1.00 25.42 H new ATOM 0 HB1 ALA A 131 14.049 -9.978 6.693 1.00 11.14 H new ATOM 0 HB2 ALA A 131 13.088 -9.877 5.198 1.00 11.14 H new ATOM 0 HB3 ALA A 131 13.170 -8.482 6.299 1.00 11.14 H new ATOM 1978 N HIS A 132 10.912 -9.287 9.035 1.00 44.22 N ATOM 1979 CA HIS A 132 10.784 -8.970 10.465 1.00 3.11 C ATOM 1980 C HIS A 132 11.668 -7.781 10.842 1.00 65.43 C ATOM 1981 O HIS A 132 12.080 -7.625 11.995 1.00 71.35 O ATOM 1982 CB HIS A 132 11.111 -10.210 11.342 1.00 1.20 C ATOM 1983 CG HIS A 132 10.240 -11.403 11.062 1.00 54.42 C ATOM 1984 ND1 HIS A 132 10.631 -12.492 10.303 1.00 0.30 N ATOM 1985 CD2 HIS A 132 8.973 -11.658 11.446 1.00 15.14 C ATOM 1986 CE1 HIS A 132 9.612 -13.345 10.245 1.00 24.21 C ATOM 1987 NE2 HIS A 132 8.574 -12.887 10.927 1.00 63.31 N ATOM 0 H HIS A 132 10.058 -9.112 8.506 1.00 44.22 H new ATOM 0 HA HIS A 132 9.748 -8.691 10.656 1.00 3.11 H new ATOM 0 HB2 HIS A 132 12.153 -10.489 11.185 1.00 1.20 H new ATOM 0 HB3 HIS A 132 11.009 -9.937 12.392 1.00 1.20 H new ATOM 0 HD2 HIS A 132 8.364 -11.011 12.059 1.00 15.14 H new ATOM 0 HE1 HIS A 132 9.629 -14.285 9.713 1.00 24.21 H new ATOM 0 HE2 HIS A 132 7.669 -13.341 11.048 1.00 63.31 H new ATOM 1995 N GLN A 133 11.900 -6.927 9.880 1.00 10.21 N ATOM 1996 CA GLN A 133 12.650 -5.697 10.058 1.00 33.31 C ATOM 1997 C GLN A 133 11.689 -4.530 9.887 1.00 51.25 C ATOM 1998 O GLN A 133 12.083 -3.401 9.603 1.00 21.01 O ATOM 1999 CB GLN A 133 13.804 -5.614 9.054 1.00 73.42 C ATOM 2000 CG GLN A 133 14.850 -6.706 9.225 1.00 75.54 C ATOM 2001 CD GLN A 133 15.938 -6.638 8.178 1.00 3.03 C ATOM 2002 OE1 GLN A 133 15.832 -7.246 7.128 1.00 70.13 O ATOM 2003 NE2 GLN A 133 16.989 -5.916 8.455 1.00 22.23 N ATOM 0 H GLN A 133 11.568 -7.065 8.926 1.00 10.21 H new ATOM 0 HA GLN A 133 13.092 -5.668 11.054 1.00 33.31 H new ATOM 0 HB2 GLN A 133 13.398 -5.668 8.044 1.00 73.42 H new ATOM 0 HB3 GLN A 133 14.288 -4.642 9.151 1.00 73.42 H new ATOM 0 HG2 GLN A 133 15.298 -6.623 10.215 1.00 75.54 H new ATOM 0 HG3 GLN A 133 14.364 -7.680 9.176 1.00 75.54 H new ATOM 0 HE21 GLN A 133 17.046 -5.419 9.344 1.00 22.23 H new ATOM 0 HE22 GLN A 133 17.753 -5.849 7.783 1.00 22.23 H new ATOM 2012 N ALA A 134 10.410 -4.836 10.110 1.00 63.35 N ATOM 2013 CA ALA A 134 9.291 -3.915 9.934 1.00 3.32 C ATOM 2014 C ALA A 134 9.464 -2.602 10.693 1.00 3.34 C ATOM 2015 O ALA A 134 9.020 -1.565 10.224 1.00 12.44 O ATOM 2016 CB ALA A 134 7.990 -4.592 10.338 1.00 63.34 C ATOM 0 H ALA A 134 10.118 -5.760 10.428 1.00 63.35 H new ATOM 0 HA ALA A 134 9.262 -3.657 8.875 1.00 3.32 H new ATOM 0 HB1 ALA A 134 7.161 -3.897 10.203 1.00 63.34 H new ATOM 0 HB2 ALA A 134 7.830 -5.473 9.716 1.00 63.34 H new ATOM 0 HB3 ALA A 134 8.046 -4.892 11.384 1.00 63.34 H new ATOM 2022 N ARG A 135 10.141 -2.635 11.835 1.00 4.33 N ATOM 2023 CA ARG A 135 10.365 -1.414 12.615 1.00 73.34 C ATOM 2024 C ARG A 135 11.237 -0.430 11.874 1.00 54.41 C ATOM 2025 O ARG A 135 11.001 0.761 11.932 1.00 71.41 O ATOM 2026 CB ARG A 135 10.919 -1.709 14.004 1.00 34.42 C ATOM 2027 CG ARG A 135 9.917 -2.400 14.917 1.00 40.51 C ATOM 2028 CD ARG A 135 8.713 -1.502 15.168 1.00 33.14 C ATOM 2029 NE ARG A 135 7.665 -2.166 15.930 1.00 55.23 N ATOM 2030 CZ ARG A 135 6.401 -1.726 16.037 1.00 72.24 C ATOM 2031 NH1 ARG A 135 6.048 -0.530 15.547 1.00 14.12 N ATOM 2032 NH2 ARG A 135 5.504 -2.459 16.668 1.00 33.32 N ATOM 0 H ARG A 135 10.542 -3.480 12.241 1.00 4.33 H new ATOM 0 HA ARG A 135 9.388 -0.950 12.753 1.00 73.34 H new ATOM 0 HB2 ARG A 135 11.806 -2.336 13.908 1.00 34.42 H new ATOM 0 HB3 ARG A 135 11.238 -0.775 14.467 1.00 34.42 H new ATOM 0 HG2 ARG A 135 9.591 -3.337 14.465 1.00 40.51 H new ATOM 0 HG3 ARG A 135 10.393 -2.652 15.864 1.00 40.51 H new ATOM 0 HD2 ARG A 135 9.036 -0.610 15.704 1.00 33.14 H new ATOM 0 HD3 ARG A 135 8.307 -1.170 14.212 1.00 33.14 H new ATOM 0 HE ARG A 135 7.909 -3.028 16.418 1.00 55.23 H new ATOM 0 HH11 ARG A 135 6.743 0.058 15.086 1.00 14.12 H new ATOM 0 HH12 ARG A 135 5.084 -0.207 15.635 1.00 14.12 H new ATOM 0 HH21 ARG A 135 5.772 -3.356 17.072 1.00 33.32 H new ATOM 0 HH22 ARG A 135 4.543 -2.128 16.752 1.00 33.32 H new ATOM 2046 N GLU A 136 12.188 -0.938 11.126 1.00 13.11 N ATOM 2047 CA GLU A 136 13.065 -0.108 10.321 1.00 62.11 C ATOM 2048 C GLU A 136 12.276 0.501 9.160 1.00 34.15 C ATOM 2049 O GLU A 136 12.576 1.599 8.676 1.00 50.42 O ATOM 2050 CB GLU A 136 14.224 -0.944 9.813 1.00 2.04 C ATOM 2051 CG GLU A 136 15.167 -1.401 10.910 1.00 32.41 C ATOM 2052 CD GLU A 136 16.008 -0.270 11.461 1.00 24.54 C ATOM 2053 OE1 GLU A 136 15.559 0.473 12.350 1.00 3.21 O ATOM 2054 OE2 GLU A 136 17.161 -0.115 11.015 1.00 14.32 O ATOM 0 H GLU A 136 12.379 -1.938 11.056 1.00 13.11 H new ATOM 0 HA GLU A 136 13.464 0.706 10.926 1.00 62.11 H new ATOM 0 HB2 GLU A 136 13.831 -1.819 9.295 1.00 2.04 H new ATOM 0 HB3 GLU A 136 14.786 -0.365 9.080 1.00 2.04 H new ATOM 0 HG2 GLU A 136 14.589 -1.847 11.719 1.00 32.41 H new ATOM 0 HG3 GLU A 136 15.822 -2.180 10.520 1.00 32.41 H new ATOM 2061 N VAL A 137 11.251 -0.206 8.738 1.00 25.33 N ATOM 2062 CA VAL A 137 10.365 0.266 7.690 1.00 42.24 C ATOM 2063 C VAL A 137 9.484 1.382 8.250 1.00 3.40 C ATOM 2064 O VAL A 137 9.343 2.444 7.635 1.00 33.25 O ATOM 2065 CB VAL A 137 9.492 -0.884 7.131 1.00 53.45 C ATOM 2066 CG1 VAL A 137 8.581 -0.397 6.013 1.00 51.23 C ATOM 2067 CG2 VAL A 137 10.377 -2.019 6.647 1.00 61.22 C ATOM 0 H VAL A 137 11.006 -1.124 9.109 1.00 25.33 H new ATOM 0 HA VAL A 137 10.966 0.649 6.865 1.00 42.24 H new ATOM 0 HB VAL A 137 8.855 -1.250 7.936 1.00 53.45 H new ATOM 0 HG11 VAL A 137 7.982 -1.229 5.643 1.00 51.23 H new ATOM 0 HG12 VAL A 137 7.922 0.383 6.394 1.00 51.23 H new ATOM 0 HG13 VAL A 137 9.186 0.004 5.200 1.00 51.23 H new ATOM 0 HG21 VAL A 137 9.755 -2.824 6.255 1.00 61.22 H new ATOM 0 HG22 VAL A 137 11.038 -1.655 5.860 1.00 61.22 H new ATOM 0 HG23 VAL A 137 10.975 -2.394 7.478 1.00 61.22 H new ATOM 2077 N VAL A 138 8.938 1.145 9.443 1.00 20.41 N ATOM 2078 CA VAL A 138 8.147 2.147 10.161 1.00 33.45 C ATOM 2079 C VAL A 138 9.015 3.377 10.421 1.00 65.11 C ATOM 2080 O VAL A 138 8.579 4.500 10.261 1.00 62.41 O ATOM 2081 CB VAL A 138 7.572 1.603 11.508 1.00 41.33 C ATOM 2082 CG1 VAL A 138 6.774 2.681 12.239 1.00 31.50 C ATOM 2083 CG2 VAL A 138 6.692 0.386 11.265 1.00 60.24 C ATOM 0 H VAL A 138 9.030 0.258 9.938 1.00 20.41 H new ATOM 0 HA VAL A 138 7.293 2.409 9.536 1.00 33.45 H new ATOM 0 HB VAL A 138 8.416 1.311 12.133 1.00 41.33 H new ATOM 0 HG11 VAL A 138 6.385 2.275 13.173 1.00 31.50 H new ATOM 0 HG12 VAL A 138 7.422 3.530 12.454 1.00 31.50 H new ATOM 0 HG13 VAL A 138 5.944 3.007 11.612 1.00 31.50 H new ATOM 0 HG21 VAL A 138 6.302 0.023 12.216 1.00 60.24 H new ATOM 0 HG22 VAL A 138 5.862 0.661 10.614 1.00 60.24 H new ATOM 0 HG23 VAL A 138 7.280 -0.400 10.791 1.00 60.24 H new ATOM 2093 N ARG A 139 10.247 3.133 10.796 1.00 63.41 N ATOM 2094 CA ARG A 139 11.241 4.168 11.031 1.00 14.34 C ATOM 2095 C ARG A 139 11.431 5.041 9.781 1.00 1.23 C ATOM 2096 O ARG A 139 11.408 6.270 9.871 1.00 3.43 O ATOM 2097 CB ARG A 139 12.549 3.498 11.414 1.00 12.13 C ATOM 2098 CG ARG A 139 13.720 4.416 11.628 1.00 42.23 C ATOM 2099 CD ARG A 139 14.924 3.606 12.022 1.00 34.11 C ATOM 2100 NE ARG A 139 16.110 4.423 12.200 1.00 52.44 N ATOM 2101 CZ ARG A 139 17.351 3.947 12.217 1.00 31.43 C ATOM 2102 NH1 ARG A 139 17.574 2.632 12.124 1.00 4.11 N ATOM 2103 NH2 ARG A 139 18.370 4.778 12.340 1.00 10.31 N ATOM 0 H ARG A 139 10.601 2.189 10.952 1.00 63.41 H new ATOM 0 HA ARG A 139 10.905 4.820 11.837 1.00 14.34 H new ATOM 0 HB2 ARG A 139 12.388 2.927 12.328 1.00 12.13 H new ATOM 0 HB3 ARG A 139 12.811 2.783 10.634 1.00 12.13 H new ATOM 0 HG2 ARG A 139 13.928 4.977 10.717 1.00 42.23 H new ATOM 0 HG3 ARG A 139 13.488 5.144 12.405 1.00 42.23 H new ATOM 0 HD2 ARG A 139 14.712 3.073 12.949 1.00 34.11 H new ATOM 0 HD3 ARG A 139 15.117 2.853 11.258 1.00 34.11 H new ATOM 0 HE ARG A 139 15.983 5.428 12.320 1.00 52.44 H new ATOM 0 HH11 ARG A 139 16.789 1.986 12.039 1.00 4.11 H new ATOM 0 HH12 ARG A 139 18.529 2.274 12.138 1.00 4.11 H new ATOM 0 HH21 ARG A 139 18.203 5.781 12.422 1.00 10.31 H new ATOM 0 HH22 ARG A 139 19.324 4.417 12.354 1.00 10.31 H new ATOM 2117 N ARG A 140 11.573 4.406 8.612 1.00 1.00 N ATOM 2118 CA ARG A 140 11.716 5.145 7.351 1.00 51.11 C ATOM 2119 C ARG A 140 10.441 5.961 7.085 1.00 3.11 C ATOM 2120 O ARG A 140 10.497 7.092 6.608 1.00 12.40 O ATOM 2121 CB ARG A 140 11.992 4.196 6.161 1.00 11.22 C ATOM 2122 CG ARG A 140 12.208 4.924 4.827 1.00 2.14 C ATOM 2123 CD ARG A 140 13.556 5.655 4.778 1.00 73.20 C ATOM 2124 NE ARG A 140 13.557 6.732 3.772 1.00 75.24 N ATOM 2125 CZ ARG A 140 14.527 7.001 2.882 1.00 11.52 C ATOM 2126 NH1 ARG A 140 15.495 6.133 2.642 1.00 4.13 N ATOM 2127 NH2 ARG A 140 14.479 8.130 2.174 1.00 71.43 N ATOM 0 H ARG A 140 11.592 3.391 8.512 1.00 1.00 H new ATOM 0 HA ARG A 140 12.571 5.814 7.447 1.00 51.11 H new ATOM 0 HB2 ARG A 140 12.874 3.596 6.384 1.00 11.22 H new ATOM 0 HB3 ARG A 140 11.155 3.506 6.057 1.00 11.22 H new ATOM 0 HG2 ARG A 140 12.157 4.204 4.010 1.00 2.14 H new ATOM 0 HG3 ARG A 140 11.402 5.641 4.671 1.00 2.14 H new ATOM 0 HD2 ARG A 140 13.778 6.074 5.759 1.00 73.20 H new ATOM 0 HD3 ARG A 140 14.348 4.942 4.549 1.00 73.20 H new ATOM 0 HE ARG A 140 12.736 7.336 3.749 1.00 75.24 H new ATOM 0 HH11 ARG A 140 15.514 5.241 3.136 1.00 4.13 H new ATOM 0 HH12 ARG A 140 16.223 6.355 1.963 1.00 4.13 H new ATOM 0 HH21 ARG A 140 13.709 8.785 2.309 1.00 71.43 H new ATOM 0 HH22 ARG A 140 15.213 8.339 1.497 1.00 71.43 H new ATOM 2141 N ALA A 141 9.307 5.374 7.435 1.00 44.41 N ATOM 2142 CA ALA A 141 8.003 6.000 7.287 1.00 30.12 C ATOM 2143 C ALA A 141 7.883 7.228 8.192 1.00 14.13 C ATOM 2144 O ALA A 141 7.409 8.286 7.767 1.00 45.50 O ATOM 2145 CB ALA A 141 6.921 4.998 7.622 1.00 20.32 C ATOM 0 H ALA A 141 9.266 4.437 7.835 1.00 44.41 H new ATOM 0 HA ALA A 141 7.887 6.328 6.254 1.00 30.12 H new ATOM 0 HB1 ALA A 141 5.943 5.467 7.511 1.00 20.32 H new ATOM 0 HB2 ALA A 141 6.993 4.145 6.947 1.00 20.32 H new ATOM 0 HB3 ALA A 141 7.046 4.658 8.650 1.00 20.32 H new ATOM 2151 N GLN A 142 8.327 7.094 9.427 1.00 22.12 N ATOM 2152 CA GLN A 142 8.293 8.196 10.375 1.00 64.14 C ATOM 2153 C GLN A 142 9.252 9.282 9.947 1.00 53.52 C ATOM 2154 O GLN A 142 8.962 10.458 10.086 1.00 44.10 O ATOM 2155 CB GLN A 142 8.597 7.727 11.793 1.00 11.10 C ATOM 2156 CG GLN A 142 7.627 6.677 12.303 1.00 32.33 C ATOM 2157 CD GLN A 142 7.912 6.249 13.721 1.00 70.44 C ATOM 2158 OE1 GLN A 142 9.050 6.291 14.180 1.00 34.02 O ATOM 2159 NE2 GLN A 142 6.906 5.807 14.415 1.00 73.35 N ATOM 0 H GLN A 142 8.718 6.229 9.801 1.00 22.12 H new ATOM 0 HA GLN A 142 7.282 8.605 10.381 1.00 64.14 H new ATOM 0 HB2 GLN A 142 9.608 7.322 11.825 1.00 11.10 H new ATOM 0 HB3 GLN A 142 8.577 8.586 12.464 1.00 11.10 H new ATOM 0 HG2 GLN A 142 6.612 7.070 12.245 1.00 32.33 H new ATOM 0 HG3 GLN A 142 7.669 5.805 11.651 1.00 32.33 H new ATOM 0 HE21 GLN A 142 5.973 5.785 14.004 1.00 73.35 H new ATOM 0 HE22 GLN A 142 7.050 5.482 15.371 1.00 73.35 H new ATOM 2168 N ALA A 143 10.380 8.877 9.392 1.00 14.20 N ATOM 2169 CA ALA A 143 11.362 9.810 8.863 1.00 54.20 C ATOM 2170 C ALA A 143 10.846 10.468 7.581 1.00 35.04 C ATOM 2171 O ALA A 143 11.350 11.479 7.152 1.00 45.45 O ATOM 2172 CB ALA A 143 12.687 9.106 8.608 1.00 24.04 C ATOM 0 H ALA A 143 10.642 7.896 9.295 1.00 14.20 H new ATOM 0 HA ALA A 143 11.526 10.591 9.606 1.00 54.20 H new ATOM 0 HB1 ALA A 143 13.409 9.821 8.212 1.00 24.04 H new ATOM 0 HB2 ALA A 143 13.064 8.690 9.542 1.00 24.04 H new ATOM 0 HB3 ALA A 143 12.539 8.303 7.886 1.00 24.04 H new ATOM 2178 N MET A 144 9.853 9.855 6.962 1.00 70.32 N ATOM 2179 CA MET A 144 9.223 10.401 5.766 1.00 64.24 C ATOM 2180 C MET A 144 8.248 11.498 6.164 1.00 11.14 C ATOM 2181 O MET A 144 8.030 12.456 5.430 1.00 40.25 O ATOM 2182 CB MET A 144 8.506 9.281 4.974 1.00 63.13 C ATOM 2183 CG MET A 144 7.701 9.744 3.758 1.00 5.23 C ATOM 2184 SD MET A 144 8.688 10.617 2.521 1.00 73.50 S ATOM 2185 CE MET A 144 9.867 9.356 2.029 1.00 50.10 C ATOM 0 H MET A 144 9.459 8.966 7.271 1.00 70.32 H new ATOM 0 HA MET A 144 9.987 10.829 5.118 1.00 64.24 H new ATOM 0 HB2 MET A 144 9.253 8.561 4.640 1.00 63.13 H new ATOM 0 HB3 MET A 144 7.835 8.753 5.652 1.00 63.13 H new ATOM 0 HG2 MET A 144 7.234 8.877 3.291 1.00 5.23 H new ATOM 0 HG3 MET A 144 6.896 10.397 4.094 1.00 5.23 H new ATOM 0 HE1 MET A 144 10.848 9.594 2.441 1.00 50.10 H new ATOM 0 HE2 MET A 144 9.541 8.386 2.406 1.00 50.10 H new ATOM 0 HE3 MET A 144 9.929 9.320 0.941 1.00 50.10 H new ATOM 2195 N ALA A 145 7.674 11.356 7.334 1.00 53.01 N ATOM 2196 CA ALA A 145 6.746 12.341 7.840 1.00 1.12 C ATOM 2197 C ALA A 145 7.471 13.449 8.602 1.00 24.20 C ATOM 2198 O ALA A 145 7.140 14.623 8.459 1.00 5.14 O ATOM 2199 CB ALA A 145 5.695 11.682 8.718 1.00 23.54 C ATOM 0 H ALA A 145 7.833 10.564 7.957 1.00 53.01 H new ATOM 0 HA ALA A 145 6.246 12.799 6.987 1.00 1.12 H new ATOM 0 HB1 ALA A 145 5.005 12.439 9.090 1.00 23.54 H new ATOM 0 HB2 ALA A 145 5.144 10.944 8.135 1.00 23.54 H new ATOM 0 HB3 ALA A 145 6.181 11.189 9.560 1.00 23.54 H new ATOM 2205 N TYR A 146 8.448 13.076 9.401 1.00 63.30 N ATOM 2206 CA TYR A 146 9.195 14.025 10.200 1.00 13.21 C ATOM 2207 C TYR A 146 10.662 13.940 9.868 1.00 42.52 C ATOM 2208 O TYR A 146 11.148 14.783 9.082 1.00 38.08 O ATOM 2209 CB TYR A 146 8.966 13.790 11.705 1.00 24.13 C ATOM 2210 CG TYR A 146 7.531 13.978 12.138 1.00 43.22 C ATOM 2211 CD1 TYR A 146 7.048 15.238 12.470 1.00 22.44 C ATOM 2212 CD2 TYR A 146 6.656 12.903 12.199 1.00 3.33 C ATOM 2213 CE1 TYR A 146 5.737 15.419 12.852 1.00 44.21 C ATOM 2214 CE2 TYR A 146 5.343 13.077 12.576 1.00 52.55 C ATOM 2215 CZ TYR A 146 4.890 14.337 12.901 1.00 2.44 C ATOM 2216 OH TYR A 146 3.584 14.511 13.277 1.00 42.32 O ATOM 2217 OXT TYR A 146 11.339 13.023 10.356 1.00 38.08 O ATOM 0 H TYR A 146 8.747 12.107 9.515 1.00 63.30 H new ATOM 0 HA TYR A 146 8.837 15.027 9.963 1.00 13.21 H new ATOM 0 HB2 TYR A 146 9.283 12.778 11.958 1.00 24.13 H new ATOM 0 HB3 TYR A 146 9.599 14.473 12.271 1.00 24.13 H new ATOM 0 HD1 TYR A 146 7.711 16.089 12.428 1.00 22.44 H new ATOM 0 HD2 TYR A 146 7.010 11.914 11.947 1.00 3.33 H new ATOM 0 HE1 TYR A 146 5.377 16.404 13.111 1.00 44.21 H new ATOM 0 HE2 TYR A 146 4.673 12.231 12.617 1.00 52.55 H new ATOM 0 HH TYR A 146 3.120 13.648 13.258 1.00 42.32 H new