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 Set 1.1: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 72 THR OG1 : rot -57:sc= -0.714 USER MOD Set 2.2: A 76 GLN : amide:sc= -0.0337 K(o=-0.75,f=-1.9!) USER MOD Set 3.1: A 49 GLN : amide:sc= 0.119 K(o=-0.48,f=-1.1) USER MOD Set 3.2: A 54 HIS : no HE2:sc= -0.599 K(o=-0.48,f=-1.2) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.018 (180deg=-0.192) USER MOD Single : A 48 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.2!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.373 F(o=-2.1!,f=-0.37) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -173:sc=-0.00113 (180deg=-0.0417) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 89 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 93 TYR OH : rot 59:sc= 1.28 USER MOD Single : A 96 THR OG1 : rot 37:sc= 1.16 USER MOD Single : A 99 MET CE :methyl -157:sc= -0.684 (180deg=-1.52) USER MOD Single : A 104 THR OG1 : rot 66:sc= 0.819 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0617 K(o=-0.062,f=-0.78) USER MOD Single : A 130 HIS :FLIP no HD1:sc= -0.282 F(o=-0.97,f=-0.28) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -0.309 K(o=-0.31,f=-3.1!) USER MOD Single : A 142 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.2) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 TYR OH : rot 18:sc= 0.254 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -8.687 4.162 -3.266 1.00 72.03 N ATOM 240 CA ALA A 18 -7.553 3.658 -4.009 1.00 63.35 C ATOM 241 C ALA A 18 -6.561 4.748 -4.301 1.00 70.24 C ATOM 242 O ALA A 18 -6.937 5.920 -4.433 1.00 34.41 O ATOM 243 CB ALA A 18 -7.974 2.969 -5.295 1.00 52.21 C ATOM 0 HA ALA A 18 -7.071 2.913 -3.375 1.00 63.35 H new ATOM 0 HB1 ALA A 18 -7.090 2.607 -5.820 1.00 52.21 H new ATOM 0 HB2 ALA A 18 -8.627 2.128 -5.060 1.00 52.21 H new ATOM 0 HB3 ALA A 18 -8.508 3.677 -5.929 1.00 52.21 H new ATOM 249 N GLY A 19 -5.318 4.380 -4.397 1.00 1.11 N ATOM 250 CA GLY A 19 -4.300 5.305 -4.766 1.00 25.33 C ATOM 251 C GLY A 19 -3.752 4.962 -6.120 1.00 31.24 C ATOM 252 O GLY A 19 -4.286 4.072 -6.808 1.00 15.24 O ATOM 0 H GLY A 19 -4.986 3.432 -4.221 1.00 1.11 H new ATOM 0 HA2 GLY A 19 -4.705 6.317 -4.775 1.00 25.33 H new ATOM 0 HA3 GLY A 19 -3.499 5.289 -4.027 1.00 25.33 H new ATOM 256 N ASP A 20 -2.703 5.620 -6.506 1.00 53.10 N ATOM 257 CA ASP A 20 -2.092 5.359 -7.797 1.00 70.11 C ATOM 258 C ASP A 20 -1.088 4.245 -7.649 1.00 25.34 C ATOM 259 O ASP A 20 -0.350 4.198 -6.665 1.00 54.22 O ATOM 260 CB ASP A 20 -1.446 6.615 -8.386 1.00 73.12 C ATOM 261 CG ASP A 20 -0.832 6.362 -9.748 1.00 51.23 C ATOM 262 OD1 ASP A 20 -1.477 5.727 -10.594 1.00 32.24 O ATOM 263 OD2 ASP A 20 0.296 6.825 -10.007 1.00 13.30 O ATOM 0 H ASP A 20 -2.243 6.344 -5.954 1.00 53.10 H new ATOM 0 HA ASP A 20 -2.869 5.055 -8.498 1.00 70.11 H new ATOM 0 HB2 ASP A 20 -2.196 7.402 -8.469 1.00 73.12 H new ATOM 0 HB3 ASP A 20 -0.676 6.978 -7.705 1.00 73.12 H new ATOM 268 N ASP A 21 -1.066 3.347 -8.600 1.00 42.35 N ATOM 269 CA ASP A 21 -0.242 2.164 -8.497 1.00 54.12 C ATOM 270 C ASP A 21 1.247 2.474 -8.661 1.00 21.01 C ATOM 271 O ASP A 21 1.713 2.882 -9.713 1.00 73.44 O ATOM 272 CB ASP A 21 -0.693 1.055 -9.491 1.00 42.14 C ATOM 273 CG ASP A 21 -0.337 1.316 -10.954 1.00 30.03 C ATOM 274 OD1 ASP A 21 -0.959 2.189 -11.605 1.00 44.44 O ATOM 275 OD2 ASP A 21 0.570 0.630 -11.477 1.00 72.03 O ATOM 0 H ASP A 21 -1.611 3.411 -9.460 1.00 42.35 H new ATOM 0 HA ASP A 21 -0.382 1.782 -7.486 1.00 54.12 H new ATOM 0 HB2 ASP A 21 -0.243 0.110 -9.186 1.00 42.14 H new ATOM 0 HB3 ASP A 21 -1.773 0.934 -9.411 1.00 42.14 H new ATOM 280 N VAL A 22 1.985 2.329 -7.594 1.00 31.53 N ATOM 281 CA VAL A 22 3.438 2.415 -7.663 1.00 54.43 C ATOM 282 C VAL A 22 3.959 0.967 -7.758 1.00 13.31 C ATOM 283 O VAL A 22 4.897 0.544 -7.100 1.00 62.11 O ATOM 284 CB VAL A 22 4.045 3.159 -6.424 1.00 74.55 C ATOM 285 CG1 VAL A 22 5.547 3.380 -6.596 1.00 61.42 C ATOM 286 CG2 VAL A 22 3.349 4.494 -6.212 1.00 45.24 C ATOM 0 H VAL A 22 1.614 2.150 -6.661 1.00 31.53 H new ATOM 0 HA VAL A 22 3.742 3.000 -8.531 1.00 54.43 H new ATOM 0 HB VAL A 22 3.887 2.530 -5.548 1.00 74.55 H new ATOM 0 HG11 VAL A 22 5.941 3.898 -5.722 1.00 61.42 H new ATOM 0 HG12 VAL A 22 6.047 2.417 -6.703 1.00 61.42 H new ATOM 0 HG13 VAL A 22 5.726 3.983 -7.486 1.00 61.42 H new ATOM 0 HG21 VAL A 22 3.783 4.997 -5.348 1.00 45.24 H new ATOM 0 HG22 VAL A 22 3.479 5.117 -7.097 1.00 45.24 H new ATOM 0 HG23 VAL A 22 2.286 4.327 -6.039 1.00 45.24 H new ATOM 296 N LEU A 23 3.316 0.224 -8.598 1.00 55.24 N ATOM 297 CA LEU A 23 3.621 -1.157 -8.814 1.00 42.12 C ATOM 298 C LEU A 23 4.278 -1.351 -10.148 1.00 74.25 C ATOM 299 O LEU A 23 4.207 -0.487 -11.030 1.00 74.23 O ATOM 300 CB LEU A 23 2.338 -1.993 -8.778 1.00 30.11 C ATOM 301 CG LEU A 23 1.704 -2.248 -7.419 1.00 30.30 C ATOM 302 CD1 LEU A 23 0.307 -2.793 -7.609 1.00 33.12 C ATOM 303 CD2 LEU A 23 2.518 -3.269 -6.668 1.00 60.42 C ATOM 0 H LEU A 23 2.544 0.567 -9.169 1.00 55.24 H new ATOM 0 HA LEU A 23 4.299 -1.478 -8.023 1.00 42.12 H new ATOM 0 HB2 LEU A 23 1.597 -1.500 -9.407 1.00 30.11 H new ATOM 0 HB3 LEU A 23 2.553 -2.959 -9.236 1.00 30.11 H new ATOM 0 HG LEU A 23 1.669 -1.313 -6.860 1.00 30.30 H new ATOM 0 HD11 LEU A 23 -0.148 -2.976 -6.635 1.00 33.12 H new ATOM 0 HD12 LEU A 23 -0.294 -2.070 -8.160 1.00 33.12 H new ATOM 0 HD13 LEU A 23 0.354 -3.727 -8.169 1.00 33.12 H new ATOM 0 HD21 LEU A 23 2.064 -3.452 -5.694 1.00 60.42 H new ATOM 0 HD22 LEU A 23 2.547 -4.199 -7.235 1.00 60.42 H new ATOM 0 HD23 LEU A 23 3.533 -2.896 -6.531 1.00 60.42 H new ATOM 315 N ASP A 24 4.925 -2.459 -10.273 1.00 33.35 N ATOM 316 CA ASP A 24 5.467 -2.912 -11.523 1.00 62.45 C ATOM 317 C ASP A 24 4.441 -3.891 -12.081 1.00 11.44 C ATOM 318 O ASP A 24 3.796 -4.596 -11.293 1.00 64.11 O ATOM 319 CB ASP A 24 6.833 -3.600 -11.278 1.00 74.32 C ATOM 320 CG ASP A 24 7.401 -4.300 -12.492 1.00 43.15 C ATOM 321 OD1 ASP A 24 6.994 -5.451 -12.773 1.00 2.03 O ATOM 322 OD2 ASP A 24 8.275 -3.728 -13.168 1.00 71.54 O ATOM 0 H ASP A 24 5.100 -3.095 -9.495 1.00 33.35 H new ATOM 0 HA ASP A 24 5.646 -2.096 -12.224 1.00 62.45 H new ATOM 0 HB2 ASP A 24 7.548 -2.852 -10.936 1.00 74.32 H new ATOM 0 HB3 ASP A 24 6.722 -4.326 -10.473 1.00 74.32 H new ATOM 327 N PRO A 25 4.212 -3.933 -13.411 1.00 44.20 N ATOM 328 CA PRO A 25 3.208 -4.825 -14.036 1.00 30.20 C ATOM 329 C PRO A 25 3.307 -6.304 -13.604 1.00 35.22 C ATOM 330 O PRO A 25 2.313 -7.034 -13.637 1.00 45.35 O ATOM 331 CB PRO A 25 3.496 -4.689 -15.527 1.00 25.52 C ATOM 332 CG PRO A 25 4.050 -3.318 -15.668 1.00 1.30 C ATOM 333 CD PRO A 25 4.861 -3.071 -14.426 1.00 5.22 C ATOM 0 HA PRO A 25 2.200 -4.536 -13.737 1.00 30.20 H new ATOM 0 HB2 PRO A 25 4.207 -5.443 -15.866 1.00 25.52 H new ATOM 0 HB3 PRO A 25 2.591 -4.816 -16.121 1.00 25.52 H new ATOM 0 HG2 PRO A 25 4.669 -3.237 -16.561 1.00 1.30 H new ATOM 0 HG3 PRO A 25 3.252 -2.582 -15.766 1.00 1.30 H new ATOM 0 HD2 PRO A 25 5.908 -3.339 -14.570 1.00 5.22 H new ATOM 0 HD3 PRO A 25 4.838 -2.021 -14.134 1.00 5.22 H new ATOM 341 N ASP A 26 4.473 -6.739 -13.174 1.00 2.11 N ATOM 342 CA ASP A 26 4.633 -8.117 -12.757 1.00 4.10 C ATOM 343 C ASP A 26 4.506 -8.320 -11.267 1.00 34.01 C ATOM 344 O ASP A 26 4.648 -9.441 -10.788 1.00 1.54 O ATOM 345 CB ASP A 26 5.902 -8.757 -13.300 1.00 41.45 C ATOM 346 CG ASP A 26 5.778 -9.135 -14.749 1.00 62.33 C ATOM 347 OD1 ASP A 26 5.276 -10.237 -15.059 1.00 33.33 O ATOM 348 OD2 ASP A 26 6.176 -8.334 -15.618 1.00 62.51 O ATOM 0 H ASP A 26 5.315 -6.167 -13.104 1.00 2.11 H new ATOM 0 HA ASP A 26 3.790 -8.639 -13.209 1.00 4.10 H new ATOM 0 HB2 ASP A 26 6.735 -8.065 -13.178 1.00 41.45 H new ATOM 0 HB3 ASP A 26 6.137 -9.646 -12.714 1.00 41.45 H new ATOM 353 N GLU A 27 4.218 -7.263 -10.529 1.00 40.51 N ATOM 354 CA GLU A 27 3.982 -7.413 -9.112 1.00 74.15 C ATOM 355 C GLU A 27 2.584 -7.952 -8.896 1.00 72.44 C ATOM 356 O GLU A 27 1.605 -7.404 -9.446 1.00 44.34 O ATOM 357 CB GLU A 27 4.176 -6.111 -8.340 1.00 53.10 C ATOM 358 CG GLU A 27 5.602 -5.617 -8.328 1.00 21.11 C ATOM 359 CD GLU A 27 6.562 -6.624 -7.745 1.00 31.44 C ATOM 360 OE1 GLU A 27 6.583 -6.812 -6.508 1.00 62.44 O ATOM 361 OE2 GLU A 27 7.332 -7.232 -8.510 1.00 4.32 O ATOM 0 H GLU A 27 4.144 -6.309 -10.883 1.00 40.51 H new ATOM 0 HA GLU A 27 4.721 -8.114 -8.724 1.00 74.15 H new ATOM 0 HB2 GLU A 27 3.539 -5.342 -8.777 1.00 53.10 H new ATOM 0 HB3 GLU A 27 3.843 -6.256 -7.312 1.00 53.10 H new ATOM 0 HG2 GLU A 27 5.908 -5.377 -9.346 1.00 21.11 H new ATOM 0 HG3 GLU A 27 5.657 -4.693 -7.753 1.00 21.11 H new ATOM 368 N PRO A 28 2.467 -9.037 -8.131 1.00 64.02 N ATOM 369 CA PRO A 28 1.198 -9.690 -7.881 1.00 50.34 C ATOM 370 C PRO A 28 0.246 -8.834 -7.053 1.00 41.41 C ATOM 371 O PRO A 28 0.652 -8.106 -6.121 1.00 75.20 O ATOM 372 CB PRO A 28 1.583 -10.963 -7.124 1.00 2.52 C ATOM 373 CG PRO A 28 2.897 -10.656 -6.498 1.00 61.44 C ATOM 374 CD PRO A 28 3.587 -9.716 -7.439 1.00 72.42 C ATOM 0 HA PRO A 28 0.659 -9.883 -8.808 1.00 50.34 H new ATOM 0 HB2 PRO A 28 0.836 -11.215 -6.371 1.00 2.52 H new ATOM 0 HB3 PRO A 28 1.657 -11.816 -7.798 1.00 2.52 H new ATOM 0 HG2 PRO A 28 2.766 -10.201 -5.516 1.00 61.44 H new ATOM 0 HG3 PRO A 28 3.483 -11.564 -6.353 1.00 61.44 H new ATOM 0 HD2 PRO A 28 4.219 -9.006 -6.906 1.00 72.42 H new ATOM 0 HD3 PRO A 28 4.228 -10.249 -8.141 1.00 72.42 H new ATOM 382 N THR A 29 -0.995 -8.906 -7.392 1.00 63.21 N ATOM 383 CA THR A 29 -2.019 -8.195 -6.719 1.00 44.33 C ATOM 384 C THR A 29 -3.081 -9.150 -6.204 1.00 52.21 C ATOM 385 O THR A 29 -2.880 -10.353 -6.171 1.00 71.45 O ATOM 386 CB THR A 29 -2.650 -7.178 -7.676 1.00 31.25 C ATOM 387 OG1 THR A 29 -2.787 -7.784 -8.969 1.00 1.22 O ATOM 388 CG2 THR A 29 -1.809 -5.915 -7.769 1.00 24.31 C ATOM 0 H THR A 29 -1.332 -9.478 -8.167 1.00 63.21 H new ATOM 0 HA THR A 29 -1.584 -7.672 -5.867 1.00 44.33 H new ATOM 0 HB THR A 29 -3.630 -6.890 -7.295 1.00 31.25 H new ATOM 0 HG1 THR A 29 -3.192 -7.143 -9.590 1.00 1.22 H new ATOM 0 HG21 THR A 29 -2.282 -5.213 -8.455 1.00 24.31 H new ATOM 0 HG22 THR A 29 -1.727 -5.459 -6.782 1.00 24.31 H new ATOM 0 HG23 THR A 29 -0.814 -6.167 -8.136 1.00 24.31 H new ATOM 396 N TYR A 30 -4.095 -8.582 -5.678 1.00 1.30 N ATOM 397 CA TYR A 30 -5.296 -9.194 -5.253 1.00 24.24 C ATOM 398 C TYR A 30 -6.409 -8.377 -5.780 1.00 10.22 C ATOM 399 O TYR A 30 -6.211 -7.214 -6.123 1.00 3.44 O ATOM 400 CB TYR A 30 -5.393 -9.314 -3.743 1.00 52.43 C ATOM 401 CG TYR A 30 -4.597 -10.444 -3.163 1.00 2.14 C ATOM 402 CD1 TYR A 30 -4.831 -11.748 -3.571 1.00 22.45 C ATOM 403 CD2 TYR A 30 -3.640 -10.223 -2.199 1.00 11.02 C ATOM 404 CE1 TYR A 30 -4.127 -12.797 -3.038 1.00 63.00 C ATOM 405 CE2 TYR A 30 -2.927 -11.269 -1.656 1.00 54.54 C ATOM 406 CZ TYR A 30 -3.173 -12.554 -2.080 1.00 64.24 C ATOM 407 OH TYR A 30 -2.460 -13.601 -1.539 1.00 30.04 O ATOM 0 H TYR A 30 -4.108 -7.575 -5.517 1.00 1.30 H new ATOM 0 HA TYR A 30 -5.333 -10.215 -5.633 1.00 24.24 H new ATOM 0 HB2 TYR A 30 -5.057 -8.380 -3.293 1.00 52.43 H new ATOM 0 HB3 TYR A 30 -6.440 -9.442 -3.467 1.00 52.43 H new ATOM 0 HD1 TYR A 30 -5.582 -11.941 -4.323 1.00 22.45 H new ATOM 0 HD2 TYR A 30 -3.445 -9.215 -1.863 1.00 11.02 H new ATOM 0 HE1 TYR A 30 -4.321 -13.807 -3.369 1.00 63.00 H new ATOM 0 HE2 TYR A 30 -2.178 -11.081 -0.901 1.00 54.54 H new ATOM 0 HH TYR A 30 -1.825 -13.257 -0.877 1.00 30.04 H new ATOM 417 N ASP A 31 -7.536 -8.930 -5.817 1.00 21.41 N ATOM 418 CA ASP A 31 -8.706 -8.271 -6.283 1.00 34.52 C ATOM 419 C ASP A 31 -9.731 -8.583 -5.256 1.00 72.24 C ATOM 420 O ASP A 31 -9.551 -9.538 -4.510 1.00 43.24 O ATOM 421 CB ASP A 31 -9.136 -8.792 -7.684 1.00 50.32 C ATOM 422 CG ASP A 31 -9.412 -10.296 -7.748 1.00 73.52 C ATOM 423 OD1 ASP A 31 -10.470 -10.737 -7.307 1.00 43.41 O ATOM 424 OD2 ASP A 31 -8.558 -11.061 -8.287 1.00 32.43 O ATOM 0 H ASP A 31 -7.698 -9.891 -5.516 1.00 21.41 H new ATOM 0 HA ASP A 31 -8.553 -7.199 -6.410 1.00 34.52 H new ATOM 0 HB2 ASP A 31 -10.033 -8.258 -7.996 1.00 50.32 H new ATOM 0 HB3 ASP A 31 -8.354 -8.549 -8.403 1.00 50.32 H new ATOM 429 N LEU A 32 -10.741 -7.764 -5.150 1.00 10.45 N ATOM 430 CA LEU A 32 -11.714 -7.879 -4.064 1.00 75.42 C ATOM 431 C LEU A 32 -12.335 -9.259 -3.861 1.00 12.33 C ATOM 432 O LEU A 32 -12.287 -9.769 -2.739 1.00 33.01 O ATOM 433 CB LEU A 32 -12.719 -6.732 -4.029 1.00 12.23 C ATOM 434 CG LEU A 32 -12.237 -5.451 -3.313 1.00 30.13 C ATOM 435 CD1 LEU A 32 -12.020 -5.706 -1.829 1.00 35.43 C ATOM 436 CD2 LEU A 32 -10.960 -4.883 -3.932 1.00 14.44 C ATOM 0 H LEU A 32 -10.925 -7.000 -5.800 1.00 10.45 H new ATOM 0 HA LEU A 32 -11.103 -7.767 -3.168 1.00 75.42 H new ATOM 0 HB2 LEU A 32 -12.988 -6.476 -5.054 1.00 12.23 H new ATOM 0 HB3 LEU A 32 -13.627 -7.082 -3.539 1.00 12.23 H new ATOM 0 HG LEU A 32 -13.026 -4.710 -3.440 1.00 30.13 H new ATOM 0 HD11 LEU A 32 -11.681 -4.789 -1.348 1.00 35.43 H new ATOM 0 HD12 LEU A 32 -12.957 -6.029 -1.375 1.00 35.43 H new ATOM 0 HD13 LEU A 32 -11.267 -6.483 -1.700 1.00 35.43 H new ATOM 0 HD21 LEU A 32 -10.663 -3.984 -3.393 1.00 14.44 H new ATOM 0 HD22 LEU A 32 -10.163 -5.624 -3.867 1.00 14.44 H new ATOM 0 HD23 LEU A 32 -11.142 -4.636 -4.978 1.00 14.44 H new ATOM 448 N PRO A 33 -12.913 -9.910 -4.900 1.00 74.15 N ATOM 449 CA PRO A 33 -13.393 -11.275 -4.750 1.00 63.05 C ATOM 450 C PRO A 33 -12.268 -12.237 -4.312 1.00 13.10 C ATOM 451 O PRO A 33 -12.510 -13.181 -3.543 1.00 1.05 O ATOM 452 CB PRO A 33 -13.937 -11.676 -6.126 1.00 12.43 C ATOM 453 CG PRO A 33 -13.653 -10.542 -7.054 1.00 53.25 C ATOM 454 CD PRO A 33 -13.207 -9.358 -6.238 1.00 14.44 C ATOM 0 HA PRO A 33 -14.156 -11.333 -3.973 1.00 63.05 H new ATOM 0 HB2 PRO A 33 -13.460 -12.591 -6.478 1.00 12.43 H new ATOM 0 HB3 PRO A 33 -15.008 -11.874 -6.075 1.00 12.43 H new ATOM 0 HG2 PRO A 33 -12.880 -10.822 -7.769 1.00 53.25 H new ATOM 0 HG3 PRO A 33 -14.544 -10.291 -7.630 1.00 53.25 H new ATOM 0 HD2 PRO A 33 -12.326 -8.887 -6.674 1.00 14.44 H new ATOM 0 HD3 PRO A 33 -13.985 -8.596 -6.189 1.00 14.44 H new ATOM 462 N ARG A 34 -11.036 -11.986 -4.769 1.00 45.42 N ATOM 463 CA ARG A 34 -9.912 -12.825 -4.400 1.00 22.20 C ATOM 464 C ARG A 34 -9.578 -12.633 -2.922 1.00 74.11 C ATOM 465 O ARG A 34 -9.301 -13.592 -2.214 1.00 61.14 O ATOM 466 CB ARG A 34 -8.682 -12.487 -5.237 1.00 15.14 C ATOM 467 CG ARG A 34 -7.717 -13.631 -5.399 1.00 52.31 C ATOM 468 CD ARG A 34 -8.345 -14.690 -6.275 1.00 2.25 C ATOM 469 NE ARG A 34 -7.495 -15.850 -6.464 1.00 54.51 N ATOM 470 CZ ARG A 34 -7.492 -16.606 -7.557 1.00 5.33 C ATOM 471 NH1 ARG A 34 -8.125 -16.194 -8.672 1.00 52.24 N ATOM 472 NH2 ARG A 34 -6.827 -17.759 -7.558 1.00 13.22 N ATOM 0 H ARG A 34 -10.802 -11.212 -5.390 1.00 45.42 H new ATOM 0 HA ARG A 34 -10.192 -13.862 -4.584 1.00 22.20 H new ATOM 0 HB2 ARG A 34 -9.007 -12.157 -6.224 1.00 15.14 H new ATOM 0 HB3 ARG A 34 -8.161 -11.648 -4.776 1.00 15.14 H new ATOM 0 HG2 ARG A 34 -6.787 -13.278 -5.845 1.00 52.31 H new ATOM 0 HG3 ARG A 34 -7.465 -14.050 -4.425 1.00 52.31 H new ATOM 0 HD2 ARG A 34 -9.289 -15.007 -5.831 1.00 2.25 H new ATOM 0 HD3 ARG A 34 -8.579 -14.257 -7.247 1.00 2.25 H new ATOM 0 HE ARG A 34 -6.858 -16.102 -5.708 1.00 54.51 H new ATOM 0 HH11 ARG A 34 -8.610 -15.297 -8.681 1.00 52.24 H new ATOM 0 HH12 ARG A 34 -8.119 -16.779 -9.508 1.00 52.24 H new ATOM 0 HH21 ARG A 34 -6.323 -18.058 -6.723 1.00 13.22 H new ATOM 0 HH22 ARG A 34 -6.821 -18.344 -8.394 1.00 13.22 H new ATOM 486 N VAL A 35 -9.622 -11.390 -2.467 1.00 53.00 N ATOM 487 CA VAL A 35 -9.319 -11.066 -1.072 1.00 72.02 C ATOM 488 C VAL A 35 -10.387 -11.633 -0.167 1.00 51.42 C ATOM 489 O VAL A 35 -10.085 -12.177 0.901 1.00 43.41 O ATOM 490 CB VAL A 35 -9.174 -9.534 -0.823 1.00 1.05 C ATOM 491 CG1 VAL A 35 -8.859 -9.232 0.635 1.00 54.34 C ATOM 492 CG2 VAL A 35 -8.102 -8.952 -1.702 1.00 24.11 C ATOM 0 H VAL A 35 -9.865 -10.583 -3.042 1.00 53.00 H new ATOM 0 HA VAL A 35 -8.354 -11.519 -0.844 1.00 72.02 H new ATOM 0 HB VAL A 35 -10.131 -9.074 -1.070 1.00 1.05 H new ATOM 0 HG11 VAL A 35 -8.765 -8.155 0.771 1.00 54.34 H new ATOM 0 HG12 VAL A 35 -9.663 -9.609 1.267 1.00 54.34 H new ATOM 0 HG13 VAL A 35 -7.923 -9.716 0.913 1.00 54.34 H new ATOM 0 HG21 VAL A 35 -8.017 -7.882 -1.512 1.00 24.11 H new ATOM 0 HG22 VAL A 35 -7.150 -9.436 -1.484 1.00 24.11 H new ATOM 0 HG23 VAL A 35 -8.361 -9.116 -2.748 1.00 24.11 H new ATOM 502 N ALA A 36 -11.617 -11.542 -0.620 1.00 71.12 N ATOM 503 CA ALA A 36 -12.743 -12.081 0.105 1.00 53.10 C ATOM 504 C ALA A 36 -12.565 -13.579 0.283 1.00 1.34 C ATOM 505 O ALA A 36 -12.795 -14.133 1.359 1.00 52.51 O ATOM 506 CB ALA A 36 -14.037 -11.781 -0.637 1.00 40.31 C ATOM 0 H ALA A 36 -11.864 -11.092 -1.501 1.00 71.12 H new ATOM 0 HA ALA A 36 -12.796 -11.613 1.088 1.00 53.10 H new ATOM 0 HB1 ALA A 36 -14.879 -12.192 -0.081 1.00 40.31 H new ATOM 0 HB2 ALA A 36 -14.159 -10.702 -0.735 1.00 40.31 H new ATOM 0 HB3 ALA A 36 -14.001 -12.233 -1.628 1.00 40.31 H new ATOM 512 N GLU A 37 -12.090 -14.208 -0.770 1.00 14.00 N ATOM 513 CA GLU A 37 -11.857 -15.625 -0.792 1.00 31.13 C ATOM 514 C GLU A 37 -10.694 -15.988 0.136 1.00 21.20 C ATOM 515 O GLU A 37 -10.743 -16.985 0.860 1.00 54.21 O ATOM 516 CB GLU A 37 -11.516 -16.052 -2.205 1.00 52.13 C ATOM 517 CG GLU A 37 -11.952 -17.466 -2.532 1.00 14.20 C ATOM 518 CD GLU A 37 -13.448 -17.615 -2.431 1.00 20.13 C ATOM 519 OE1 GLU A 37 -14.147 -17.329 -3.420 1.00 33.31 O ATOM 520 OE2 GLU A 37 -13.957 -17.991 -1.359 1.00 52.22 O ATOM 0 H GLU A 37 -11.853 -13.738 -1.644 1.00 14.00 H new ATOM 0 HA GLU A 37 -12.757 -16.137 -0.451 1.00 31.13 H new ATOM 0 HB2 GLU A 37 -11.986 -15.364 -2.907 1.00 52.13 H new ATOM 0 HB3 GLU A 37 -10.439 -15.970 -2.351 1.00 52.13 H new ATOM 0 HG2 GLU A 37 -11.626 -17.726 -3.539 1.00 14.20 H new ATOM 0 HG3 GLU A 37 -11.468 -18.165 -1.850 1.00 14.20 H new ATOM 527 N LEU A 38 -9.665 -15.162 0.102 1.00 52.43 N ATOM 528 CA LEU A 38 -8.438 -15.370 0.850 1.00 41.50 C ATOM 529 C LEU A 38 -8.663 -15.205 2.354 1.00 34.35 C ATOM 530 O LEU A 38 -8.176 -16.012 3.155 1.00 31.21 O ATOM 531 CB LEU A 38 -7.377 -14.368 0.375 1.00 5.11 C ATOM 532 CG LEU A 38 -5.981 -14.510 0.981 1.00 61.35 C ATOM 533 CD1 LEU A 38 -5.297 -15.782 0.492 1.00 10.13 C ATOM 534 CD2 LEU A 38 -5.140 -13.287 0.670 1.00 42.53 C ATOM 0 H LEU A 38 -9.658 -14.310 -0.458 1.00 52.43 H new ATOM 0 HA LEU A 38 -8.099 -16.390 0.671 1.00 41.50 H new ATOM 0 HB2 LEU A 38 -7.288 -14.454 -0.708 1.00 5.11 H new ATOM 0 HB3 LEU A 38 -7.740 -13.362 0.587 1.00 5.11 H new ATOM 0 HG LEU A 38 -6.086 -14.586 2.063 1.00 61.35 H new ATOM 0 HD11 LEU A 38 -4.306 -15.857 0.939 1.00 10.13 H new ATOM 0 HD12 LEU A 38 -5.892 -16.649 0.780 1.00 10.13 H new ATOM 0 HD13 LEU A 38 -5.204 -15.751 -0.594 1.00 10.13 H new ATOM 0 HD21 LEU A 38 -4.149 -13.405 1.109 1.00 42.53 H new ATOM 0 HD22 LEU A 38 -5.047 -13.174 -0.410 1.00 42.53 H new ATOM 0 HD23 LEU A 38 -5.618 -12.401 1.087 1.00 42.53 H new ATOM 546 N LEU A 39 -9.393 -14.165 2.728 1.00 11.52 N ATOM 547 CA LEU A 39 -9.639 -13.863 4.132 1.00 72.55 C ATOM 548 C LEU A 39 -10.867 -14.586 4.665 1.00 63.14 C ATOM 549 O LEU A 39 -11.093 -14.631 5.873 1.00 12.03 O ATOM 550 CB LEU A 39 -9.768 -12.351 4.361 1.00 24.24 C ATOM 551 CG LEU A 39 -8.536 -11.493 4.028 1.00 20.51 C ATOM 552 CD1 LEU A 39 -8.821 -10.026 4.313 1.00 51.32 C ATOM 553 CD2 LEU A 39 -7.311 -11.959 4.814 1.00 62.32 C ATOM 0 H LEU A 39 -9.828 -13.512 2.076 1.00 11.52 H new ATOM 0 HA LEU A 39 -8.774 -14.225 4.688 1.00 72.55 H new ATOM 0 HB2 LEU A 39 -10.606 -11.987 3.767 1.00 24.24 H new ATOM 0 HB3 LEU A 39 -10.024 -12.186 5.408 1.00 24.24 H new ATOM 0 HG LEU A 39 -8.320 -11.610 2.966 1.00 20.51 H new ATOM 0 HD11 LEU A 39 -7.940 -9.431 4.073 1.00 51.32 H new ATOM 0 HD12 LEU A 39 -9.661 -9.693 3.703 1.00 51.32 H new ATOM 0 HD13 LEU A 39 -9.066 -9.901 5.368 1.00 51.32 H new ATOM 0 HD21 LEU A 39 -6.455 -11.334 4.558 1.00 62.32 H new ATOM 0 HD22 LEU A 39 -7.512 -11.879 5.882 1.00 62.32 H new ATOM 0 HD23 LEU A 39 -7.091 -12.997 4.563 1.00 62.32 H new ATOM 565 N GLY A 40 -11.668 -15.120 3.770 1.00 61.33 N ATOM 566 CA GLY A 40 -12.840 -15.870 4.174 1.00 4.44 C ATOM 567 C GLY A 40 -13.962 -14.973 4.645 1.00 24.51 C ATOM 568 O GLY A 40 -14.837 -15.397 5.419 1.00 42.44 O ATOM 0 H GLY A 40 -11.532 -15.050 2.762 1.00 61.33 H new ATOM 0 HA2 GLY A 40 -13.188 -16.474 3.336 1.00 4.44 H new ATOM 0 HA3 GLY A 40 -12.569 -16.560 4.974 1.00 4.44 H new ATOM 572 N VAL A 41 -13.940 -13.746 4.193 1.00 63.40 N ATOM 573 CA VAL A 41 -14.938 -12.767 4.562 1.00 4.10 C ATOM 574 C VAL A 41 -15.429 -12.081 3.308 1.00 63.15 C ATOM 575 O VAL A 41 -14.657 -11.884 2.395 1.00 43.31 O ATOM 576 CB VAL A 41 -14.406 -11.684 5.572 1.00 12.40 C ATOM 577 CG1 VAL A 41 -13.986 -12.308 6.890 1.00 11.50 C ATOM 578 CG2 VAL A 41 -13.260 -10.865 4.979 1.00 22.33 C ATOM 0 H VAL A 41 -13.227 -13.393 3.555 1.00 63.40 H new ATOM 0 HA VAL A 41 -15.743 -13.299 5.069 1.00 4.10 H new ATOM 0 HB VAL A 41 -15.236 -11.005 5.767 1.00 12.40 H new ATOM 0 HG11 VAL A 41 -13.624 -11.530 7.562 1.00 11.50 H new ATOM 0 HG12 VAL A 41 -14.840 -12.811 7.343 1.00 11.50 H new ATOM 0 HG13 VAL A 41 -13.191 -13.033 6.713 1.00 11.50 H new ATOM 0 HG21 VAL A 41 -12.923 -10.129 5.709 1.00 22.33 H new ATOM 0 HG22 VAL A 41 -12.433 -11.528 4.723 1.00 22.33 H new ATOM 0 HG23 VAL A 41 -13.605 -10.353 4.081 1.00 22.33 H new ATOM 588 N PRO A 42 -16.714 -11.743 3.232 1.00 75.43 N ATOM 589 CA PRO A 42 -17.275 -11.047 2.074 1.00 41.02 C ATOM 590 C PRO A 42 -16.607 -9.683 1.807 1.00 43.32 C ATOM 591 O PRO A 42 -16.061 -9.036 2.736 1.00 44.13 O ATOM 592 CB PRO A 42 -18.752 -10.858 2.443 1.00 60.45 C ATOM 593 CG PRO A 42 -18.813 -11.066 3.914 1.00 3.22 C ATOM 594 CD PRO A 42 -17.740 -12.048 4.233 1.00 4.15 C ATOM 0 HA PRO A 42 -17.119 -11.615 1.157 1.00 41.02 H new ATOM 0 HB2 PRO A 42 -19.102 -9.862 2.171 1.00 60.45 H new ATOM 0 HB3 PRO A 42 -19.384 -11.573 1.917 1.00 60.45 H new ATOM 0 HG2 PRO A 42 -18.656 -10.129 4.448 1.00 3.22 H new ATOM 0 HG3 PRO A 42 -19.790 -11.444 4.215 1.00 3.22 H new ATOM 0 HD2 PRO A 42 -17.365 -11.922 5.249 1.00 4.15 H new ATOM 0 HD3 PRO A 42 -18.094 -13.076 4.150 1.00 4.15 H new ATOM 602 N VAL A 43 -16.680 -9.252 0.544 1.00 24.50 N ATOM 603 CA VAL A 43 -16.106 -7.980 0.064 1.00 4.24 C ATOM 604 C VAL A 43 -16.536 -6.795 0.942 1.00 62.15 C ATOM 605 O VAL A 43 -15.742 -5.892 1.204 1.00 50.52 O ATOM 606 CB VAL A 43 -16.502 -7.712 -1.429 1.00 30.12 C ATOM 607 CG1 VAL A 43 -16.027 -6.343 -1.910 1.00 3.33 C ATOM 608 CG2 VAL A 43 -15.933 -8.795 -2.332 1.00 5.51 C ATOM 0 H VAL A 43 -17.147 -9.783 -0.191 1.00 24.50 H new ATOM 0 HA VAL A 43 -15.022 -8.075 0.129 1.00 4.24 H new ATOM 0 HB VAL A 43 -17.591 -7.728 -1.479 1.00 30.12 H new ATOM 0 HG11 VAL A 43 -16.323 -6.200 -2.949 1.00 3.33 H new ATOM 0 HG12 VAL A 43 -16.477 -5.565 -1.294 1.00 3.33 H new ATOM 0 HG13 VAL A 43 -14.941 -6.286 -1.831 1.00 3.33 H new ATOM 0 HG21 VAL A 43 -16.217 -8.594 -3.365 1.00 5.51 H new ATOM 0 HG22 VAL A 43 -14.846 -8.803 -2.250 1.00 5.51 H new ATOM 0 HG23 VAL A 43 -16.327 -9.765 -2.030 1.00 5.51 H new ATOM 618 N SER A 44 -17.766 -6.840 1.431 1.00 54.24 N ATOM 619 CA SER A 44 -18.308 -5.802 2.285 1.00 71.01 C ATOM 620 C SER A 44 -17.431 -5.614 3.551 1.00 33.22 C ATOM 621 O SER A 44 -17.119 -4.482 3.936 1.00 53.52 O ATOM 622 CB SER A 44 -19.756 -6.156 2.663 1.00 61.03 C ATOM 623 OG SER A 44 -20.374 -5.135 3.427 1.00 14.41 O ATOM 0 H SER A 44 -18.417 -7.603 1.244 1.00 54.24 H new ATOM 0 HA SER A 44 -18.305 -4.856 1.743 1.00 71.01 H new ATOM 0 HB2 SER A 44 -20.335 -6.329 1.756 1.00 61.03 H new ATOM 0 HB3 SER A 44 -19.765 -7.087 3.229 1.00 61.03 H new ATOM 0 HG SER A 44 -21.292 -5.399 3.644 1.00 14.41 H new ATOM 629 N LYS A 45 -17.000 -6.721 4.155 1.00 41.10 N ATOM 630 CA LYS A 45 -16.157 -6.665 5.345 1.00 11.12 C ATOM 631 C LYS A 45 -14.769 -6.149 5.004 1.00 34.11 C ATOM 632 O LYS A 45 -14.161 -5.413 5.782 1.00 22.34 O ATOM 633 CB LYS A 45 -16.087 -8.016 6.057 1.00 13.05 C ATOM 634 CG LYS A 45 -17.413 -8.466 6.649 1.00 2.40 C ATOM 635 CD LYS A 45 -17.269 -9.783 7.396 1.00 52.13 C ATOM 636 CE LYS A 45 -18.579 -10.221 8.028 1.00 0.31 C ATOM 637 NZ LYS A 45 -19.090 -9.248 9.015 1.00 12.11 N ATOM 0 H LYS A 45 -17.221 -7.665 3.839 1.00 41.10 H new ATOM 0 HA LYS A 45 -16.618 -5.961 6.038 1.00 11.12 H new ATOM 0 HB2 LYS A 45 -15.740 -8.771 5.351 1.00 13.05 H new ATOM 0 HB3 LYS A 45 -15.345 -7.959 6.853 1.00 13.05 H new ATOM 0 HG2 LYS A 45 -17.789 -7.700 7.328 1.00 2.40 H new ATOM 0 HG3 LYS A 45 -18.150 -8.576 5.853 1.00 2.40 H new ATOM 0 HD2 LYS A 45 -16.922 -10.554 6.709 1.00 52.13 H new ATOM 0 HD3 LYS A 45 -16.509 -9.680 8.170 1.00 52.13 H new ATOM 0 HE2 LYS A 45 -19.325 -10.365 7.246 1.00 0.31 H new ATOM 0 HE3 LYS A 45 -18.438 -11.186 8.515 1.00 0.31 H new ATOM 0 HZ1 LYS A 45 -19.853 -9.685 9.570 1.00 12.11 H new ATOM 0 HZ2 LYS A 45 -18.319 -8.962 9.652 1.00 12.11 H new ATOM 0 HZ3 LYS A 45 -19.458 -8.411 8.519 1.00 12.11 H new ATOM 651 N VAL A 46 -14.282 -6.521 3.829 1.00 2.12 N ATOM 652 CA VAL A 46 -12.979 -6.049 3.359 1.00 40.15 C ATOM 653 C VAL A 46 -13.032 -4.539 3.142 1.00 54.15 C ATOM 654 O VAL A 46 -12.109 -3.813 3.508 1.00 43.31 O ATOM 655 CB VAL A 46 -12.535 -6.750 2.048 1.00 72.23 C ATOM 656 CG1 VAL A 46 -11.139 -6.294 1.649 1.00 3.13 C ATOM 657 CG2 VAL A 46 -12.582 -8.266 2.193 1.00 43.53 C ATOM 0 H VAL A 46 -14.764 -7.146 3.183 1.00 2.12 H new ATOM 0 HA VAL A 46 -12.244 -6.296 4.125 1.00 40.15 H new ATOM 0 HB VAL A 46 -13.233 -6.467 1.260 1.00 72.23 H new ATOM 0 HG11 VAL A 46 -10.842 -6.795 0.728 1.00 3.13 H new ATOM 0 HG12 VAL A 46 -11.140 -5.215 1.492 1.00 3.13 H new ATOM 0 HG13 VAL A 46 -10.434 -6.545 2.442 1.00 3.13 H new ATOM 0 HG21 VAL A 46 -12.266 -8.731 1.259 1.00 43.53 H new ATOM 0 HG22 VAL A 46 -11.914 -8.576 2.997 1.00 43.53 H new ATOM 0 HG23 VAL A 46 -13.600 -8.578 2.427 1.00 43.53 H new ATOM 667 N ALA A 47 -14.145 -4.077 2.589 1.00 14.52 N ATOM 668 CA ALA A 47 -14.387 -2.661 2.353 1.00 33.03 C ATOM 669 C ALA A 47 -14.336 -1.873 3.655 1.00 70.11 C ATOM 670 O ALA A 47 -13.846 -0.757 3.685 1.00 74.55 O ATOM 671 CB ALA A 47 -15.719 -2.449 1.650 1.00 42.02 C ATOM 0 H ALA A 47 -14.911 -4.680 2.289 1.00 14.52 H new ATOM 0 HA ALA A 47 -13.595 -2.291 1.703 1.00 33.03 H new ATOM 0 HB1 ALA A 47 -15.878 -1.383 1.485 1.00 42.02 H new ATOM 0 HB2 ALA A 47 -15.711 -2.968 0.691 1.00 42.02 H new ATOM 0 HB3 ALA A 47 -16.524 -2.844 2.270 1.00 42.02 H new ATOM 677 N GLN A 48 -14.825 -2.474 4.729 1.00 34.34 N ATOM 678 CA GLN A 48 -14.802 -1.831 6.046 1.00 32.10 C ATOM 679 C GLN A 48 -13.364 -1.649 6.533 1.00 24.25 C ATOM 680 O GLN A 48 -13.009 -0.607 7.091 1.00 63.30 O ATOM 681 CB GLN A 48 -15.623 -2.626 7.067 1.00 50.22 C ATOM 682 CG GLN A 48 -17.118 -2.738 6.748 1.00 71.02 C ATOM 683 CD GLN A 48 -17.862 -1.396 6.736 1.00 55.32 C ATOM 684 OE1 GLN A 48 -17.310 -0.344 6.405 1.00 55.22 O ATOM 685 NE2 GLN A 48 -19.112 -1.424 7.105 1.00 21.11 N ATOM 0 H GLN A 48 -15.243 -3.404 4.721 1.00 34.34 H new ATOM 0 HA GLN A 48 -15.259 -0.847 5.945 1.00 32.10 H new ATOM 0 HB2 GLN A 48 -15.207 -3.630 7.143 1.00 50.22 H new ATOM 0 HB3 GLN A 48 -15.509 -2.159 8.045 1.00 50.22 H new ATOM 0 HG2 GLN A 48 -17.235 -3.214 5.775 1.00 71.02 H new ATOM 0 HG3 GLN A 48 -17.586 -3.394 7.482 1.00 71.02 H new ATOM 0 HE21 GLN A 48 -19.545 -2.308 7.374 1.00 21.11 H new ATOM 0 HE22 GLN A 48 -19.657 -0.562 7.125 1.00 21.11 H new ATOM 694 N GLN A 49 -12.533 -2.654 6.288 1.00 51.11 N ATOM 695 CA GLN A 49 -11.104 -2.594 6.628 1.00 11.30 C ATOM 696 C GLN A 49 -10.448 -1.487 5.830 1.00 60.41 C ATOM 697 O GLN A 49 -9.683 -0.660 6.356 1.00 64.33 O ATOM 698 CB GLN A 49 -10.425 -3.902 6.274 1.00 70.03 C ATOM 699 CG GLN A 49 -11.011 -5.093 6.963 1.00 41.02 C ATOM 700 CD GLN A 49 -10.290 -6.367 6.608 1.00 74.44 C ATOM 701 OE1 GLN A 49 -9.095 -6.361 6.312 1.00 2.13 O ATOM 702 NE2 GLN A 49 -10.996 -7.461 6.640 1.00 42.44 N ATOM 0 H GLN A 49 -12.820 -3.530 5.852 1.00 51.11 H new ATOM 0 HA GLN A 49 -11.006 -2.408 7.698 1.00 11.30 H new ATOM 0 HB2 GLN A 49 -10.485 -4.052 5.196 1.00 70.03 H new ATOM 0 HB3 GLN A 49 -9.367 -3.832 6.527 1.00 70.03 H new ATOM 0 HG2 GLN A 49 -10.970 -4.943 8.042 1.00 41.02 H new ATOM 0 HG3 GLN A 49 -12.063 -5.186 6.693 1.00 41.02 H new ATOM 0 HE21 GLN A 49 -11.984 -7.423 6.890 1.00 42.44 H new ATOM 0 HE22 GLN A 49 -10.561 -8.356 6.415 1.00 42.44 H new ATOM 711 N LEU A 50 -10.793 -1.461 4.570 1.00 60.42 N ATOM 712 CA LEU A 50 -10.300 -0.471 3.624 1.00 64.52 C ATOM 713 C LEU A 50 -10.734 0.936 4.045 1.00 1.30 C ATOM 714 O LEU A 50 -9.982 1.897 3.896 1.00 52.14 O ATOM 715 CB LEU A 50 -10.809 -0.805 2.213 1.00 24.54 C ATOM 716 CG LEU A 50 -10.233 -2.076 1.566 1.00 24.31 C ATOM 717 CD1 LEU A 50 -10.974 -2.404 0.285 1.00 4.44 C ATOM 718 CD2 LEU A 50 -8.756 -1.899 1.267 1.00 22.24 C ATOM 0 H LEU A 50 -11.436 -2.136 4.156 1.00 60.42 H new ATOM 0 HA LEU A 50 -9.210 -0.495 3.616 1.00 64.52 H new ATOM 0 HB2 LEU A 50 -11.894 -0.903 2.255 1.00 24.54 H new ATOM 0 HB3 LEU A 50 -10.590 0.041 1.561 1.00 24.54 H new ATOM 0 HG LEU A 50 -10.358 -2.899 2.270 1.00 24.31 H new ATOM 0 HD11 LEU A 50 -10.552 -3.306 -0.158 1.00 4.44 H new ATOM 0 HD12 LEU A 50 -12.029 -2.567 0.506 1.00 4.44 H new ATOM 0 HD13 LEU A 50 -10.874 -1.575 -0.415 1.00 4.44 H new ATOM 0 HD21 LEU A 50 -8.366 -2.808 0.810 1.00 22.24 H new ATOM 0 HD22 LEU A 50 -8.621 -1.062 0.582 1.00 22.24 H new ATOM 0 HD23 LEU A 50 -8.218 -1.700 2.194 1.00 22.24 H new ATOM 730 N ARG A 51 -11.926 1.040 4.612 1.00 54.44 N ATOM 731 CA ARG A 51 -12.433 2.306 5.120 1.00 73.13 C ATOM 732 C ARG A 51 -11.618 2.822 6.295 1.00 34.20 C ATOM 733 O ARG A 51 -11.433 4.031 6.439 1.00 63.34 O ATOM 734 CB ARG A 51 -13.920 2.231 5.501 1.00 15.45 C ATOM 735 CG ARG A 51 -14.886 2.198 4.326 1.00 51.41 C ATOM 736 CD ARG A 51 -14.730 3.441 3.469 1.00 72.22 C ATOM 737 NE ARG A 51 -15.750 3.544 2.431 1.00 45.52 N ATOM 738 CZ ARG A 51 -15.667 4.331 1.358 1.00 21.10 C ATOM 739 NH1 ARG A 51 -14.550 5.017 1.128 1.00 52.13 N ATOM 740 NH2 ARG A 51 -16.706 4.433 0.522 1.00 61.33 N ATOM 0 H ARG A 51 -12.566 0.255 4.733 1.00 54.44 H new ATOM 0 HA ARG A 51 -12.331 3.015 4.298 1.00 73.13 H new ATOM 0 HB2 ARG A 51 -14.079 1.339 6.107 1.00 15.45 H new ATOM 0 HB3 ARG A 51 -14.163 3.090 6.127 1.00 15.45 H new ATOM 0 HG2 ARG A 51 -14.703 1.309 3.723 1.00 51.41 H new ATOM 0 HG3 ARG A 51 -15.910 2.129 4.692 1.00 51.41 H new ATOM 0 HD2 ARG A 51 -14.776 4.324 4.106 1.00 72.22 H new ATOM 0 HD3 ARG A 51 -13.744 3.435 3.004 1.00 72.22 H new ATOM 0 HE ARG A 51 -16.588 2.972 2.534 1.00 45.52 H new ATOM 0 HH11 ARG A 51 -13.762 4.939 1.771 1.00 52.13 H new ATOM 0 HH12 ARG A 51 -14.482 5.620 0.308 1.00 52.13 H new ATOM 0 HH21 ARG A 51 -17.562 3.909 0.705 1.00 61.33 H new ATOM 0 HH22 ARG A 51 -16.643 5.035 -0.299 1.00 61.33 H new ATOM 754 N GLU A 52 -11.107 1.923 7.121 1.00 22.00 N ATOM 755 CA GLU A 52 -10.337 2.350 8.279 1.00 22.15 C ATOM 756 C GLU A 52 -8.888 2.598 7.918 1.00 1.04 C ATOM 757 O GLU A 52 -8.139 3.208 8.689 1.00 41.14 O ATOM 758 CB GLU A 52 -10.397 1.326 9.397 1.00 51.32 C ATOM 759 CG GLU A 52 -11.779 1.066 9.937 1.00 40.40 C ATOM 760 CD GLU A 52 -11.731 0.214 11.162 1.00 70.34 C ATOM 761 OE1 GLU A 52 -11.545 0.767 12.258 1.00 2.33 O ATOM 762 OE2 GLU A 52 -11.865 -1.022 11.060 1.00 60.04 O ATOM 0 H GLU A 52 -11.208 0.913 7.016 1.00 22.00 H new ATOM 0 HA GLU A 52 -10.787 3.281 8.624 1.00 22.15 H new ATOM 0 HB2 GLU A 52 -9.981 0.386 9.034 1.00 51.32 H new ATOM 0 HB3 GLU A 52 -9.759 1.662 10.214 1.00 51.32 H new ATOM 0 HG2 GLU A 52 -12.265 2.013 10.169 1.00 40.40 H new ATOM 0 HG3 GLU A 52 -12.384 0.576 9.174 1.00 40.40 H new ATOM 769 N GLY A 53 -8.502 2.170 6.747 1.00 62.02 N ATOM 770 CA GLY A 53 -7.128 2.286 6.351 1.00 72.21 C ATOM 771 C GLY A 53 -6.312 1.155 6.934 1.00 50.05 C ATOM 772 O GLY A 53 -5.164 1.336 7.320 1.00 14.31 O ATOM 0 H GLY A 53 -9.116 1.741 6.055 1.00 62.02 H new ATOM 0 HA2 GLY A 53 -7.054 2.273 5.264 1.00 72.21 H new ATOM 0 HA3 GLY A 53 -6.726 3.242 6.686 1.00 72.21 H new ATOM 776 N HIS A 54 -6.938 -0.004 7.037 1.00 2.32 N ATOM 777 CA HIS A 54 -6.276 -1.213 7.520 1.00 53.42 C ATOM 778 C HIS A 54 -5.503 -1.843 6.367 1.00 3.55 C ATOM 779 O HIS A 54 -4.551 -2.582 6.562 1.00 71.22 O ATOM 780 CB HIS A 54 -7.341 -2.200 8.070 1.00 44.50 C ATOM 781 CG HIS A 54 -6.815 -3.547 8.514 1.00 5.43 C ATOM 782 ND1 HIS A 54 -7.080 -4.738 7.860 1.00 25.42 N ATOM 783 CD2 HIS A 54 -6.035 -3.872 9.570 1.00 42.14 C ATOM 784 CE1 HIS A 54 -6.467 -5.714 8.518 1.00 52.53 C ATOM 785 NE2 HIS A 54 -5.812 -5.245 9.570 1.00 61.42 N ATOM 0 H HIS A 54 -7.918 -0.138 6.790 1.00 2.32 H new ATOM 0 HA HIS A 54 -5.582 -0.970 8.325 1.00 53.42 H new ATOM 0 HB2 HIS A 54 -7.844 -1.730 8.915 1.00 44.50 H new ATOM 0 HB3 HIS A 54 -8.095 -2.360 7.299 1.00 44.50 H new ATOM 0 HD1 HIS A 54 -7.647 -4.846 7.019 1.00 25.42 H new ATOM 0 HD2 HIS A 54 -5.647 -3.175 10.298 1.00 42.14 H new ATOM 0 HE1 HIS A 54 -6.498 -6.755 8.233 1.00 52.53 H new ATOM 793 N LEU A 55 -5.913 -1.495 5.184 1.00 30.52 N ATOM 794 CA LEU A 55 -5.374 -2.020 3.973 1.00 25.11 C ATOM 795 C LEU A 55 -5.574 -0.940 2.923 1.00 41.15 C ATOM 796 O LEU A 55 -6.433 -0.070 3.114 1.00 0.00 O ATOM 797 CB LEU A 55 -6.152 -3.309 3.625 1.00 74.00 C ATOM 798 CG LEU A 55 -5.737 -4.097 2.380 1.00 53.12 C ATOM 799 CD1 LEU A 55 -4.293 -4.561 2.483 1.00 4.44 C ATOM 800 CD2 LEU A 55 -6.665 -5.287 2.203 1.00 52.30 C ATOM 0 H LEU A 55 -6.658 -0.814 5.034 1.00 30.52 H new ATOM 0 HA LEU A 55 -4.317 -2.276 4.043 1.00 25.11 H new ATOM 0 HB2 LEU A 55 -6.082 -3.980 4.481 1.00 74.00 H new ATOM 0 HB3 LEU A 55 -7.203 -3.042 3.514 1.00 74.00 H new ATOM 0 HG LEU A 55 -5.814 -3.445 1.510 1.00 53.12 H new ATOM 0 HD11 LEU A 55 -4.025 -5.118 1.585 1.00 4.44 H new ATOM 0 HD12 LEU A 55 -3.639 -3.695 2.582 1.00 4.44 H new ATOM 0 HD13 LEU A 55 -4.179 -5.203 3.356 1.00 4.44 H new ATOM 0 HD21 LEU A 55 -6.371 -5.849 1.317 1.00 52.30 H new ATOM 0 HD22 LEU A 55 -6.601 -5.932 3.080 1.00 52.30 H new ATOM 0 HD23 LEU A 55 -7.690 -4.935 2.086 1.00 52.30 H new ATOM 812 N VAL A 56 -4.801 -0.962 1.854 1.00 54.33 N ATOM 813 CA VAL A 56 -4.904 0.054 0.818 1.00 23.32 C ATOM 814 C VAL A 56 -5.048 -0.639 -0.526 1.00 54.31 C ATOM 815 O VAL A 56 -4.484 -1.717 -0.735 1.00 65.51 O ATOM 816 CB VAL A 56 -3.616 0.965 0.789 1.00 4.42 C ATOM 817 CG1 VAL A 56 -3.689 2.039 -0.293 1.00 73.15 C ATOM 818 CG2 VAL A 56 -3.377 1.616 2.137 1.00 51.52 C ATOM 0 H VAL A 56 -4.092 -1.674 1.678 1.00 54.33 H new ATOM 0 HA VAL A 56 -5.769 0.684 1.026 1.00 23.32 H new ATOM 0 HB VAL A 56 -2.780 0.307 0.554 1.00 4.42 H new ATOM 0 HG11 VAL A 56 -2.779 2.639 -0.272 1.00 73.15 H new ATOM 0 HG12 VAL A 56 -3.789 1.565 -1.270 1.00 73.15 H new ATOM 0 HG13 VAL A 56 -4.551 2.681 -0.111 1.00 73.15 H new ATOM 0 HG21 VAL A 56 -2.483 2.238 2.087 1.00 51.52 H new ATOM 0 HG22 VAL A 56 -4.235 2.235 2.400 1.00 51.52 H new ATOM 0 HG23 VAL A 56 -3.241 0.844 2.895 1.00 51.52 H new ATOM 828 N ALA A 57 -5.798 -0.033 -1.413 1.00 10.55 N ATOM 829 CA ALA A 57 -5.997 -0.545 -2.733 1.00 1.52 C ATOM 830 C ALA A 57 -5.469 0.467 -3.716 1.00 61.21 C ATOM 831 O ALA A 57 -5.329 1.648 -3.380 1.00 44.13 O ATOM 832 CB ALA A 57 -7.473 -0.800 -2.979 1.00 74.44 C ATOM 0 H ALA A 57 -6.291 0.841 -1.229 1.00 10.55 H new ATOM 0 HA ALA A 57 -5.468 -1.490 -2.852 1.00 1.52 H new ATOM 0 HB1 ALA A 57 -7.612 -1.190 -3.987 1.00 74.44 H new ATOM 0 HB2 ALA A 57 -7.842 -1.527 -2.255 1.00 74.44 H new ATOM 0 HB3 ALA A 57 -8.026 0.133 -2.871 1.00 74.44 H new ATOM 838 N VAL A 58 -5.167 0.033 -4.902 1.00 5.14 N ATOM 839 CA VAL A 58 -4.652 0.907 -5.917 1.00 74.03 C ATOM 840 C VAL A 58 -5.366 0.708 -7.215 1.00 21.35 C ATOM 841 O VAL A 58 -6.030 -0.311 -7.435 1.00 2.45 O ATOM 842 CB VAL A 58 -3.123 0.787 -6.128 1.00 64.00 C ATOM 843 CG1 VAL A 58 -2.397 1.303 -4.912 1.00 12.15 C ATOM 844 CG2 VAL A 58 -2.716 -0.653 -6.435 1.00 53.52 C ATOM 0 H VAL A 58 -5.270 -0.938 -5.196 1.00 5.14 H new ATOM 0 HA VAL A 58 -4.838 1.917 -5.551 1.00 74.03 H new ATOM 0 HB VAL A 58 -2.845 1.394 -6.990 1.00 64.00 H new ATOM 0 HG11 VAL A 58 -1.321 1.216 -5.066 1.00 12.15 H new ATOM 0 HG12 VAL A 58 -2.657 2.349 -4.750 1.00 12.15 H new ATOM 0 HG13 VAL A 58 -2.687 0.718 -4.039 1.00 12.15 H new ATOM 0 HG21 VAL A 58 -1.637 -0.703 -6.578 1.00 53.52 H new ATOM 0 HG22 VAL A 58 -3.002 -1.297 -5.604 1.00 53.52 H new ATOM 0 HG23 VAL A 58 -3.218 -0.987 -7.343 1.00 53.52 H new ATOM 854 N ARG A 59 -5.224 1.665 -8.055 1.00 1.43 N ATOM 855 CA ARG A 59 -5.865 1.684 -9.314 1.00 11.12 C ATOM 856 C ARG A 59 -4.795 1.498 -10.377 1.00 14.51 C ATOM 857 O ARG A 59 -3.890 2.321 -10.498 1.00 24.45 O ATOM 858 CB ARG A 59 -6.542 3.049 -9.445 1.00 52.23 C ATOM 859 CG ARG A 59 -7.489 3.241 -10.611 1.00 61.02 C ATOM 860 CD ARG A 59 -8.044 4.654 -10.558 1.00 13.44 C ATOM 861 NE ARG A 59 -9.058 4.934 -11.579 1.00 1.13 N ATOM 862 CZ ARG A 59 -9.868 6.008 -11.553 1.00 32.12 C ATOM 863 NH1 ARG A 59 -9.784 6.887 -10.551 1.00 43.45 N ATOM 864 NH2 ARG A 59 -10.758 6.202 -12.520 1.00 43.13 N ATOM 0 H ARG A 59 -4.640 2.482 -7.879 1.00 1.43 H new ATOM 0 HA ARG A 59 -6.610 0.896 -9.424 1.00 11.12 H new ATOM 0 HB2 ARG A 59 -7.094 3.242 -8.525 1.00 52.23 H new ATOM 0 HB3 ARG A 59 -5.763 3.808 -9.514 1.00 52.23 H new ATOM 0 HG2 ARG A 59 -6.967 3.075 -11.553 1.00 61.02 H new ATOM 0 HG3 ARG A 59 -8.300 2.514 -10.563 1.00 61.02 H new ATOM 0 HD2 ARG A 59 -8.477 4.827 -9.573 1.00 13.44 H new ATOM 0 HD3 ARG A 59 -7.222 5.361 -10.673 1.00 13.44 H new ATOM 0 HE ARG A 59 -9.155 4.277 -12.353 1.00 1.13 H new ATOM 0 HH11 ARG A 59 -9.105 6.745 -9.803 1.00 43.45 H new ATOM 0 HH12 ARG A 59 -10.399 7.701 -10.533 1.00 43.45 H new ATOM 0 HH21 ARG A 59 -10.830 5.535 -13.288 1.00 43.13 H new ATOM 0 HH22 ARG A 59 -11.369 7.018 -12.494 1.00 43.13 H new ATOM 878 N ARG A 60 -4.871 0.402 -11.093 1.00 73.44 N ATOM 879 CA ARG A 60 -3.931 0.114 -12.153 1.00 32.34 C ATOM 880 C ARG A 60 -4.745 -0.265 -13.374 1.00 25.31 C ATOM 881 O ARG A 60 -5.704 -1.045 -13.261 1.00 51.41 O ATOM 882 CB ARG A 60 -2.924 -1.015 -11.750 1.00 53.22 C ATOM 883 CG ARG A 60 -3.487 -2.433 -11.746 1.00 63.24 C ATOM 884 CD ARG A 60 -2.580 -3.436 -11.028 1.00 41.02 C ATOM 885 NE ARG A 60 -1.197 -3.540 -11.539 1.00 31.10 N ATOM 886 CZ ARG A 60 -0.389 -4.600 -11.288 1.00 60.51 C ATOM 887 NH1 ARG A 60 -0.903 -5.765 -10.907 1.00 1.41 N ATOM 888 NH2 ARG A 60 0.913 -4.508 -11.482 1.00 53.12 N ATOM 0 H ARG A 60 -5.584 -0.315 -10.959 1.00 73.44 H new ATOM 0 HA ARG A 60 -3.315 0.988 -12.363 1.00 32.34 H new ATOM 0 HB2 ARG A 60 -2.077 -0.982 -12.435 1.00 53.22 H new ATOM 0 HB3 ARG A 60 -2.538 -0.794 -10.755 1.00 53.22 H new ATOM 0 HG2 ARG A 60 -4.465 -2.428 -11.266 1.00 63.24 H new ATOM 0 HG3 ARG A 60 -3.639 -2.760 -12.775 1.00 63.24 H new ATOM 0 HD2 ARG A 60 -2.537 -3.166 -9.973 1.00 41.02 H new ATOM 0 HD3 ARG A 60 -3.043 -4.421 -11.087 1.00 41.02 H new ATOM 0 HE ARG A 60 -0.832 -2.777 -12.109 1.00 31.10 H new ATOM 0 HH11 ARG A 60 -1.912 -5.867 -10.801 1.00 1.41 H new ATOM 0 HH12 ARG A 60 -0.288 -6.557 -10.720 1.00 1.41 H new ATOM 0 HH21 ARG A 60 1.317 -3.636 -11.823 1.00 53.12 H new ATOM 0 HH22 ARG A 60 1.515 -5.309 -11.291 1.00 53.12 H new ATOM 902 N ALA A 61 -4.442 0.362 -14.509 1.00 4.34 N ATOM 903 CA ALA A 61 -5.160 0.150 -15.781 1.00 71.30 C ATOM 904 C ALA A 61 -6.638 0.554 -15.650 1.00 75.22 C ATOM 905 O ALA A 61 -7.486 0.172 -16.464 1.00 64.40 O ATOM 906 CB ALA A 61 -5.025 -1.301 -16.256 1.00 34.14 C ATOM 0 H ALA A 61 -3.684 1.041 -14.580 1.00 4.34 H new ATOM 0 HA ALA A 61 -4.702 0.790 -16.535 1.00 71.30 H new ATOM 0 HB1 ALA A 61 -5.564 -1.428 -17.195 1.00 34.14 H new ATOM 0 HB2 ALA A 61 -3.972 -1.538 -16.407 1.00 34.14 H new ATOM 0 HB3 ALA A 61 -5.443 -1.970 -15.504 1.00 34.14 H new ATOM 912 N GLY A 62 -6.931 1.341 -14.628 1.00 63.12 N ATOM 913 CA GLY A 62 -8.277 1.779 -14.379 1.00 31.41 C ATOM 914 C GLY A 62 -8.995 0.895 -13.382 1.00 14.15 C ATOM 915 O GLY A 62 -10.019 1.288 -12.825 1.00 42.12 O ATOM 0 H GLY A 62 -6.243 1.687 -13.958 1.00 63.12 H new ATOM 0 HA2 GLY A 62 -8.260 2.803 -14.006 1.00 31.41 H new ATOM 0 HA3 GLY A 62 -8.832 1.790 -15.317 1.00 31.41 H new ATOM 919 N GLY A 63 -8.435 -0.267 -13.118 1.00 0.32 N ATOM 920 CA GLY A 63 -9.062 -1.212 -12.234 1.00 50.32 C ATOM 921 C GLY A 63 -8.544 -1.097 -10.832 1.00 12.43 C ATOM 922 O GLY A 63 -7.369 -0.784 -10.622 1.00 71.43 O ATOM 0 H GLY A 63 -7.544 -0.575 -13.507 1.00 0.32 H new ATOM 0 HA2 GLY A 63 -10.140 -1.051 -12.237 1.00 50.32 H new ATOM 0 HA3 GLY A 63 -8.890 -2.223 -12.603 1.00 50.32 H new ATOM 926 N VAL A 64 -9.401 -1.343 -9.877 1.00 43.33 N ATOM 927 CA VAL A 64 -9.024 -1.272 -8.489 1.00 63.42 C ATOM 928 C VAL A 64 -8.702 -2.672 -7.978 1.00 50.31 C ATOM 929 O VAL A 64 -9.530 -3.597 -8.066 1.00 31.51 O ATOM 930 CB VAL A 64 -10.140 -0.627 -7.622 1.00 75.24 C ATOM 931 CG1 VAL A 64 -9.710 -0.535 -6.165 1.00 31.42 C ATOM 932 CG2 VAL A 64 -10.505 0.757 -8.151 1.00 31.15 C ATOM 0 H VAL A 64 -10.376 -1.597 -10.037 1.00 43.33 H new ATOM 0 HA VAL A 64 -8.141 -0.638 -8.408 1.00 63.42 H new ATOM 0 HB VAL A 64 -11.021 -1.266 -7.683 1.00 75.24 H new ATOM 0 HG11 VAL A 64 -10.508 -0.080 -5.578 1.00 31.42 H new ATOM 0 HG12 VAL A 64 -9.503 -1.535 -5.783 1.00 31.42 H new ATOM 0 HG13 VAL A 64 -8.810 0.076 -6.089 1.00 31.42 H new ATOM 0 HG21 VAL A 64 -11.288 1.190 -7.529 1.00 31.15 H new ATOM 0 HG22 VAL A 64 -9.625 1.400 -8.126 1.00 31.15 H new ATOM 0 HG23 VAL A 64 -10.863 0.672 -9.177 1.00 31.15 H new ATOM 942 N VAL A 65 -7.490 -2.816 -7.496 1.00 53.40 N ATOM 943 CA VAL A 65 -6.940 -4.048 -6.972 1.00 51.24 C ATOM 944 C VAL A 65 -6.111 -3.721 -5.747 1.00 1.42 C ATOM 945 O VAL A 65 -5.803 -2.567 -5.497 1.00 63.40 O ATOM 946 CB VAL A 65 -6.032 -4.765 -8.015 1.00 15.10 C ATOM 947 CG1 VAL A 65 -6.852 -5.365 -9.151 1.00 54.03 C ATOM 948 CG2 VAL A 65 -5.003 -3.800 -8.573 1.00 41.10 C ATOM 0 H VAL A 65 -6.828 -2.041 -7.456 1.00 53.40 H new ATOM 0 HA VAL A 65 -7.766 -4.716 -6.727 1.00 51.24 H new ATOM 0 HB VAL A 65 -5.520 -5.579 -7.501 1.00 15.10 H new ATOM 0 HG11 VAL A 65 -6.186 -5.857 -9.860 1.00 54.03 H new ATOM 0 HG12 VAL A 65 -7.555 -6.094 -8.747 1.00 54.03 H new ATOM 0 HG13 VAL A 65 -7.403 -4.574 -9.660 1.00 54.03 H new ATOM 0 HG21 VAL A 65 -4.377 -4.317 -9.300 1.00 41.10 H new ATOM 0 HG22 VAL A 65 -5.511 -2.967 -9.059 1.00 41.10 H new ATOM 0 HG23 VAL A 65 -4.381 -3.422 -7.762 1.00 41.10 H new ATOM 958 N ILE A 66 -5.752 -4.710 -5.004 1.00 72.42 N ATOM 959 CA ILE A 66 -4.972 -4.520 -3.802 1.00 73.33 C ATOM 960 C ILE A 66 -3.616 -5.194 -3.996 1.00 1.23 C ATOM 961 O ILE A 66 -3.570 -6.295 -4.469 1.00 71.33 O ATOM 962 CB ILE A 66 -5.720 -5.122 -2.573 1.00 20.51 C ATOM 963 CG1 ILE A 66 -7.075 -4.407 -2.394 1.00 72.15 C ATOM 964 CG2 ILE A 66 -4.875 -5.004 -1.308 1.00 71.43 C ATOM 965 CD1 ILE A 66 -7.940 -4.937 -1.271 1.00 33.24 C ATOM 0 H ILE A 66 -5.986 -5.683 -5.203 1.00 72.42 H new ATOM 0 HA ILE A 66 -4.827 -3.456 -3.613 1.00 73.33 H new ATOM 0 HB ILE A 66 -5.897 -6.182 -2.753 1.00 20.51 H new ATOM 0 HG12 ILE A 66 -6.888 -3.348 -2.218 1.00 72.15 H new ATOM 0 HG13 ILE A 66 -7.633 -4.482 -3.327 1.00 72.15 H new ATOM 0 HG21 ILE A 66 -5.419 -5.431 -0.466 1.00 71.43 H new ATOM 0 HG22 ILE A 66 -3.938 -5.543 -1.445 1.00 71.43 H new ATOM 0 HG23 ILE A 66 -4.664 -3.954 -1.108 1.00 71.43 H new ATOM 0 HD11 ILE A 66 -8.869 -4.369 -1.228 1.00 33.24 H new ATOM 0 HD12 ILE A 66 -8.166 -5.988 -1.451 1.00 33.24 H new ATOM 0 HD13 ILE A 66 -7.409 -4.836 -0.324 1.00 33.24 H new ATOM 977 N PRO A 67 -2.494 -4.530 -3.700 1.00 35.31 N ATOM 978 CA PRO A 67 -1.166 -5.137 -3.868 1.00 24.14 C ATOM 979 C PRO A 67 -0.942 -6.345 -2.931 1.00 15.31 C ATOM 980 O PRO A 67 -1.094 -6.232 -1.714 1.00 52.13 O ATOM 981 CB PRO A 67 -0.195 -3.999 -3.513 1.00 52.03 C ATOM 982 CG PRO A 67 -1.011 -2.750 -3.568 1.00 64.52 C ATOM 983 CD PRO A 67 -2.407 -3.148 -3.196 1.00 53.52 C ATOM 0 HA PRO A 67 -1.031 -5.530 -4.876 1.00 24.14 H new ATOM 0 HB2 PRO A 67 0.235 -4.144 -2.522 1.00 52.03 H new ATOM 0 HB3 PRO A 67 0.636 -3.957 -4.218 1.00 52.03 H new ATOM 0 HG2 PRO A 67 -0.623 -2.000 -2.878 1.00 64.52 H new ATOM 0 HG3 PRO A 67 -0.984 -2.310 -4.565 1.00 64.52 H new ATOM 0 HD2 PRO A 67 -2.569 -3.099 -2.119 1.00 53.52 H new ATOM 0 HD3 PRO A 67 -3.150 -2.500 -3.660 1.00 53.52 H new ATOM 991 N GLN A 68 -0.550 -7.492 -3.508 1.00 5.32 N ATOM 992 CA GLN A 68 -0.298 -8.716 -2.752 1.00 55.12 C ATOM 993 C GLN A 68 0.874 -8.549 -1.785 1.00 61.32 C ATOM 994 O GLN A 68 0.977 -9.250 -0.797 1.00 32.34 O ATOM 995 CB GLN A 68 -0.113 -9.888 -3.715 1.00 73.45 C ATOM 996 CG GLN A 68 0.182 -11.237 -3.081 1.00 14.13 C ATOM 997 CD GLN A 68 0.000 -12.382 -4.056 1.00 31.14 C ATOM 998 OE1 GLN A 68 -0.951 -12.247 -4.964 1.00 24.31 O flip ATOM 999 NE2 GLN A 68 0.688 -13.403 -3.975 1.00 42.32 N flip ATOM 0 H GLN A 68 -0.401 -7.591 -4.512 1.00 5.32 H new ATOM 0 HA GLN A 68 -1.165 -8.934 -2.128 1.00 55.12 H new ATOM 0 HB2 GLN A 68 -1.017 -9.983 -4.317 1.00 73.45 H new ATOM 0 HB3 GLN A 68 0.701 -9.645 -4.398 1.00 73.45 H new ATOM 0 HG2 GLN A 68 1.205 -11.243 -2.704 1.00 14.13 H new ATOM 0 HG3 GLN A 68 -0.475 -11.385 -2.224 1.00 14.13 H new ATOM 0 HE21 GLN A 68 1.414 -13.474 -3.262 1.00 42.32 H new ATOM 0 HE22 GLN A 68 0.531 -14.176 -4.621 1.00 42.32 H new ATOM 1008 N VAL A 69 1.750 -7.614 -2.090 1.00 33.10 N ATOM 1009 CA VAL A 69 2.892 -7.297 -1.225 1.00 61.23 C ATOM 1010 C VAL A 69 2.452 -6.646 0.123 1.00 51.25 C ATOM 1011 O VAL A 69 3.269 -6.420 1.000 1.00 23.40 O ATOM 1012 CB VAL A 69 3.918 -6.382 -1.947 1.00 23.32 C ATOM 1013 CG1 VAL A 69 4.487 -7.072 -3.178 1.00 54.22 C ATOM 1014 CG2 VAL A 69 3.294 -5.050 -2.328 1.00 5.44 C ATOM 0 H VAL A 69 1.700 -7.049 -2.938 1.00 33.10 H new ATOM 0 HA VAL A 69 3.373 -8.248 -0.996 1.00 61.23 H new ATOM 0 HB VAL A 69 4.734 -6.188 -1.251 1.00 23.32 H new ATOM 0 HG11 VAL A 69 5.203 -6.412 -3.667 1.00 54.22 H new ATOM 0 HG12 VAL A 69 4.988 -7.993 -2.880 1.00 54.22 H new ATOM 0 HG13 VAL A 69 3.678 -7.306 -3.870 1.00 54.22 H new ATOM 0 HG21 VAL A 69 4.037 -4.431 -2.832 1.00 5.44 H new ATOM 0 HG22 VAL A 69 2.451 -5.221 -2.997 1.00 5.44 H new ATOM 0 HG23 VAL A 69 2.947 -4.541 -1.429 1.00 5.44 H new ATOM 1024 N PHE A 70 1.154 -6.338 0.253 1.00 31.33 N ATOM 1025 CA PHE A 70 0.584 -5.821 1.508 1.00 51.21 C ATOM 1026 C PHE A 70 0.120 -6.987 2.388 1.00 73.44 C ATOM 1027 O PHE A 70 -0.346 -6.809 3.527 1.00 0.31 O ATOM 1028 CB PHE A 70 -0.587 -4.855 1.226 1.00 65.51 C ATOM 1029 CG PHE A 70 -0.175 -3.423 0.940 1.00 41.21 C ATOM 1030 CD1 PHE A 70 0.711 -3.113 -0.074 1.00 10.15 C ATOM 1031 CD2 PHE A 70 -0.662 -2.393 1.725 1.00 61.40 C ATOM 1032 CE1 PHE A 70 1.090 -1.802 -0.303 1.00 12.22 C ATOM 1033 CE2 PHE A 70 -0.290 -1.088 1.509 1.00 71.30 C ATOM 1034 CZ PHE A 70 0.584 -0.787 0.495 1.00 31.11 C ATOM 0 H PHE A 70 0.474 -6.438 -0.500 1.00 31.33 H new ATOM 0 HA PHE A 70 1.357 -5.263 2.037 1.00 51.21 H new ATOM 0 HB2 PHE A 70 -1.154 -5.232 0.375 1.00 65.51 H new ATOM 0 HB3 PHE A 70 -1.259 -4.861 2.084 1.00 65.51 H new ATOM 0 HD1 PHE A 70 1.112 -3.902 -0.694 1.00 10.15 H new ATOM 0 HD2 PHE A 70 -1.350 -2.620 2.526 1.00 61.40 H new ATOM 0 HE1 PHE A 70 1.779 -1.570 -1.102 1.00 12.22 H new ATOM 0 HE2 PHE A 70 -0.684 -0.302 2.135 1.00 71.30 H new ATOM 0 HZ PHE A 70 0.877 0.237 0.319 1.00 31.11 H new ATOM 1044 N PHE A 71 0.253 -8.169 1.843 1.00 4.01 N ATOM 1045 CA PHE A 71 -0.094 -9.397 2.502 1.00 71.43 C ATOM 1046 C PHE A 71 1.154 -10.223 2.641 1.00 61.23 C ATOM 1047 O PHE A 71 2.070 -10.099 1.833 1.00 34.20 O ATOM 1048 CB PHE A 71 -1.124 -10.199 1.689 1.00 41.23 C ATOM 1049 CG PHE A 71 -2.500 -9.599 1.594 1.00 61.42 C ATOM 1050 CD1 PHE A 71 -2.756 -8.527 0.756 1.00 21.30 C ATOM 1051 CD2 PHE A 71 -3.546 -10.130 2.332 1.00 1.21 C ATOM 1052 CE1 PHE A 71 -4.022 -7.997 0.660 1.00 21.21 C ATOM 1053 CE2 PHE A 71 -4.817 -9.606 2.236 1.00 61.43 C ATOM 1054 CZ PHE A 71 -5.056 -8.536 1.399 1.00 74.00 C ATOM 0 H PHE A 71 0.617 -8.305 0.900 1.00 4.01 H new ATOM 0 HA PHE A 71 -0.530 -9.163 3.473 1.00 71.43 H new ATOM 0 HB2 PHE A 71 -0.736 -10.332 0.679 1.00 41.23 H new ATOM 0 HB3 PHE A 71 -1.212 -11.192 2.130 1.00 41.23 H new ATOM 0 HD1 PHE A 71 -1.953 -8.102 0.171 1.00 21.30 H new ATOM 0 HD2 PHE A 71 -3.363 -10.966 2.991 1.00 1.21 H new ATOM 0 HE1 PHE A 71 -4.207 -7.158 0.006 1.00 21.21 H new ATOM 0 HE2 PHE A 71 -5.624 -10.032 2.814 1.00 61.43 H new ATOM 0 HZ PHE A 71 -6.050 -8.121 1.322 1.00 74.00 H new ATOM 1064 N THR A 72 1.188 -11.050 3.637 1.00 3.22 N ATOM 1065 CA THR A 72 2.301 -11.913 3.876 1.00 63.12 C ATOM 1066 C THR A 72 2.190 -13.172 2.998 1.00 5.12 C ATOM 1067 O THR A 72 1.162 -13.377 2.318 1.00 72.14 O ATOM 1068 CB THR A 72 2.369 -12.297 5.370 1.00 5.14 C ATOM 1069 OG1 THR A 72 1.137 -12.920 5.780 1.00 21.34 O ATOM 1070 CG2 THR A 72 2.619 -11.070 6.236 1.00 31.41 C ATOM 0 H THR A 72 0.433 -11.146 4.316 1.00 3.22 H new ATOM 0 HA THR A 72 3.219 -11.387 3.615 1.00 63.12 H new ATOM 0 HB THR A 72 3.195 -12.996 5.498 1.00 5.14 H new ATOM 0 HG1 THR A 72 0.389 -12.311 5.607 1.00 21.34 H new ATOM 0 HG21 THR A 72 2.663 -11.367 7.284 1.00 31.41 H new ATOM 0 HG22 THR A 72 3.564 -10.609 5.950 1.00 31.41 H new ATOM 0 HG23 THR A 72 1.809 -10.354 6.095 1.00 31.41 H new ATOM 1078 N ASN A 73 3.213 -14.024 3.045 1.00 42.34 N ATOM 1079 CA ASN A 73 3.284 -15.261 2.238 1.00 24.51 C ATOM 1080 C ASN A 73 2.087 -16.164 2.527 1.00 62.11 C ATOM 1081 O ASN A 73 1.561 -16.829 1.634 1.00 41.44 O ATOM 1082 CB ASN A 73 4.580 -16.036 2.558 1.00 72.34 C ATOM 1083 CG ASN A 73 4.772 -17.293 1.712 1.00 55.25 C ATOM 1084 OD1 ASN A 73 4.264 -18.375 2.045 1.00 45.15 O ATOM 1085 ND2 ASN A 73 5.567 -17.187 0.681 1.00 41.34 N ATOM 0 H ASN A 73 4.026 -13.883 3.645 1.00 42.34 H new ATOM 0 HA ASN A 73 3.275 -14.974 1.186 1.00 24.51 H new ATOM 0 HB2 ASN A 73 5.434 -15.375 2.409 1.00 72.34 H new ATOM 0 HB3 ASN A 73 4.574 -16.316 3.611 1.00 72.34 H new ATOM 0 HD21 ASN A 73 5.788 -18.010 0.121 1.00 41.34 H new ATOM 0 HD22 ASN A 73 5.967 -16.281 0.436 1.00 41.34 H new ATOM 1092 N SER A 74 1.629 -16.138 3.765 1.00 31.23 N ATOM 1093 CA SER A 74 0.531 -16.976 4.201 1.00 65.25 C ATOM 1094 C SER A 74 -0.839 -16.415 3.785 1.00 5.24 C ATOM 1095 O SER A 74 -1.870 -17.056 3.998 1.00 54.43 O ATOM 1096 CB SER A 74 0.606 -17.136 5.709 1.00 43.15 C ATOM 1097 OG SER A 74 1.911 -17.552 6.090 1.00 63.22 O ATOM 0 H SER A 74 2.008 -15.535 4.495 1.00 31.23 H new ATOM 0 HA SER A 74 0.628 -17.946 3.713 1.00 65.25 H new ATOM 0 HB2 SER A 74 0.360 -16.192 6.196 1.00 43.15 H new ATOM 0 HB3 SER A 74 -0.130 -17.868 6.042 1.00 43.15 H new ATOM 0 HG SER A 74 1.951 -17.651 7.064 1.00 63.22 H new ATOM 1103 N GLY A 75 -0.847 -15.245 3.171 1.00 73.20 N ATOM 1104 CA GLY A 75 -2.094 -14.645 2.764 1.00 5.34 C ATOM 1105 C GLY A 75 -2.765 -13.939 3.913 1.00 13.03 C ATOM 1106 O GLY A 75 -3.993 -13.893 4.006 1.00 54.23 O ATOM 0 H GLY A 75 -0.013 -14.702 2.948 1.00 73.20 H new ATOM 0 HA2 GLY A 75 -1.912 -13.936 1.956 1.00 5.34 H new ATOM 0 HA3 GLY A 75 -2.758 -15.414 2.370 1.00 5.34 H new ATOM 1110 N GLN A 76 -1.962 -13.434 4.803 1.00 61.22 N ATOM 1111 CA GLN A 76 -2.438 -12.689 5.948 1.00 42.15 C ATOM 1112 C GLN A 76 -2.045 -11.234 5.766 1.00 11.43 C ATOM 1113 O GLN A 76 -1.008 -10.952 5.184 1.00 22.11 O ATOM 1114 CB GLN A 76 -1.774 -13.235 7.216 1.00 32.03 C ATOM 1115 CG GLN A 76 -2.182 -12.541 8.508 1.00 74.24 C ATOM 1116 CD GLN A 76 -1.278 -12.901 9.665 1.00 64.00 C ATOM 1117 OE1 GLN A 76 -0.086 -13.184 9.476 1.00 31.34 O ATOM 1118 NE2 GLN A 76 -1.805 -12.875 10.858 1.00 21.54 N ATOM 0 H GLN A 76 -0.947 -13.525 4.761 1.00 61.22 H new ATOM 0 HA GLN A 76 -3.520 -12.781 6.037 1.00 42.15 H new ATOM 0 HB2 GLN A 76 -2.008 -14.296 7.302 1.00 32.03 H new ATOM 0 HB3 GLN A 76 -0.693 -13.155 7.105 1.00 32.03 H new ATOM 0 HG2 GLN A 76 -2.164 -11.461 8.359 1.00 74.24 H new ATOM 0 HG3 GLN A 76 -3.209 -12.812 8.754 1.00 74.24 H new ATOM 0 HE21 GLN A 76 -2.790 -12.638 10.975 1.00 21.54 H new ATOM 0 HE22 GLN A 76 -1.232 -13.092 11.673 1.00 21.54 H new ATOM 1127 N VAL A 77 -2.867 -10.322 6.217 1.00 35.43 N ATOM 1128 CA VAL A 77 -2.508 -8.915 6.197 1.00 74.31 C ATOM 1129 C VAL A 77 -1.392 -8.694 7.208 1.00 74.12 C ATOM 1130 O VAL A 77 -1.463 -9.223 8.322 1.00 53.45 O ATOM 1131 CB VAL A 77 -3.733 -8.001 6.537 1.00 22.22 C ATOM 1132 CG1 VAL A 77 -3.308 -6.558 6.761 1.00 31.25 C ATOM 1133 CG2 VAL A 77 -4.735 -8.040 5.409 1.00 32.33 C ATOM 0 H VAL A 77 -3.790 -10.521 6.603 1.00 35.43 H new ATOM 0 HA VAL A 77 -2.176 -8.646 5.194 1.00 74.31 H new ATOM 0 HB VAL A 77 -4.180 -8.382 7.455 1.00 22.22 H new ATOM 0 HG11 VAL A 77 -4.184 -5.953 6.995 1.00 31.25 H new ATOM 0 HG12 VAL A 77 -2.603 -6.511 7.591 1.00 31.25 H new ATOM 0 HG13 VAL A 77 -2.832 -6.174 5.858 1.00 31.25 H new ATOM 0 HG21 VAL A 77 -5.584 -7.401 5.654 1.00 32.33 H new ATOM 0 HG22 VAL A 77 -4.265 -7.683 4.492 1.00 32.33 H new ATOM 0 HG23 VAL A 77 -5.081 -9.064 5.265 1.00 32.33 H new ATOM 1143 N VAL A 78 -0.354 -7.973 6.803 1.00 44.25 N ATOM 1144 CA VAL A 78 0.758 -7.657 7.687 1.00 71.45 C ATOM 1145 C VAL A 78 0.203 -6.935 8.924 1.00 4.40 C ATOM 1146 O VAL A 78 -0.547 -5.972 8.800 1.00 1.25 O ATOM 1147 CB VAL A 78 1.805 -6.749 6.967 1.00 2.51 C ATOM 1148 CG1 VAL A 78 3.009 -6.463 7.847 1.00 72.11 C ATOM 1149 CG2 VAL A 78 2.249 -7.359 5.645 1.00 41.05 C ATOM 0 H VAL A 78 -0.260 -7.594 5.861 1.00 44.25 H new ATOM 0 HA VAL A 78 1.261 -8.579 7.978 1.00 71.45 H new ATOM 0 HB VAL A 78 1.310 -5.800 6.761 1.00 2.51 H new ATOM 0 HG11 VAL A 78 3.712 -5.828 7.307 1.00 72.11 H new ATOM 0 HG12 VAL A 78 2.684 -5.954 8.754 1.00 72.11 H new ATOM 0 HG13 VAL A 78 3.497 -7.401 8.112 1.00 72.11 H new ATOM 0 HG21 VAL A 78 2.978 -6.703 5.168 1.00 41.05 H new ATOM 0 HG22 VAL A 78 2.702 -8.333 5.828 1.00 41.05 H new ATOM 0 HG23 VAL A 78 1.385 -7.478 4.991 1.00 41.05 H new ATOM 1159 N LYS A 79 0.537 -7.405 10.100 1.00 45.13 N ATOM 1160 CA LYS A 79 -0.018 -6.822 11.318 1.00 70.51 C ATOM 1161 C LYS A 79 0.504 -5.410 11.571 1.00 13.45 C ATOM 1162 O LYS A 79 -0.168 -4.590 12.186 1.00 12.32 O ATOM 1163 CB LYS A 79 0.152 -7.736 12.528 1.00 70.11 C ATOM 1164 CG LYS A 79 1.574 -8.016 12.873 1.00 3.53 C ATOM 1165 CD LYS A 79 1.699 -9.078 13.962 1.00 52.31 C ATOM 1166 CE LYS A 79 1.103 -8.639 15.296 1.00 41.11 C ATOM 1167 NZ LYS A 79 1.796 -7.463 15.880 1.00 11.11 N ATOM 0 H LYS A 79 1.182 -8.181 10.250 1.00 45.13 H new ATOM 0 HA LYS A 79 -1.092 -6.728 11.158 1.00 70.51 H new ATOM 0 HB2 LYS A 79 -0.338 -7.280 13.388 1.00 70.11 H new ATOM 0 HB3 LYS A 79 -0.358 -8.680 12.334 1.00 70.11 H new ATOM 0 HG2 LYS A 79 2.105 -8.347 11.981 1.00 3.53 H new ATOM 0 HG3 LYS A 79 2.054 -7.096 13.207 1.00 3.53 H new ATOM 0 HD2 LYS A 79 1.202 -9.990 13.631 1.00 52.31 H new ATOM 0 HD3 LYS A 79 2.752 -9.322 14.104 1.00 52.31 H new ATOM 0 HE2 LYS A 79 0.049 -8.400 15.156 1.00 41.11 H new ATOM 0 HE3 LYS A 79 1.151 -9.469 16.000 1.00 41.11 H new ATOM 0 HZ1 LYS A 79 1.428 -7.283 16.836 1.00 11.11 H new ATOM 0 HZ2 LYS A 79 2.817 -7.652 15.932 1.00 11.11 H new ATOM 0 HZ3 LYS A 79 1.628 -6.629 15.282 1.00 11.11 H new ATOM 1181 N SER A 80 1.671 -5.116 11.051 1.00 60.24 N ATOM 1182 CA SER A 80 2.234 -3.791 11.169 1.00 13.22 C ATOM 1183 C SER A 80 1.817 -2.895 9.988 1.00 14.44 C ATOM 1184 O SER A 80 2.272 -1.750 9.879 1.00 32.21 O ATOM 1185 CB SER A 80 3.750 -3.883 11.280 1.00 43.05 C ATOM 1186 OG SER A 80 4.117 -4.632 12.430 1.00 14.21 O ATOM 0 H SER A 80 2.253 -5.780 10.539 1.00 60.24 H new ATOM 0 HA SER A 80 1.843 -3.329 12.075 1.00 13.22 H new ATOM 0 HB2 SER A 80 4.159 -4.354 10.386 1.00 43.05 H new ATOM 0 HB3 SER A 80 4.178 -2.882 11.338 1.00 43.05 H new ATOM 0 HG SER A 80 5.094 -4.685 12.488 1.00 14.21 H new ATOM 1192 N LEU A 81 0.914 -3.404 9.140 1.00 10.12 N ATOM 1193 CA LEU A 81 0.447 -2.668 7.966 1.00 45.32 C ATOM 1194 C LEU A 81 -0.249 -1.350 8.378 1.00 60.33 C ATOM 1195 O LEU A 81 0.159 -0.284 7.915 1.00 42.20 O ATOM 1196 CB LEU A 81 -0.503 -3.512 7.107 1.00 71.41 C ATOM 1197 CG LEU A 81 -0.714 -3.045 5.685 1.00 3.22 C ATOM 1198 CD1 LEU A 81 0.518 -3.347 4.859 1.00 64.03 C ATOM 1199 CD2 LEU A 81 -1.912 -3.725 5.098 1.00 52.24 C ATOM 0 H LEU A 81 0.493 -4.327 9.249 1.00 10.12 H new ATOM 0 HA LEU A 81 1.327 -2.432 7.368 1.00 45.32 H new ATOM 0 HB2 LEU A 81 -0.123 -4.533 7.079 1.00 71.41 H new ATOM 0 HB3 LEU A 81 -1.473 -3.547 7.603 1.00 71.41 H new ATOM 0 HG LEU A 81 -0.886 -1.969 5.682 1.00 3.22 H new ATOM 0 HD11 LEU A 81 0.361 -3.009 3.835 1.00 64.03 H new ATOM 0 HD12 LEU A 81 1.377 -2.829 5.285 1.00 64.03 H new ATOM 0 HD13 LEU A 81 0.704 -4.421 4.862 1.00 64.03 H new ATOM 0 HD21 LEU A 81 -2.058 -3.384 4.073 1.00 52.24 H new ATOM 0 HD22 LEU A 81 -1.757 -4.804 5.103 1.00 52.24 H new ATOM 0 HD23 LEU A 81 -2.794 -3.483 5.690 1.00 52.24 H new ATOM 1211 N PRO A 82 -1.283 -1.371 9.303 1.00 42.02 N ATOM 1212 CA PRO A 82 -1.968 -0.141 9.709 1.00 53.45 C ATOM 1213 C PRO A 82 -1.011 0.810 10.404 1.00 21.25 C ATOM 1214 O PRO A 82 -1.144 2.015 10.295 1.00 51.30 O ATOM 1215 CB PRO A 82 -3.049 -0.612 10.691 1.00 2.02 C ATOM 1216 CG PRO A 82 -3.197 -2.067 10.429 1.00 30.23 C ATOM 1217 CD PRO A 82 -1.846 -2.542 10.028 1.00 74.14 C ATOM 0 HA PRO A 82 -2.377 0.399 8.855 1.00 53.45 H new ATOM 0 HB2 PRO A 82 -2.753 -0.425 11.723 1.00 2.02 H new ATOM 0 HB3 PRO A 82 -3.988 -0.084 10.528 1.00 2.02 H new ATOM 0 HG2 PRO A 82 -3.549 -2.591 11.318 1.00 30.23 H new ATOM 0 HG3 PRO A 82 -3.927 -2.251 9.641 1.00 30.23 H new ATOM 0 HD2 PRO A 82 -1.239 -2.811 10.893 1.00 74.14 H new ATOM 0 HD3 PRO A 82 -1.901 -3.424 9.390 1.00 74.14 H new ATOM 1225 N GLY A 83 -0.012 0.240 11.066 1.00 21.34 N ATOM 1226 CA GLY A 83 0.958 1.023 11.792 1.00 24.22 C ATOM 1227 C GLY A 83 1.790 1.884 10.872 1.00 41.12 C ATOM 1228 O GLY A 83 1.972 3.077 11.133 1.00 1.23 O ATOM 0 H GLY A 83 0.141 -0.767 11.110 1.00 21.34 H new ATOM 0 HA2 GLY A 83 0.445 1.656 12.516 1.00 24.22 H new ATOM 0 HA3 GLY A 83 1.612 0.358 12.357 1.00 24.22 H new ATOM 1232 N LEU A 84 2.257 1.300 9.772 1.00 70.12 N ATOM 1233 CA LEU A 84 3.065 2.041 8.814 1.00 3.44 C ATOM 1234 C LEU A 84 2.206 3.090 8.131 1.00 71.21 C ATOM 1235 O LEU A 84 2.631 4.216 7.914 1.00 51.25 O ATOM 1236 CB LEU A 84 3.770 1.100 7.794 1.00 23.13 C ATOM 1237 CG LEU A 84 2.910 0.417 6.710 1.00 42.21 C ATOM 1238 CD1 LEU A 84 2.825 1.266 5.437 1.00 2.21 C ATOM 1239 CD2 LEU A 84 3.431 -0.972 6.405 1.00 41.43 C ATOM 0 H LEU A 84 2.091 0.324 9.525 1.00 70.12 H new ATOM 0 HA LEU A 84 3.867 2.548 9.351 1.00 3.44 H new ATOM 0 HB2 LEU A 84 4.544 1.678 7.289 1.00 23.13 H new ATOM 0 HB3 LEU A 84 4.275 0.317 8.359 1.00 23.13 H new ATOM 0 HG LEU A 84 1.898 0.322 7.104 1.00 42.21 H new ATOM 0 HD11 LEU A 84 2.211 0.752 4.697 1.00 2.21 H new ATOM 0 HD12 LEU A 84 2.377 2.231 5.673 1.00 2.21 H new ATOM 0 HD13 LEU A 84 3.826 1.419 5.034 1.00 2.21 H new ATOM 0 HD21 LEU A 84 2.809 -1.434 5.638 1.00 41.43 H new ATOM 0 HD22 LEU A 84 4.458 -0.905 6.047 1.00 41.43 H new ATOM 0 HD23 LEU A 84 3.401 -1.579 7.310 1.00 41.43 H new ATOM 1251 N LEU A 85 0.983 2.710 7.817 1.00 4.01 N ATOM 1252 CA LEU A 85 0.050 3.603 7.172 1.00 52.35 C ATOM 1253 C LEU A 85 -0.269 4.781 8.077 1.00 43.51 C ATOM 1254 O LEU A 85 -0.195 5.928 7.654 1.00 52.13 O ATOM 1255 CB LEU A 85 -1.232 2.853 6.787 1.00 24.14 C ATOM 1256 CG LEU A 85 -1.068 1.703 5.787 1.00 21.20 C ATOM 1257 CD1 LEU A 85 -2.375 0.952 5.614 1.00 13.30 C ATOM 1258 CD2 LEU A 85 -0.581 2.225 4.446 1.00 12.45 C ATOM 0 H LEU A 85 0.613 1.778 8.002 1.00 4.01 H new ATOM 0 HA LEU A 85 0.510 3.985 6.261 1.00 52.35 H new ATOM 0 HB2 LEU A 85 -1.682 2.455 7.696 1.00 24.14 H new ATOM 0 HB3 LEU A 85 -1.938 3.572 6.370 1.00 24.14 H new ATOM 0 HG LEU A 85 -0.322 1.014 6.183 1.00 21.20 H new ATOM 0 HD11 LEU A 85 -2.236 0.140 4.900 1.00 13.30 H new ATOM 0 HD12 LEU A 85 -2.689 0.542 6.574 1.00 13.30 H new ATOM 0 HD13 LEU A 85 -3.140 1.634 5.244 1.00 13.30 H new ATOM 0 HD21 LEU A 85 -0.471 1.393 3.750 1.00 12.45 H new ATOM 0 HD22 LEU A 85 -1.304 2.937 4.049 1.00 12.45 H new ATOM 0 HD23 LEU A 85 0.382 2.719 4.576 1.00 12.45 H new ATOM 1270 N THR A 86 -0.537 4.491 9.335 1.00 72.22 N ATOM 1271 CA THR A 86 -0.930 5.514 10.289 1.00 41.52 C ATOM 1272 C THR A 86 0.166 6.573 10.512 1.00 34.21 C ATOM 1273 O THR A 86 -0.137 7.767 10.499 1.00 64.40 O ATOM 1274 CB THR A 86 -1.413 4.910 11.641 1.00 54.12 C ATOM 1275 OG1 THR A 86 -2.529 4.040 11.394 1.00 4.40 O ATOM 1276 CG2 THR A 86 -1.863 5.999 12.610 1.00 43.32 C ATOM 0 H THR A 86 -0.490 3.549 9.724 1.00 72.22 H new ATOM 0 HA THR A 86 -1.780 6.026 9.838 1.00 41.52 H new ATOM 0 HB THR A 86 -0.579 4.367 12.084 1.00 54.12 H new ATOM 0 HG1 THR A 86 -2.244 3.296 10.823 1.00 4.40 H new ATOM 0 HG21 THR A 86 -2.194 5.542 13.543 1.00 43.32 H new ATOM 0 HG22 THR A 86 -1.031 6.674 12.811 1.00 43.32 H new ATOM 0 HG23 THR A 86 -2.687 6.561 12.169 1.00 43.32 H new ATOM 1284 N ILE A 87 1.430 6.153 10.657 1.00 43.23 N ATOM 1285 CA ILE A 87 2.520 7.105 10.903 1.00 71.13 C ATOM 1286 C ILE A 87 2.681 8.102 9.727 1.00 22.11 C ATOM 1287 O ILE A 87 2.731 9.318 9.938 1.00 22.02 O ATOM 1288 CB ILE A 87 3.880 6.383 11.347 1.00 34.51 C ATOM 1289 CG1 ILE A 87 5.046 7.367 11.677 1.00 41.50 C ATOM 1290 CG2 ILE A 87 4.337 5.325 10.355 1.00 3.34 C ATOM 1291 CD1 ILE A 87 5.781 7.969 10.479 1.00 70.30 C ATOM 0 H ILE A 87 1.720 5.176 10.609 1.00 43.23 H new ATOM 0 HA ILE A 87 2.241 7.711 11.765 1.00 71.13 H new ATOM 0 HB ILE A 87 3.622 5.882 12.280 1.00 34.51 H new ATOM 0 HG12 ILE A 87 4.646 8.183 12.279 1.00 41.50 H new ATOM 0 HG13 ILE A 87 5.773 6.841 12.296 1.00 41.50 H new ATOM 0 HG21 ILE A 87 5.262 4.870 10.708 1.00 3.34 H new ATOM 0 HG22 ILE A 87 3.568 4.558 10.261 1.00 3.34 H new ATOM 0 HG23 ILE A 87 4.508 5.787 9.383 1.00 3.34 H new ATOM 0 HD11 ILE A 87 6.568 8.635 10.832 1.00 70.30 H new ATOM 0 HD12 ILE A 87 6.222 7.170 9.884 1.00 70.30 H new ATOM 0 HD13 ILE A 87 5.077 8.532 9.866 1.00 70.30 H new ATOM 1303 N LEU A 88 2.705 7.596 8.507 1.00 41.43 N ATOM 1304 CA LEU A 88 2.819 8.460 7.324 1.00 74.02 C ATOM 1305 C LEU A 88 1.591 9.315 7.126 1.00 50.23 C ATOM 1306 O LEU A 88 1.689 10.501 6.801 1.00 74.43 O ATOM 1307 CB LEU A 88 3.039 7.671 6.054 1.00 45.22 C ATOM 1308 CG LEU A 88 4.421 7.125 5.737 1.00 11.40 C ATOM 1309 CD1 LEU A 88 5.455 8.239 5.672 1.00 51.54 C ATOM 1310 CD2 LEU A 88 4.829 6.052 6.703 1.00 41.10 C ATOM 0 H LEU A 88 2.648 6.599 8.300 1.00 41.43 H new ATOM 0 HA LEU A 88 3.686 9.092 7.517 1.00 74.02 H new ATOM 0 HB2 LEU A 88 2.351 6.826 6.073 1.00 45.22 H new ATOM 0 HB3 LEU A 88 2.741 8.306 5.220 1.00 45.22 H new ATOM 0 HG LEU A 88 4.370 6.666 4.750 1.00 11.40 H new ATOM 0 HD11 LEU A 88 6.433 7.815 5.443 1.00 51.54 H new ATOM 0 HD12 LEU A 88 5.176 8.949 4.893 1.00 51.54 H new ATOM 0 HD13 LEU A 88 5.498 8.752 6.633 1.00 51.54 H new ATOM 0 HD21 LEU A 88 5.823 5.687 6.443 1.00 41.10 H new ATOM 0 HD22 LEU A 88 4.845 6.459 7.714 1.00 41.10 H new ATOM 0 HD23 LEU A 88 4.116 5.229 6.655 1.00 41.10 H new ATOM 1322 N HIS A 89 0.441 8.711 7.306 1.00 1.51 N ATOM 1323 CA HIS A 89 -0.826 9.378 7.096 1.00 43.31 C ATOM 1324 C HIS A 89 -0.969 10.516 8.110 1.00 23.10 C ATOM 1325 O HIS A 89 -1.457 11.585 7.787 1.00 24.21 O ATOM 1326 CB HIS A 89 -1.968 8.356 7.206 1.00 32.14 C ATOM 1327 CG HIS A 89 -3.299 8.818 6.703 1.00 21.42 C ATOM 1328 ND1 HIS A 89 -4.494 8.477 7.286 1.00 31.23 N ATOM 1329 CD2 HIS A 89 -3.612 9.539 5.599 1.00 52.23 C ATOM 1330 CE1 HIS A 89 -5.474 8.982 6.538 1.00 4.30 C ATOM 1331 NE2 HIS A 89 -4.991 9.641 5.497 1.00 24.31 N ATOM 0 H HIS A 89 0.355 7.739 7.603 1.00 1.51 H new ATOM 0 HA HIS A 89 -0.870 9.813 6.097 1.00 43.31 H new ATOM 0 HB2 HIS A 89 -1.683 7.459 6.656 1.00 32.14 H new ATOM 0 HB3 HIS A 89 -2.075 8.068 8.252 1.00 32.14 H new ATOM 0 HD2 HIS A 89 -2.900 9.966 4.908 1.00 52.23 H new ATOM 0 HE1 HIS A 89 -6.526 8.868 6.753 1.00 4.30 H new ATOM 0 HE2 HIS A 89 -5.522 10.123 4.772 1.00 24.31 H new ATOM 1339 N ASP A 90 -0.458 10.291 9.302 1.00 10.45 N ATOM 1340 CA ASP A 90 -0.441 11.303 10.361 1.00 52.14 C ATOM 1341 C ASP A 90 0.563 12.413 10.030 1.00 33.44 C ATOM 1342 O ASP A 90 0.373 13.573 10.381 1.00 52.13 O ATOM 1343 CB ASP A 90 -0.098 10.649 11.705 1.00 42.50 C ATOM 1344 CG ASP A 90 0.070 11.636 12.827 1.00 13.03 C ATOM 1345 OD1 ASP A 90 -0.935 12.238 13.269 1.00 43.05 O ATOM 1346 OD2 ASP A 90 1.214 11.825 13.294 1.00 42.35 O ATOM 0 H ASP A 90 -0.039 9.402 9.574 1.00 10.45 H new ATOM 0 HA ASP A 90 -1.432 11.752 10.432 1.00 52.14 H new ATOM 0 HB2 ASP A 90 -0.886 9.943 11.968 1.00 42.50 H new ATOM 0 HB3 ASP A 90 0.822 10.075 11.596 1.00 42.50 H new ATOM 1351 N GLY A 91 1.610 12.049 9.313 1.00 50.01 N ATOM 1352 CA GLY A 91 2.625 13.007 8.908 1.00 34.11 C ATOM 1353 C GLY A 91 2.207 13.828 7.690 1.00 33.23 C ATOM 1354 O GLY A 91 2.883 14.792 7.318 1.00 1.10 O ATOM 0 H GLY A 91 1.781 11.094 8.998 1.00 50.01 H new ATOM 0 HA2 GLY A 91 2.836 13.680 9.739 1.00 34.11 H new ATOM 0 HA3 GLY A 91 3.551 12.477 8.684 1.00 34.11 H new ATOM 1358 N GLY A 92 1.110 13.448 7.068 1.00 34.14 N ATOM 1359 CA GLY A 92 0.610 14.189 5.925 1.00 73.11 C ATOM 1360 C GLY A 92 1.059 13.606 4.598 1.00 71.42 C ATOM 1361 O GLY A 92 1.438 14.342 3.677 1.00 54.11 O ATOM 0 H GLY A 92 0.550 12.637 7.331 1.00 34.14 H new ATOM 0 HA2 GLY A 92 -0.479 14.206 5.958 1.00 73.11 H new ATOM 0 HA3 GLY A 92 0.947 15.223 5.994 1.00 73.11 H new ATOM 1365 N TYR A 93 1.068 12.303 4.509 1.00 33.42 N ATOM 1366 CA TYR A 93 1.412 11.622 3.278 1.00 1.44 C ATOM 1367 C TYR A 93 0.243 10.783 2.831 1.00 33.13 C ATOM 1368 O TYR A 93 -0.430 10.163 3.665 1.00 40.14 O ATOM 1369 CB TYR A 93 2.677 10.766 3.450 1.00 62.31 C ATOM 1370 CG TYR A 93 3.944 11.583 3.608 1.00 60.25 C ATOM 1371 CD1 TYR A 93 4.285 12.166 4.825 1.00 65.45 C ATOM 1372 CD2 TYR A 93 4.788 11.782 2.531 1.00 15.43 C ATOM 1373 CE1 TYR A 93 5.429 12.923 4.951 1.00 31.45 C ATOM 1374 CE2 TYR A 93 5.934 12.532 2.651 1.00 20.50 C ATOM 1375 CZ TYR A 93 6.250 13.101 3.860 1.00 3.31 C ATOM 1376 OH TYR A 93 7.395 13.864 3.976 1.00 0.31 O ATOM 0 H TYR A 93 0.838 11.680 5.283 1.00 33.42 H new ATOM 0 HA TYR A 93 1.632 12.364 2.511 1.00 1.44 H new ATOM 0 HB2 TYR A 93 2.556 10.125 4.323 1.00 62.31 H new ATOM 0 HB3 TYR A 93 2.783 10.110 2.586 1.00 62.31 H new ATOM 0 HD1 TYR A 93 3.644 12.023 5.682 1.00 65.45 H new ATOM 0 HD2 TYR A 93 4.542 11.340 1.577 1.00 15.43 H new ATOM 0 HE1 TYR A 93 5.680 13.374 5.900 1.00 31.45 H new ATOM 0 HE2 TYR A 93 6.582 12.673 1.799 1.00 20.50 H new ATOM 0 HH TYR A 93 7.976 13.479 4.664 1.00 0.31 H new ATOM 1386 N ARG A 94 -0.049 10.817 1.554 1.00 11.34 N ATOM 1387 CA ARG A 94 -1.171 10.061 1.000 1.00 52.43 C ATOM 1388 C ARG A 94 -0.756 8.631 0.693 1.00 55.31 C ATOM 1389 O ARG A 94 0.429 8.308 0.696 1.00 52.13 O ATOM 1390 CB ARG A 94 -1.745 10.735 -0.265 1.00 42.05 C ATOM 1391 CG ARG A 94 -0.751 10.854 -1.394 1.00 63.05 C ATOM 1392 CD ARG A 94 -1.309 11.573 -2.610 1.00 75.21 C ATOM 1393 NE ARG A 94 -1.936 12.883 -2.315 1.00 63.12 N ATOM 1394 CZ ARG A 94 -1.284 14.043 -2.075 1.00 43.10 C ATOM 1395 NH1 ARG A 94 -0.052 14.050 -1.546 1.00 52.35 N ATOM 1396 NH2 ARG A 94 -1.925 15.196 -2.239 1.00 52.15 N ATOM 0 H ARG A 94 0.472 11.361 0.866 1.00 11.34 H new ATOM 0 HA ARG A 94 -1.957 10.046 1.755 1.00 52.43 H new ATOM 0 HB2 ARG A 94 -2.607 10.164 -0.610 1.00 42.05 H new ATOM 0 HB3 ARG A 94 -2.105 11.730 -0.004 1.00 42.05 H new ATOM 0 HG2 ARG A 94 0.131 11.387 -1.038 1.00 63.05 H new ATOM 0 HG3 ARG A 94 -0.424 9.857 -1.688 1.00 63.05 H new ATOM 0 HD2 ARG A 94 -0.503 11.724 -3.329 1.00 75.21 H new ATOM 0 HD3 ARG A 94 -2.048 10.930 -3.089 1.00 75.21 H new ATOM 0 HE ARG A 94 -2.955 12.912 -2.291 1.00 63.12 H new ATOM 0 HH11 ARG A 94 0.410 13.170 -1.317 1.00 52.35 H new ATOM 0 HH12 ARG A 94 0.423 14.936 -1.372 1.00 52.35 H new ATOM 0 HH21 ARG A 94 -2.899 15.199 -2.543 1.00 52.15 H new ATOM 0 HH22 ARG A 94 -1.443 16.077 -2.061 1.00 52.15 H new ATOM 1410 N ASP A 95 -1.735 7.816 0.363 1.00 61.40 N ATOM 1411 CA ASP A 95 -1.567 6.370 0.076 1.00 44.12 C ATOM 1412 C ASP A 95 -0.495 6.090 -0.996 1.00 51.32 C ATOM 1413 O ASP A 95 0.398 5.227 -0.807 1.00 43.13 O ATOM 1414 CB ASP A 95 -2.928 5.779 -0.377 1.00 22.53 C ATOM 1415 CG ASP A 95 -3.684 6.667 -1.377 1.00 21.14 C ATOM 1416 OD1 ASP A 95 -3.147 6.989 -2.466 1.00 11.43 O ATOM 1417 OD2 ASP A 95 -4.808 7.133 -1.041 1.00 62.43 O ATOM 0 H ASP A 95 -2.702 8.129 0.279 1.00 61.40 H new ATOM 0 HA ASP A 95 -1.225 5.893 0.995 1.00 44.12 H new ATOM 0 HB2 ASP A 95 -2.758 4.802 -0.829 1.00 22.53 H new ATOM 0 HB3 ASP A 95 -3.555 5.620 0.500 1.00 22.53 H new ATOM 1422 N THR A 96 -0.544 6.851 -2.056 1.00 5.13 N ATOM 1423 CA THR A 96 0.370 6.725 -3.152 1.00 73.51 C ATOM 1424 C THR A 96 1.802 7.001 -2.674 1.00 31.22 C ATOM 1425 O THR A 96 2.738 6.305 -3.045 1.00 24.32 O ATOM 1426 CB THR A 96 -0.028 7.675 -4.295 1.00 43.51 C ATOM 1427 OG1 THR A 96 -1.437 7.481 -4.609 1.00 4.15 O ATOM 1428 CG2 THR A 96 0.807 7.397 -5.538 1.00 52.11 C ATOM 0 H THR A 96 -1.236 7.590 -2.181 1.00 5.13 H new ATOM 0 HA THR A 96 0.328 5.706 -3.536 1.00 73.51 H new ATOM 0 HB THR A 96 0.149 8.702 -3.977 1.00 43.51 H new ATOM 0 HG1 THR A 96 -1.937 7.315 -3.782 1.00 4.15 H new ATOM 0 HG21 THR A 96 0.511 8.079 -6.335 1.00 52.11 H new ATOM 0 HG22 THR A 96 1.862 7.544 -5.308 1.00 52.11 H new ATOM 0 HG23 THR A 96 0.646 6.369 -5.862 1.00 52.11 H new ATOM 1436 N GLU A 97 1.944 7.999 -1.821 1.00 2.00 N ATOM 1437 CA GLU A 97 3.227 8.372 -1.277 1.00 20.52 C ATOM 1438 C GLU A 97 3.798 7.287 -0.389 1.00 31.13 C ATOM 1439 O GLU A 97 5.007 7.093 -0.372 1.00 43.13 O ATOM 1440 CB GLU A 97 3.142 9.667 -0.507 1.00 13.24 C ATOM 1441 CG GLU A 97 2.772 10.847 -1.357 1.00 33.43 C ATOM 1442 CD GLU A 97 2.634 12.090 -0.555 1.00 62.12 C ATOM 1443 OE1 GLU A 97 1.537 12.367 -0.067 1.00 24.13 O ATOM 1444 OE2 GLU A 97 3.624 12.809 -0.401 1.00 24.50 O ATOM 0 H GLU A 97 1.168 8.572 -1.488 1.00 2.00 H new ATOM 0 HA GLU A 97 3.897 8.510 -2.125 1.00 20.52 H new ATOM 0 HB2 GLU A 97 2.406 9.559 0.290 1.00 13.24 H new ATOM 0 HB3 GLU A 97 4.103 9.860 -0.030 1.00 13.24 H new ATOM 0 HG2 GLU A 97 3.532 10.993 -2.124 1.00 33.43 H new ATOM 0 HG3 GLU A 97 1.834 10.642 -1.873 1.00 33.43 H new ATOM 1451 N ILE A 98 2.931 6.558 0.327 1.00 41.14 N ATOM 1452 CA ILE A 98 3.419 5.527 1.250 1.00 50.12 C ATOM 1453 C ILE A 98 4.151 4.479 0.446 1.00 14.11 C ATOM 1454 O ILE A 98 5.299 4.139 0.724 1.00 62.40 O ATOM 1455 CB ILE A 98 2.281 4.753 1.988 1.00 22.20 C ATOM 1456 CG1 ILE A 98 1.124 5.647 2.443 1.00 64.14 C ATOM 1457 CG2 ILE A 98 2.854 3.998 3.176 1.00 53.21 C ATOM 1458 CD1 ILE A 98 1.505 6.797 3.317 1.00 25.42 C ATOM 0 H ILE A 98 1.917 6.658 0.288 1.00 41.14 H new ATOM 0 HA ILE A 98 4.034 6.046 1.985 1.00 50.12 H new ATOM 0 HB ILE A 98 1.862 4.056 1.263 1.00 22.20 H new ATOM 0 HG12 ILE A 98 0.620 6.037 1.559 1.00 64.14 H new ATOM 0 HG13 ILE A 98 0.400 5.031 2.977 1.00 64.14 H new ATOM 0 HG21 ILE A 98 2.054 3.461 3.686 1.00 53.21 H new ATOM 0 HG22 ILE A 98 3.604 3.288 2.828 1.00 53.21 H new ATOM 0 HG23 ILE A 98 3.315 4.703 3.867 1.00 53.21 H new ATOM 0 HD11 ILE A 98 0.613 7.364 3.581 1.00 25.42 H new ATOM 0 HD12 ILE A 98 1.979 6.423 4.224 1.00 25.42 H new ATOM 0 HD13 ILE A 98 2.202 7.444 2.784 1.00 25.42 H new ATOM 1470 N MET A 99 3.501 4.024 -0.612 1.00 51.14 N ATOM 1471 CA MET A 99 4.072 3.024 -1.454 1.00 21.32 C ATOM 1472 C MET A 99 5.174 3.581 -2.371 1.00 53.44 C ATOM 1473 O MET A 99 5.983 2.828 -2.892 1.00 32.30 O ATOM 1474 CB MET A 99 2.982 2.303 -2.228 1.00 21.05 C ATOM 1475 CG MET A 99 2.183 3.174 -3.174 1.00 5.11 C ATOM 1476 SD MET A 99 0.793 2.301 -3.903 1.00 44.13 S ATOM 1477 CE MET A 99 1.595 0.802 -4.411 1.00 54.12 C ATOM 0 H MET A 99 2.575 4.342 -0.897 1.00 51.14 H new ATOM 0 HA MET A 99 4.570 2.295 -0.815 1.00 21.32 H new ATOM 0 HB2 MET A 99 3.438 1.495 -2.800 1.00 21.05 H new ATOM 0 HB3 MET A 99 2.297 1.842 -1.517 1.00 21.05 H new ATOM 0 HG2 MET A 99 1.817 4.049 -2.636 1.00 5.11 H new ATOM 0 HG3 MET A 99 2.836 3.538 -3.967 1.00 5.11 H new ATOM 0 HE1 MET A 99 1.022 0.337 -5.213 1.00 54.12 H new ATOM 0 HE2 MET A 99 2.600 1.030 -4.768 1.00 54.12 H new ATOM 0 HE3 MET A 99 1.657 0.118 -3.565 1.00 54.12 H new ATOM 1487 N ARG A 100 5.219 4.901 -2.515 1.00 43.24 N ATOM 1488 CA ARG A 100 6.172 5.583 -3.393 1.00 32.32 C ATOM 1489 C ARG A 100 7.610 5.244 -2.985 1.00 4.14 C ATOM 1490 O ARG A 100 8.344 4.580 -3.728 1.00 3.42 O ATOM 1491 CB ARG A 100 5.918 7.090 -3.311 1.00 54.23 C ATOM 1492 CG ARG A 100 6.690 7.958 -4.269 1.00 71.23 C ATOM 1493 CD ARG A 100 6.349 9.414 -4.026 1.00 14.42 C ATOM 1494 NE ARG A 100 6.962 10.320 -5.003 1.00 41.35 N ATOM 1495 CZ ARG A 100 7.131 11.632 -4.810 1.00 32.00 C ATOM 1496 NH1 ARG A 100 6.817 12.180 -3.644 1.00 40.13 N ATOM 1497 NH2 ARG A 100 7.634 12.394 -5.774 1.00 33.31 N ATOM 0 H ARG A 100 4.591 5.536 -2.023 1.00 43.24 H new ATOM 0 HA ARG A 100 6.036 5.250 -4.422 1.00 32.32 H new ATOM 0 HB2 ARG A 100 4.855 7.265 -3.474 1.00 54.23 H new ATOM 0 HB3 ARG A 100 6.143 7.419 -2.296 1.00 54.23 H new ATOM 0 HG2 ARG A 100 7.760 7.798 -4.138 1.00 71.23 H new ATOM 0 HG3 ARG A 100 6.450 7.685 -5.297 1.00 71.23 H new ATOM 0 HD2 ARG A 100 5.266 9.537 -4.055 1.00 14.42 H new ATOM 0 HD3 ARG A 100 6.675 9.695 -3.025 1.00 14.42 H new ATOM 0 HE ARG A 100 7.280 9.923 -5.887 1.00 41.35 H new ATOM 0 HH11 ARG A 100 6.445 11.600 -2.892 1.00 40.13 H new ATOM 0 HH12 ARG A 100 6.947 13.181 -3.500 1.00 40.13 H new ATOM 0 HH21 ARG A 100 7.894 11.979 -6.669 1.00 33.31 H new ATOM 0 HH22 ARG A 100 7.760 13.394 -5.620 1.00 33.31 H new ATOM 1511 N TRP A 101 7.989 5.657 -1.792 1.00 32.53 N ATOM 1512 CA TRP A 101 9.316 5.365 -1.271 1.00 24.32 C ATOM 1513 C TRP A 101 9.500 3.879 -0.963 1.00 71.34 C ATOM 1514 O TRP A 101 10.597 3.345 -1.085 1.00 32.40 O ATOM 1515 CB TRP A 101 9.707 6.278 -0.092 1.00 51.30 C ATOM 1516 CG TRP A 101 8.663 6.413 0.968 1.00 4.13 C ATOM 1517 CD1 TRP A 101 7.780 7.440 1.105 1.00 20.13 C ATOM 1518 CD2 TRP A 101 8.388 5.502 2.040 1.00 51.34 C ATOM 1519 NE1 TRP A 101 6.969 7.221 2.178 1.00 22.44 N ATOM 1520 CE2 TRP A 101 7.325 6.036 2.769 1.00 65.03 C ATOM 1521 CE3 TRP A 101 8.931 4.283 2.447 1.00 45.25 C ATOM 1522 CZ2 TRP A 101 6.804 5.401 3.874 1.00 11.51 C ATOM 1523 CZ3 TRP A 101 8.407 3.657 3.545 1.00 72.13 C ATOM 1524 CH2 TRP A 101 7.351 4.214 4.247 1.00 54.02 C ATOM 0 H TRP A 101 7.397 6.198 -1.161 1.00 32.53 H new ATOM 0 HA TRP A 101 10.021 5.600 -2.068 1.00 24.32 H new ATOM 0 HB2 TRP A 101 10.619 5.890 0.363 1.00 51.30 H new ATOM 0 HB3 TRP A 101 9.941 7.269 -0.480 1.00 51.30 H new ATOM 0 HD1 TRP A 101 7.730 8.303 0.457 1.00 20.13 H new ATOM 0 HE1 TRP A 101 6.219 7.838 2.491 1.00 22.44 H new ATOM 0 HE3 TRP A 101 9.753 3.840 1.904 1.00 45.25 H new ATOM 0 HZ2 TRP A 101 5.984 5.834 4.428 1.00 11.51 H new ATOM 0 HZ3 TRP A 101 8.823 2.715 3.869 1.00 72.13 H new ATOM 0 HH2 TRP A 101 6.955 3.695 5.107 1.00 54.02 H new ATOM 1535 N LEU A 102 8.415 3.220 -0.571 1.00 24.21 N ATOM 1536 CA LEU A 102 8.425 1.789 -0.258 1.00 70.42 C ATOM 1537 C LEU A 102 8.903 0.929 -1.420 1.00 31.43 C ATOM 1538 O LEU A 102 9.631 -0.043 -1.214 1.00 43.43 O ATOM 1539 CB LEU A 102 7.046 1.332 0.206 1.00 12.23 C ATOM 1540 CG LEU A 102 6.764 1.383 1.698 1.00 61.43 C ATOM 1541 CD1 LEU A 102 5.316 1.066 1.971 1.00 44.41 C ATOM 1542 CD2 LEU A 102 7.647 0.401 2.432 1.00 50.53 C ATOM 0 H LEU A 102 7.501 3.660 -0.460 1.00 24.21 H new ATOM 0 HA LEU A 102 9.143 1.654 0.551 1.00 70.42 H new ATOM 0 HB2 LEU A 102 6.299 1.944 -0.300 1.00 12.23 H new ATOM 0 HB3 LEU A 102 6.899 0.306 -0.131 1.00 12.23 H new ATOM 0 HG LEU A 102 6.979 2.391 2.053 1.00 61.43 H new ATOM 0 HD11 LEU A 102 5.131 1.107 3.044 1.00 44.41 H new ATOM 0 HD12 LEU A 102 4.682 1.795 1.465 1.00 44.41 H new ATOM 0 HD13 LEU A 102 5.086 0.067 1.601 1.00 44.41 H new ATOM 0 HD21 LEU A 102 7.434 0.448 3.500 1.00 50.53 H new ATOM 0 HD22 LEU A 102 7.451 -0.607 2.067 1.00 50.53 H new ATOM 0 HD23 LEU A 102 8.693 0.653 2.259 1.00 50.53 H new ATOM 1554 N PHE A 103 8.502 1.275 -2.625 1.00 32.44 N ATOM 1555 CA PHE A 103 8.913 0.519 -3.800 1.00 25.14 C ATOM 1556 C PHE A 103 10.246 0.993 -4.351 1.00 55.52 C ATOM 1557 O PHE A 103 10.783 0.403 -5.290 1.00 5.15 O ATOM 1558 CB PHE A 103 7.829 0.514 -4.879 1.00 2.33 C ATOM 1559 CG PHE A 103 6.661 -0.393 -4.571 1.00 34.24 C ATOM 1560 CD1 PHE A 103 5.751 -0.085 -3.576 1.00 63.24 C ATOM 1561 CD2 PHE A 103 6.471 -1.552 -5.300 1.00 32.14 C ATOM 1562 CE1 PHE A 103 4.681 -0.907 -3.314 1.00 71.15 C ATOM 1563 CE2 PHE A 103 5.401 -2.377 -5.039 1.00 61.22 C ATOM 1564 CZ PHE A 103 4.507 -2.051 -4.044 1.00 71.54 C ATOM 0 H PHE A 103 7.895 2.070 -2.821 1.00 32.44 H new ATOM 0 HA PHE A 103 9.054 -0.512 -3.474 1.00 25.14 H new ATOM 0 HB2 PHE A 103 7.461 1.531 -5.014 1.00 2.33 H new ATOM 0 HB3 PHE A 103 8.274 0.208 -5.826 1.00 2.33 H new ATOM 0 HD1 PHE A 103 5.883 0.816 -2.995 1.00 63.24 H new ATOM 0 HD2 PHE A 103 7.169 -1.813 -6.082 1.00 32.14 H new ATOM 0 HE1 PHE A 103 3.979 -0.651 -2.534 1.00 71.15 H new ATOM 0 HE2 PHE A 103 5.263 -3.280 -5.615 1.00 61.22 H new ATOM 0 HZ PHE A 103 3.668 -2.699 -3.840 1.00 71.54 H new ATOM 1574 N THR A 104 10.786 2.024 -3.749 1.00 0.02 N ATOM 1575 CA THR A 104 12.072 2.539 -4.128 1.00 63.44 C ATOM 1576 C THR A 104 13.141 1.738 -3.357 1.00 45.23 C ATOM 1577 O THR A 104 13.047 1.621 -2.132 1.00 31.51 O ATOM 1578 CB THR A 104 12.179 4.045 -3.756 1.00 25.54 C ATOM 1579 OG1 THR A 104 11.075 4.781 -4.335 1.00 24.31 O ATOM 1580 CG2 THR A 104 13.492 4.645 -4.249 1.00 4.14 C ATOM 0 H THR A 104 10.343 2.528 -2.981 1.00 0.02 H new ATOM 0 HA THR A 104 12.215 2.442 -5.204 1.00 63.44 H new ATOM 0 HB THR A 104 12.146 4.120 -2.669 1.00 25.54 H new ATOM 0 HG1 THR A 104 10.236 4.491 -3.921 1.00 24.31 H new ATOM 0 HG21 THR A 104 13.537 5.699 -3.974 1.00 4.14 H new ATOM 0 HG22 THR A 104 14.328 4.115 -3.793 1.00 4.14 H new ATOM 0 HG23 THR A 104 13.551 4.551 -5.333 1.00 4.14 H new ATOM 1588 N PRO A 105 14.126 1.135 -4.053 1.00 34.31 N ATOM 1589 CA PRO A 105 15.200 0.358 -3.403 1.00 14.22 C ATOM 1590 C PRO A 105 15.960 1.216 -2.393 1.00 10.41 C ATOM 1591 O PRO A 105 16.320 2.360 -2.693 1.00 50.04 O ATOM 1592 CB PRO A 105 16.125 -0.019 -4.561 1.00 52.45 C ATOM 1593 CG PRO A 105 15.287 0.091 -5.785 1.00 64.54 C ATOM 1594 CD PRO A 105 14.282 1.169 -5.516 1.00 22.21 C ATOM 0 HA PRO A 105 14.817 -0.502 -2.855 1.00 14.22 H new ATOM 0 HB2 PRO A 105 16.984 0.649 -4.611 1.00 52.45 H new ATOM 0 HB3 PRO A 105 16.514 -1.030 -4.440 1.00 52.45 H new ATOM 0 HG2 PRO A 105 15.898 0.338 -6.653 1.00 64.54 H new ATOM 0 HG3 PRO A 105 14.792 -0.855 -6.003 1.00 64.54 H new ATOM 0 HD2 PRO A 105 14.635 2.141 -5.860 1.00 22.21 H new ATOM 0 HD3 PRO A 105 13.338 0.974 -6.025 1.00 22.21 H new ATOM 1602 N ASP A 106 16.195 0.686 -1.221 1.00 1.33 N ATOM 1603 CA ASP A 106 16.858 1.449 -0.175 1.00 43.31 C ATOM 1604 C ASP A 106 18.353 1.220 -0.255 1.00 72.11 C ATOM 1605 O ASP A 106 18.811 0.079 -0.147 1.00 43.40 O ATOM 1606 CB ASP A 106 16.350 1.050 1.203 1.00 54.12 C ATOM 1607 CG ASP A 106 16.867 1.948 2.312 1.00 64.40 C ATOM 1608 OD1 ASP A 106 18.024 1.795 2.773 1.00 3.41 O ATOM 1609 OD2 ASP A 106 16.116 2.819 2.760 1.00 42.02 O ATOM 0 H ASP A 106 15.941 -0.267 -0.959 1.00 1.33 H new ATOM 0 HA ASP A 106 16.636 2.505 -0.325 1.00 43.31 H new ATOM 0 HB2 ASP A 106 15.260 1.074 1.203 1.00 54.12 H new ATOM 0 HB3 ASP A 106 16.646 0.021 1.409 1.00 54.12 H new ATOM 1614 N PRO A 107 19.137 2.295 -0.436 1.00 3.33 N ATOM 1615 CA PRO A 107 20.598 2.221 -0.610 1.00 32.32 C ATOM 1616 C PRO A 107 21.359 1.604 0.578 1.00 2.42 C ATOM 1617 O PRO A 107 22.531 1.226 0.447 1.00 72.43 O ATOM 1618 CB PRO A 107 21.021 3.682 -0.820 1.00 45.33 C ATOM 1619 CG PRO A 107 19.909 4.491 -0.248 1.00 34.51 C ATOM 1620 CD PRO A 107 18.661 3.697 -0.474 1.00 14.31 C ATOM 0 HA PRO A 107 20.843 1.558 -1.440 1.00 32.32 H new ATOM 0 HB2 PRO A 107 21.964 3.896 -0.317 1.00 45.33 H new ATOM 0 HB3 PRO A 107 21.166 3.903 -1.877 1.00 45.33 H new ATOM 0 HG2 PRO A 107 20.067 4.675 0.815 1.00 34.51 H new ATOM 0 HG3 PRO A 107 19.845 5.465 -0.734 1.00 34.51 H new ATOM 0 HD2 PRO A 107 17.916 3.890 0.298 1.00 14.31 H new ATOM 0 HD3 PRO A 107 18.198 3.939 -1.431 1.00 14.31 H new ATOM 1628 N SER A 108 20.724 1.515 1.721 1.00 72.40 N ATOM 1629 CA SER A 108 21.380 1.001 2.891 1.00 21.13 C ATOM 1630 C SER A 108 20.618 -0.187 3.471 1.00 62.52 C ATOM 1631 O SER A 108 20.848 -0.591 4.620 1.00 5.01 O ATOM 1632 CB SER A 108 21.491 2.120 3.922 1.00 63.12 C ATOM 1633 OG SER A 108 22.114 3.271 3.348 1.00 2.11 O ATOM 0 H SER A 108 19.753 1.793 1.863 1.00 72.40 H new ATOM 0 HA SER A 108 22.375 0.649 2.619 1.00 21.13 H new ATOM 0 HB2 SER A 108 20.499 2.382 4.291 1.00 63.12 H new ATOM 0 HB3 SER A 108 22.069 1.776 4.780 1.00 63.12 H new ATOM 0 HG SER A 108 22.176 3.980 4.022 1.00 2.11 H new ATOM 1639 N LEU A 109 19.723 -0.762 2.697 1.00 45.22 N ATOM 1640 CA LEU A 109 18.961 -1.867 3.193 1.00 1.13 C ATOM 1641 C LEU A 109 19.454 -3.171 2.620 1.00 61.13 C ATOM 1642 O LEU A 109 19.351 -3.424 1.423 1.00 4.23 O ATOM 1643 CB LEU A 109 17.498 -1.707 2.894 1.00 61.42 C ATOM 1644 CG LEU A 109 16.582 -2.726 3.541 1.00 34.30 C ATOM 1645 CD1 LEU A 109 16.527 -2.531 5.049 1.00 62.50 C ATOM 1646 CD2 LEU A 109 15.215 -2.657 2.937 1.00 65.43 C ATOM 0 H LEU A 109 19.513 -0.483 1.739 1.00 45.22 H new ATOM 0 HA LEU A 109 19.095 -1.883 4.275 1.00 1.13 H new ATOM 0 HB2 LEU A 109 17.187 -0.712 3.212 1.00 61.42 H new ATOM 0 HB3 LEU A 109 17.359 -1.754 1.814 1.00 61.42 H new ATOM 0 HG LEU A 109 16.987 -3.720 3.353 1.00 34.30 H new ATOM 0 HD11 LEU A 109 15.863 -3.275 5.488 1.00 62.50 H new ATOM 0 HD12 LEU A 109 17.527 -2.645 5.467 1.00 62.50 H new ATOM 0 HD13 LEU A 109 16.152 -1.532 5.273 1.00 62.50 H new ATOM 0 HD21 LEU A 109 14.569 -3.395 3.413 1.00 65.43 H new ATOM 0 HD22 LEU A 109 14.800 -1.661 3.089 1.00 65.43 H new ATOM 0 HD23 LEU A 109 15.278 -2.865 1.869 1.00 65.43 H new ATOM 1658 N THR A 110 19.956 -3.985 3.475 1.00 65.33 N ATOM 1659 CA THR A 110 20.444 -5.288 3.121 1.00 75.02 C ATOM 1660 C THR A 110 19.674 -6.288 3.956 1.00 61.20 C ATOM 1661 O THR A 110 19.826 -6.335 5.174 1.00 5.15 O ATOM 1662 CB THR A 110 21.960 -5.405 3.392 1.00 10.53 C ATOM 1663 OG1 THR A 110 22.653 -4.356 2.686 1.00 42.13 O ATOM 1664 CG2 THR A 110 22.501 -6.757 2.938 1.00 22.14 C ATOM 0 H THR A 110 20.046 -3.768 4.468 1.00 65.33 H new ATOM 0 HA THR A 110 20.299 -5.475 2.057 1.00 75.02 H new ATOM 0 HB THR A 110 22.123 -5.312 4.466 1.00 10.53 H new ATOM 0 HG1 THR A 110 23.615 -4.427 2.857 1.00 42.13 H new ATOM 0 HG21 THR A 110 23.570 -6.808 3.142 1.00 22.14 H new ATOM 0 HG22 THR A 110 21.990 -7.554 3.479 1.00 22.14 H new ATOM 0 HG23 THR A 110 22.330 -6.877 1.868 1.00 22.14 H new ATOM 1672 N ILE A 111 18.834 -7.048 3.318 1.00 52.03 N ATOM 1673 CA ILE A 111 17.906 -7.923 4.018 1.00 2.22 C ATOM 1674 C ILE A 111 17.771 -9.259 3.354 1.00 15.11 C ATOM 1675 O ILE A 111 18.177 -9.443 2.211 1.00 44.03 O ATOM 1676 CB ILE A 111 16.476 -7.324 4.081 1.00 30.22 C ATOM 1677 CG1 ILE A 111 15.989 -6.953 2.664 1.00 64.51 C ATOM 1678 CG2 ILE A 111 16.399 -6.155 5.042 1.00 72.42 C ATOM 1679 CD1 ILE A 111 14.561 -6.473 2.591 1.00 61.20 C ATOM 0 H ILE A 111 18.763 -7.088 2.301 1.00 52.03 H new ATOM 0 HA ILE A 111 18.329 -8.031 5.017 1.00 2.22 H new ATOM 0 HB ILE A 111 15.801 -8.084 4.475 1.00 30.22 H new ATOM 0 HG12 ILE A 111 16.640 -6.176 2.263 1.00 64.51 H new ATOM 0 HG13 ILE A 111 16.098 -7.824 2.018 1.00 64.51 H new ATOM 0 HG21 ILE A 111 15.382 -5.763 5.058 1.00 72.42 H new ATOM 0 HG22 ILE A 111 16.675 -6.488 6.043 1.00 72.42 H new ATOM 0 HG23 ILE A 111 17.084 -5.372 4.718 1.00 72.42 H new ATOM 0 HD11 ILE A 111 14.309 -6.236 1.557 1.00 61.20 H new ATOM 0 HD12 ILE A 111 13.895 -7.255 2.957 1.00 61.20 H new ATOM 0 HD13 ILE A 111 14.445 -5.581 3.206 1.00 61.20 H new ATOM 1805 N VAL A 120 20.186 -9.734 0.438 1.00 21.52 N ATOM 1806 CA VAL A 120 20.118 -8.911 -0.737 1.00 31.23 C ATOM 1807 C VAL A 120 20.357 -7.456 -0.334 1.00 50.13 C ATOM 1808 O VAL A 120 19.654 -6.922 0.539 1.00 32.42 O ATOM 1809 CB VAL A 120 18.730 -9.039 -1.436 1.00 30.15 C ATOM 1810 CG1 VAL A 120 18.670 -8.188 -2.694 1.00 54.14 C ATOM 1811 CG2 VAL A 120 18.420 -10.494 -1.770 1.00 32.42 C ATOM 0 HA VAL A 120 20.881 -9.241 -1.442 1.00 31.23 H new ATOM 0 HB VAL A 120 17.976 -8.675 -0.739 1.00 30.15 H new ATOM 0 HG11 VAL A 120 17.691 -8.297 -3.161 1.00 54.14 H new ATOM 0 HG12 VAL A 120 18.834 -7.142 -2.434 1.00 54.14 H new ATOM 0 HG13 VAL A 120 19.442 -8.514 -3.391 1.00 54.14 H new ATOM 0 HG21 VAL A 120 17.447 -10.556 -2.257 1.00 32.42 H new ATOM 0 HG22 VAL A 120 19.186 -10.885 -2.440 1.00 32.42 H new ATOM 0 HG23 VAL A 120 18.405 -11.083 -0.853 1.00 32.42 H new ATOM 1821 N SER A 121 21.348 -6.851 -0.926 1.00 62.01 N ATOM 1822 CA SER A 121 21.704 -5.478 -0.660 1.00 32.52 C ATOM 1823 C SER A 121 20.896 -4.545 -1.567 1.00 14.02 C ATOM 1824 O SER A 121 20.530 -4.935 -2.686 1.00 72.21 O ATOM 1825 CB SER A 121 23.195 -5.305 -0.922 1.00 72.54 C ATOM 1826 OG SER A 121 23.954 -6.267 -0.188 1.00 31.43 O ATOM 0 H SER A 121 21.944 -7.303 -1.620 1.00 62.01 H new ATOM 0 HA SER A 121 21.481 -5.228 0.377 1.00 32.52 H new ATOM 0 HB2 SER A 121 23.396 -5.413 -1.988 1.00 72.54 H new ATOM 0 HB3 SER A 121 23.504 -4.299 -0.639 1.00 72.54 H new ATOM 0 HG SER A 121 24.908 -6.140 -0.372 1.00 31.43 H new ATOM 1832 N ASN A 122 20.609 -3.331 -1.071 1.00 1.21 N ATOM 1833 CA ASN A 122 19.841 -2.305 -1.787 1.00 41.14 C ATOM 1834 C ASN A 122 18.485 -2.829 -2.201 1.00 1.23 C ATOM 1835 O ASN A 122 18.006 -2.574 -3.320 1.00 1.31 O ATOM 1836 CB ASN A 122 20.600 -1.741 -2.998 1.00 2.31 C ATOM 1837 CG ASN A 122 21.737 -0.796 -2.642 1.00 33.44 C ATOM 1838 OD1 ASN A 122 22.383 -0.919 -1.601 1.00 3.13 O ATOM 1839 ND2 ASN A 122 21.974 0.173 -3.492 1.00 10.43 N ATOM 0 H ASN A 122 20.911 -3.031 -0.144 1.00 1.21 H new ATOM 0 HA ASN A 122 19.695 -1.481 -1.089 1.00 41.14 H new ATOM 0 HB2 ASN A 122 21.002 -2.571 -3.578 1.00 2.31 H new ATOM 0 HB3 ASN A 122 19.894 -1.215 -3.641 1.00 2.31 H new ATOM 0 HD21 ASN A 122 22.711 0.852 -3.299 1.00 10.43 H new ATOM 0 HD22 ASN A 122 21.422 0.249 -4.346 1.00 10.43 H new ATOM 1846 N ALA A 123 17.853 -3.527 -1.284 1.00 54.34 N ATOM 1847 CA ALA A 123 16.585 -4.158 -1.542 1.00 32.55 C ATOM 1848 C ALA A 123 15.414 -3.194 -1.341 1.00 13.33 C ATOM 1849 O ALA A 123 15.590 -2.042 -0.917 1.00 24.11 O ATOM 1850 CB ALA A 123 16.426 -5.391 -0.671 1.00 71.25 C ATOM 0 H ALA A 123 18.207 -3.671 -0.338 1.00 54.34 H new ATOM 0 HA ALA A 123 16.572 -4.461 -2.589 1.00 32.55 H new ATOM 0 HB1 ALA A 123 15.463 -5.859 -0.875 1.00 71.25 H new ATOM 0 HB2 ALA A 123 17.227 -6.097 -0.890 1.00 71.25 H new ATOM 0 HB3 ALA A 123 16.474 -5.103 0.379 1.00 71.25 H new ATOM 1856 N ARG A 124 14.231 -3.676 -1.645 1.00 64.40 N ATOM 1857 CA ARG A 124 13.014 -2.906 -1.531 1.00 1.40 C ATOM 1858 C ARG A 124 12.441 -3.013 -0.101 1.00 32.43 C ATOM 1859 O ARG A 124 12.213 -4.116 0.393 1.00 65.42 O ATOM 1860 CB ARG A 124 12.003 -3.421 -2.565 1.00 52.32 C ATOM 1861 CG ARG A 124 10.652 -2.734 -2.537 1.00 75.44 C ATOM 1862 CD ARG A 124 9.713 -3.311 -3.583 1.00 21.30 C ATOM 1863 NE ARG A 124 9.482 -4.746 -3.387 1.00 15.42 N ATOM 1864 CZ ARG A 124 8.704 -5.533 -4.136 1.00 35.11 C ATOM 1865 NH1 ARG A 124 8.120 -5.063 -5.233 1.00 45.04 N ATOM 1866 NH2 ARG A 124 8.557 -6.821 -3.801 1.00 23.54 N ATOM 0 H ARG A 124 14.085 -4.627 -1.983 1.00 64.40 H new ATOM 0 HA ARG A 124 13.224 -1.854 -1.726 1.00 1.40 H new ATOM 0 HB2 ARG A 124 12.432 -3.305 -3.560 1.00 52.32 H new ATOM 0 HB3 ARG A 124 11.854 -4.489 -2.405 1.00 52.32 H new ATOM 0 HG2 ARG A 124 10.208 -2.843 -1.548 1.00 75.44 H new ATOM 0 HG3 ARG A 124 10.782 -1.666 -2.712 1.00 75.44 H new ATOM 0 HD2 ARG A 124 8.760 -2.783 -3.545 1.00 21.30 H new ATOM 0 HD3 ARG A 124 10.131 -3.144 -4.576 1.00 21.30 H new ATOM 0 HE ARG A 124 9.962 -5.186 -2.602 1.00 15.42 H new ATOM 0 HH11 ARG A 124 8.263 -4.092 -5.511 1.00 45.04 H new ATOM 0 HH12 ARG A 124 7.528 -5.673 -5.797 1.00 45.04 H new ATOM 0 HH21 ARG A 124 9.037 -7.193 -2.981 1.00 23.54 H new ATOM 0 HH22 ARG A 124 7.965 -7.431 -4.366 1.00 23.54 H new ATOM 1880 N PRO A 125 12.212 -1.858 0.578 1.00 2.35 N ATOM 1881 CA PRO A 125 11.656 -1.798 1.954 1.00 65.33 C ATOM 1882 C PRO A 125 10.350 -2.595 2.150 1.00 72.11 C ATOM 1883 O PRO A 125 10.074 -3.076 3.249 1.00 31.43 O ATOM 1884 CB PRO A 125 11.393 -0.308 2.156 1.00 2.12 C ATOM 1885 CG PRO A 125 12.404 0.358 1.305 1.00 64.12 C ATOM 1886 CD PRO A 125 12.542 -0.504 0.082 1.00 44.00 C ATOM 0 HA PRO A 125 12.346 -2.247 2.668 1.00 65.33 H new ATOM 0 HB2 PRO A 125 10.380 -0.038 1.856 1.00 2.12 H new ATOM 0 HB3 PRO A 125 11.503 -0.023 3.202 1.00 2.12 H new ATOM 0 HG2 PRO A 125 12.088 1.367 1.039 1.00 64.12 H new ATOM 0 HG3 PRO A 125 13.356 0.450 1.828 1.00 64.12 H new ATOM 0 HD2 PRO A 125 11.862 -0.190 -0.710 1.00 44.00 H new ATOM 0 HD3 PRO A 125 13.551 -0.461 -0.328 1.00 44.00 H new ATOM 1894 N VAL A 126 9.564 -2.751 1.084 1.00 14.22 N ATOM 1895 CA VAL A 126 8.313 -3.531 1.152 1.00 61.44 C ATOM 1896 C VAL A 126 8.621 -4.973 1.551 1.00 35.13 C ATOM 1897 O VAL A 126 7.933 -5.572 2.368 1.00 1.13 O ATOM 1898 CB VAL A 126 7.551 -3.541 -0.207 1.00 4.35 C ATOM 1899 CG1 VAL A 126 6.285 -4.379 -0.119 1.00 11.24 C ATOM 1900 CG2 VAL A 126 7.195 -2.143 -0.635 1.00 65.13 C ATOM 0 H VAL A 126 9.763 -2.353 0.166 1.00 14.22 H new ATOM 0 HA VAL A 126 7.678 -3.053 1.897 1.00 61.44 H new ATOM 0 HB VAL A 126 8.217 -3.982 -0.948 1.00 4.35 H new ATOM 0 HG11 VAL A 126 5.774 -4.368 -1.082 1.00 11.24 H new ATOM 0 HG12 VAL A 126 6.545 -5.405 0.142 1.00 11.24 H new ATOM 0 HG13 VAL A 126 5.628 -3.966 0.646 1.00 11.24 H new ATOM 0 HG21 VAL A 126 6.664 -2.178 -1.586 1.00 65.13 H new ATOM 0 HG22 VAL A 126 6.558 -1.683 0.120 1.00 65.13 H new ATOM 0 HG23 VAL A 126 8.105 -1.554 -0.749 1.00 65.13 H new ATOM 1910 N ASP A 127 9.699 -5.485 1.024 1.00 31.15 N ATOM 1911 CA ASP A 127 10.103 -6.850 1.289 1.00 61.32 C ATOM 1912 C ASP A 127 10.552 -7.016 2.711 1.00 0.40 C ATOM 1913 O ASP A 127 10.396 -8.071 3.285 1.00 45.54 O ATOM 1914 CB ASP A 127 11.184 -7.303 0.331 1.00 33.12 C ATOM 1915 CG ASP A 127 10.699 -7.349 -1.085 1.00 62.54 C ATOM 1916 OD1 ASP A 127 10.757 -6.331 -1.778 1.00 54.30 O ATOM 1917 OD2 ASP A 127 10.273 -8.419 -1.556 1.00 42.13 O ATOM 0 H ASP A 127 10.324 -4.975 0.400 1.00 31.15 H new ATOM 0 HA ASP A 127 9.230 -7.483 1.132 1.00 61.32 H new ATOM 0 HB2 ASP A 127 12.036 -6.626 0.400 1.00 33.12 H new ATOM 0 HB3 ASP A 127 11.537 -8.291 0.625 1.00 33.12 H new ATOM 1922 N ALA A 128 11.096 -5.953 3.282 1.00 1.34 N ATOM 1923 CA ALA A 128 11.536 -5.964 4.666 1.00 13.23 C ATOM 1924 C ALA A 128 10.345 -6.129 5.594 1.00 33.02 C ATOM 1925 O ALA A 128 10.383 -6.924 6.520 1.00 42.22 O ATOM 1926 CB ALA A 128 12.304 -4.696 5.009 1.00 62.14 C ATOM 0 H ALA A 128 11.244 -5.065 2.802 1.00 1.34 H new ATOM 0 HA ALA A 128 12.209 -6.811 4.801 1.00 13.23 H new ATOM 0 HB1 ALA A 128 12.620 -4.733 6.051 1.00 62.14 H new ATOM 0 HB2 ALA A 128 13.181 -4.617 4.366 1.00 62.14 H new ATOM 0 HB3 ALA A 128 11.662 -3.829 4.855 1.00 62.14 H new ATOM 1932 N LEU A 129 9.268 -5.403 5.327 1.00 22.30 N ATOM 1933 CA LEU A 129 8.073 -5.506 6.160 1.00 4.40 C ATOM 1934 C LEU A 129 7.403 -6.859 5.941 1.00 31.35 C ATOM 1935 O LEU A 129 6.892 -7.468 6.876 1.00 23.40 O ATOM 1936 CB LEU A 129 7.114 -4.308 5.926 1.00 54.40 C ATOM 1937 CG LEU A 129 6.447 -4.189 4.554 1.00 15.32 C ATOM 1938 CD1 LEU A 129 5.153 -4.988 4.497 1.00 62.22 C ATOM 1939 CD2 LEU A 129 6.226 -2.739 4.169 1.00 24.42 C ATOM 0 H LEU A 129 9.194 -4.744 4.552 1.00 22.30 H new ATOM 0 HA LEU A 129 8.363 -5.452 7.209 1.00 4.40 H new ATOM 0 HB2 LEU A 129 6.327 -4.356 6.679 1.00 54.40 H new ATOM 0 HB3 LEU A 129 7.673 -3.390 6.108 1.00 54.40 H new ATOM 0 HG LEU A 129 7.127 -4.618 3.819 1.00 15.32 H new ATOM 0 HD11 LEU A 129 4.704 -4.883 3.510 1.00 62.22 H new ATOM 0 HD12 LEU A 129 5.366 -6.040 4.689 1.00 62.22 H new ATOM 0 HD13 LEU A 129 4.461 -4.615 5.252 1.00 62.22 H new ATOM 0 HD21 LEU A 129 5.751 -2.691 3.189 1.00 24.42 H new ATOM 0 HD22 LEU A 129 5.583 -2.260 4.908 1.00 24.42 H new ATOM 0 HD23 LEU A 129 7.185 -2.222 4.133 1.00 24.42 H new ATOM 1951 N HIS A 130 7.491 -7.347 4.707 1.00 51.13 N ATOM 1952 CA HIS A 130 6.946 -8.638 4.309 1.00 71.23 C ATOM 1953 C HIS A 130 7.757 -9.761 4.983 1.00 50.33 C ATOM 1954 O HIS A 130 7.261 -10.864 5.226 1.00 72.32 O ATOM 1955 CB HIS A 130 7.012 -8.746 2.767 1.00 13.51 C ATOM 1956 CG HIS A 130 6.395 -9.973 2.169 1.00 73.51 C ATOM 1957 ND1 HIS A 130 5.124 -10.413 2.214 1.00 3.14 N flip ATOM 1958 CD2 HIS A 130 7.078 -10.875 1.387 1.00 50.53 C flip ATOM 1959 CE1 HIS A 130 5.014 -11.584 1.465 1.00 11.00 C flip ATOM 1960 NE2 HIS A 130 6.219 -11.815 0.991 1.00 62.41 N flip ATOM 0 H HIS A 130 7.950 -6.848 3.945 1.00 51.13 H new ATOM 0 HA HIS A 130 5.907 -8.734 4.624 1.00 71.23 H new ATOM 0 HB2 HIS A 130 6.521 -7.871 2.340 1.00 13.51 H new ATOM 0 HB3 HIS A 130 8.058 -8.705 2.464 1.00 13.51 H new ATOM 0 HD2 HIS A 130 8.128 -10.830 1.137 1.00 50.53 H new ATOM 0 HE1 HIS A 130 4.125 -12.177 1.307 1.00 11.00 H new ATOM 0 HE2 HIS A 130 6.464 -12.608 0.399 1.00 62.41 H new ATOM 1968 N ALA A 131 8.994 -9.442 5.306 1.00 63.12 N ATOM 1969 CA ALA A 131 9.903 -10.360 5.983 1.00 71.23 C ATOM 1970 C ALA A 131 9.872 -10.147 7.501 1.00 23.31 C ATOM 1971 O ALA A 131 10.669 -10.737 8.235 1.00 31.12 O ATOM 1972 CB ALA A 131 11.324 -10.190 5.453 1.00 40.15 C ATOM 0 H ALA A 131 9.406 -8.530 5.106 1.00 63.12 H new ATOM 0 HA ALA A 131 9.570 -11.377 5.776 1.00 71.23 H new ATOM 0 HB1 ALA A 131 11.990 -10.882 5.968 1.00 40.15 H new ATOM 0 HB2 ALA A 131 11.341 -10.399 4.383 1.00 40.15 H new ATOM 0 HB3 ALA A 131 11.658 -9.167 5.628 1.00 40.15 H new ATOM 1978 N HIS A 132 8.944 -9.294 7.957 1.00 2.13 N ATOM 1979 CA HIS A 132 8.733 -8.996 9.393 1.00 63.12 C ATOM 1980 C HIS A 132 9.887 -8.201 10.012 1.00 1.55 C ATOM 1981 O HIS A 132 10.193 -8.316 11.192 1.00 23.13 O ATOM 1982 CB HIS A 132 8.398 -10.270 10.201 1.00 44.23 C ATOM 1983 CG HIS A 132 7.072 -10.868 9.826 1.00 50.43 C ATOM 1984 ND1 HIS A 132 6.911 -11.927 8.959 1.00 63.32 N ATOM 1985 CD2 HIS A 132 5.828 -10.518 10.213 1.00 53.21 C ATOM 1986 CE1 HIS A 132 5.606 -12.177 8.846 1.00 70.12 C ATOM 1987 NE2 HIS A 132 4.901 -11.348 9.587 1.00 33.11 N ATOM 0 H HIS A 132 8.311 -8.784 7.341 1.00 2.13 H new ATOM 0 HA HIS A 132 7.860 -8.345 9.447 1.00 63.12 H new ATOM 0 HB2 HIS A 132 9.182 -11.010 10.044 1.00 44.23 H new ATOM 0 HB3 HIS A 132 8.395 -10.030 11.264 1.00 44.23 H new ATOM 0 HD2 HIS A 132 5.589 -9.720 10.900 1.00 53.21 H new ATOM 0 HE1 HIS A 132 5.184 -12.956 8.229 1.00 70.12 H new ATOM 0 HE2 HIS A 132 3.886 -11.319 9.683 1.00 33.11 H new ATOM 1995 N GLN A 133 10.482 -7.366 9.207 1.00 53.14 N ATOM 1996 CA GLN A 133 11.531 -6.434 9.621 1.00 72.24 C ATOM 1997 C GLN A 133 10.967 -5.020 9.517 1.00 54.14 C ATOM 1998 O GLN A 133 11.697 -4.034 9.375 1.00 64.50 O ATOM 1999 CB GLN A 133 12.773 -6.580 8.749 1.00 53.51 C ATOM 2000 CG GLN A 133 13.375 -7.973 8.762 1.00 2.10 C ATOM 2001 CD GLN A 133 14.696 -8.037 8.037 1.00 52.21 C ATOM 2002 OE1 GLN A 133 15.452 -7.062 8.010 1.00 11.14 O ATOM 2003 NE2 GLN A 133 14.994 -9.161 7.456 1.00 31.32 N ATOM 0 H GLN A 133 10.255 -7.301 8.215 1.00 53.14 H new ATOM 0 HA GLN A 133 11.833 -6.649 10.646 1.00 72.24 H new ATOM 0 HB2 GLN A 133 12.517 -6.315 7.723 1.00 53.51 H new ATOM 0 HB3 GLN A 133 13.526 -5.867 9.084 1.00 53.51 H new ATOM 0 HG2 GLN A 133 13.514 -8.296 9.794 1.00 2.10 H new ATOM 0 HG3 GLN A 133 12.677 -8.672 8.301 1.00 2.10 H new ATOM 0 HE21 GLN A 133 14.344 -9.946 7.500 1.00 31.32 H new ATOM 0 HE22 GLN A 133 15.878 -9.258 6.957 1.00 31.32 H new ATOM 2012 N ALA A 134 9.642 -4.954 9.607 1.00 15.23 N ATOM 2013 CA ALA A 134 8.844 -3.748 9.410 1.00 43.14 C ATOM 2014 C ALA A 134 9.297 -2.568 10.264 1.00 55.33 C ATOM 2015 O ALA A 134 9.145 -1.435 9.846 1.00 14.41 O ATOM 2016 CB ALA A 134 7.373 -4.046 9.659 1.00 43.33 C ATOM 0 H ALA A 134 9.073 -5.771 9.828 1.00 15.23 H new ATOM 0 HA ALA A 134 8.993 -3.448 8.373 1.00 43.14 H new ATOM 0 HB1 ALA A 134 6.788 -3.139 9.509 1.00 43.33 H new ATOM 0 HB2 ALA A 134 7.035 -4.815 8.964 1.00 43.33 H new ATOM 0 HB3 ALA A 134 7.241 -4.398 10.682 1.00 43.33 H new ATOM 2022 N ARG A 135 9.864 -2.831 11.441 1.00 22.31 N ATOM 2023 CA ARG A 135 10.349 -1.753 12.336 1.00 74.23 C ATOM 2024 C ARG A 135 11.385 -0.872 11.640 1.00 21.22 C ATOM 2025 O ARG A 135 11.404 0.346 11.824 1.00 52.43 O ATOM 2026 CB ARG A 135 10.938 -2.319 13.624 1.00 1.44 C ATOM 2027 CG ARG A 135 9.948 -3.084 14.471 1.00 43.43 C ATOM 2028 CD ARG A 135 10.609 -3.670 15.695 1.00 40.44 C ATOM 2029 NE ARG A 135 9.680 -4.492 16.479 1.00 60.21 N ATOM 2030 CZ ARG A 135 10.025 -5.597 17.157 1.00 74.32 C ATOM 2031 NH1 ARG A 135 11.294 -5.988 17.199 1.00 64.13 N ATOM 2032 NH2 ARG A 135 9.103 -6.305 17.792 1.00 73.33 N ATOM 0 H ARG A 135 10.003 -3.773 11.806 1.00 22.31 H new ATOM 0 HA ARG A 135 9.483 -1.141 12.588 1.00 74.23 H new ATOM 0 HB2 ARG A 135 11.769 -2.977 13.372 1.00 1.44 H new ATOM 0 HB3 ARG A 135 11.348 -1.499 14.214 1.00 1.44 H new ATOM 0 HG2 ARG A 135 9.138 -2.421 14.775 1.00 43.43 H new ATOM 0 HG3 ARG A 135 9.501 -3.883 13.879 1.00 43.43 H new ATOM 0 HD2 ARG A 135 11.462 -4.276 15.391 1.00 40.44 H new ATOM 0 HD3 ARG A 135 10.996 -2.865 16.319 1.00 40.44 H new ATOM 0 HE ARG A 135 8.702 -4.203 16.511 1.00 60.21 H new ATOM 0 HH11 ARG A 135 12.011 -5.447 16.715 1.00 64.13 H new ATOM 0 HH12 ARG A 135 11.552 -6.829 17.716 1.00 64.13 H new ATOM 0 HH21 ARG A 135 8.127 -6.011 17.767 1.00 73.33 H new ATOM 0 HH22 ARG A 135 9.369 -7.145 18.306 1.00 73.33 H new ATOM 2046 N GLU A 136 12.200 -1.483 10.800 1.00 5.25 N ATOM 2047 CA GLU A 136 13.237 -0.765 10.075 1.00 65.11 C ATOM 2048 C GLU A 136 12.608 0.106 9.005 1.00 21.51 C ATOM 2049 O GLU A 136 13.082 1.207 8.709 1.00 73.01 O ATOM 2050 CB GLU A 136 14.271 -1.739 9.475 1.00 44.32 C ATOM 2051 CG GLU A 136 15.243 -2.362 10.492 1.00 35.01 C ATOM 2052 CD GLU A 136 14.566 -3.075 11.650 1.00 41.15 C ATOM 2053 OE1 GLU A 136 14.271 -4.285 11.545 1.00 43.10 O ATOM 2054 OE2 GLU A 136 14.338 -2.442 12.688 1.00 3.13 O ATOM 0 H GLU A 136 12.164 -2.483 10.601 1.00 5.25 H new ATOM 0 HA GLU A 136 13.772 -0.121 10.773 1.00 65.11 H new ATOM 0 HB2 GLU A 136 13.739 -2.542 8.965 1.00 44.32 H new ATOM 0 HB3 GLU A 136 14.850 -1.210 8.718 1.00 44.32 H new ATOM 0 HG2 GLU A 136 15.889 -3.070 9.973 1.00 35.01 H new ATOM 0 HG3 GLU A 136 15.886 -1.577 10.890 1.00 35.01 H new ATOM 2061 N VAL A 137 11.507 -0.376 8.474 1.00 45.14 N ATOM 2062 CA VAL A 137 10.747 0.344 7.478 1.00 33.22 C ATOM 2063 C VAL A 137 10.068 1.529 8.151 1.00 63.30 C ATOM 2064 O VAL A 137 10.070 2.639 7.625 1.00 14.11 O ATOM 2065 CB VAL A 137 9.679 -0.568 6.822 1.00 1.22 C ATOM 2066 CG1 VAL A 137 8.878 0.184 5.774 1.00 1.44 C ATOM 2067 CG2 VAL A 137 10.332 -1.793 6.211 1.00 63.34 C ATOM 0 H VAL A 137 11.112 -1.283 8.722 1.00 45.14 H new ATOM 0 HA VAL A 137 11.422 0.686 6.693 1.00 33.22 H new ATOM 0 HB VAL A 137 8.989 -0.889 7.602 1.00 1.22 H new ATOM 0 HG11 VAL A 137 8.138 -0.484 5.333 1.00 1.44 H new ATOM 0 HG12 VAL A 137 8.372 1.029 6.240 1.00 1.44 H new ATOM 0 HG13 VAL A 137 9.548 0.547 4.995 1.00 1.44 H new ATOM 0 HG21 VAL A 137 9.568 -2.423 5.755 1.00 63.34 H new ATOM 0 HG22 VAL A 137 11.048 -1.482 5.450 1.00 63.34 H new ATOM 0 HG23 VAL A 137 10.849 -2.355 6.988 1.00 63.34 H new ATOM 2077 N VAL A 138 9.518 1.275 9.337 1.00 31.53 N ATOM 2078 CA VAL A 138 8.878 2.301 10.145 1.00 73.04 C ATOM 2079 C VAL A 138 9.879 3.401 10.473 1.00 4.11 C ATOM 2080 O VAL A 138 9.559 4.573 10.380 1.00 52.53 O ATOM 2081 CB VAL A 138 8.262 1.724 11.465 1.00 65.24 C ATOM 2082 CG1 VAL A 138 7.642 2.830 12.319 1.00 14.43 C ATOM 2083 CG2 VAL A 138 7.208 0.671 11.155 1.00 23.00 C ATOM 0 H VAL A 138 9.506 0.348 9.762 1.00 31.53 H new ATOM 0 HA VAL A 138 8.056 2.711 9.559 1.00 73.04 H new ATOM 0 HB VAL A 138 9.074 1.263 12.027 1.00 65.24 H new ATOM 0 HG11 VAL A 138 7.223 2.397 13.227 1.00 14.43 H new ATOM 0 HG12 VAL A 138 8.409 3.558 12.584 1.00 14.43 H new ATOM 0 HG13 VAL A 138 6.851 3.325 11.755 1.00 14.43 H new ATOM 0 HG21 VAL A 138 6.794 0.285 12.087 1.00 23.00 H new ATOM 0 HG22 VAL A 138 6.410 1.118 10.562 1.00 23.00 H new ATOM 0 HG23 VAL A 138 7.663 -0.145 10.594 1.00 23.00 H new ATOM 2093 N ARG A 139 11.094 3.013 10.820 1.00 62.33 N ATOM 2094 CA ARG A 139 12.139 3.974 11.127 1.00 40.11 C ATOM 2095 C ARG A 139 12.441 4.883 9.910 1.00 2.04 C ATOM 2096 O ARG A 139 12.491 6.113 10.043 1.00 50.53 O ATOM 2097 CB ARG A 139 13.405 3.273 11.596 1.00 0.41 C ATOM 2098 CG ARG A 139 14.475 4.247 12.013 1.00 43.45 C ATOM 2099 CD ARG A 139 15.768 3.565 12.370 1.00 41.31 C ATOM 2100 NE ARG A 139 16.774 4.560 12.719 1.00 12.13 N ATOM 2101 CZ ARG A 139 18.085 4.372 12.734 1.00 5.43 C ATOM 2102 NH1 ARG A 139 18.601 3.191 12.444 1.00 71.42 N ATOM 2103 NH2 ARG A 139 18.880 5.378 13.039 1.00 4.14 N ATOM 0 H ARG A 139 11.381 2.037 10.896 1.00 62.33 H new ATOM 0 HA ARG A 139 11.776 4.605 11.939 1.00 40.11 H new ATOM 0 HB2 ARG A 139 13.166 2.618 12.434 1.00 0.41 H new ATOM 0 HB3 ARG A 139 13.785 2.640 10.795 1.00 0.41 H new ATOM 0 HG2 ARG A 139 14.653 4.955 11.203 1.00 43.45 H new ATOM 0 HG3 ARG A 139 14.124 4.823 12.869 1.00 43.45 H new ATOM 0 HD2 ARG A 139 15.611 2.885 13.207 1.00 41.31 H new ATOM 0 HD3 ARG A 139 16.115 2.963 11.530 1.00 41.31 H new ATOM 0 HE ARG A 139 16.437 5.488 12.976 1.00 12.13 H new ATOM 0 HH11 ARG A 139 17.988 2.411 12.205 1.00 71.42 H new ATOM 0 HH12 ARG A 139 19.612 3.059 12.459 1.00 71.42 H new ATOM 0 HH21 ARG A 139 18.484 6.292 13.261 1.00 4.14 H new ATOM 0 HH22 ARG A 139 19.891 5.243 13.053 1.00 4.14 H new ATOM 2117 N ARG A 140 12.600 4.277 8.722 1.00 45.22 N ATOM 2118 CA ARG A 140 12.820 5.055 7.486 1.00 42.31 C ATOM 2119 C ARG A 140 11.607 5.967 7.235 1.00 63.34 C ATOM 2120 O ARG A 140 11.752 7.134 6.846 1.00 51.22 O ATOM 2121 CB ARG A 140 13.054 4.125 6.265 1.00 31.14 C ATOM 2122 CG ARG A 140 13.175 4.864 4.915 1.00 1.32 C ATOM 2123 CD ARG A 140 14.458 5.701 4.795 1.00 31.14 C ATOM 2124 NE ARG A 140 15.641 4.882 4.469 1.00 75.23 N ATOM 2125 CZ ARG A 140 16.923 5.235 4.655 1.00 31.42 C ATOM 2126 NH1 ARG A 140 17.235 6.376 5.271 1.00 72.42 N ATOM 2127 NH2 ARG A 140 17.886 4.444 4.199 1.00 62.03 N ATOM 0 H ARG A 140 12.581 3.266 8.589 1.00 45.22 H new ATOM 0 HA ARG A 140 13.716 5.662 7.614 1.00 42.31 H new ATOM 0 HB2 ARG A 140 13.963 3.548 6.432 1.00 31.14 H new ATOM 0 HB3 ARG A 140 12.231 3.413 6.203 1.00 31.14 H new ATOM 0 HG2 ARG A 140 13.148 4.135 4.105 1.00 1.32 H new ATOM 0 HG3 ARG A 140 12.311 5.516 4.786 1.00 1.32 H new ATOM 0 HD2 ARG A 140 14.322 6.459 4.024 1.00 31.14 H new ATOM 0 HD3 ARG A 140 14.633 6.228 5.733 1.00 31.14 H new ATOM 0 HE ARG A 140 15.469 3.962 4.065 1.00 75.23 H new ATOM 0 HH11 ARG A 140 16.495 6.993 5.607 1.00 72.42 H new ATOM 0 HH12 ARG A 140 18.213 6.632 5.406 1.00 72.42 H new ATOM 0 HH21 ARG A 140 17.648 3.579 3.714 1.00 62.03 H new ATOM 0 HH22 ARG A 140 18.864 4.701 4.334 1.00 62.03 H new ATOM 2141 N ALA A 141 10.430 5.429 7.508 1.00 63.13 N ATOM 2142 CA ALA A 141 9.175 6.139 7.364 1.00 1.32 C ATOM 2143 C ALA A 141 9.148 7.378 8.249 1.00 1.43 C ATOM 2144 O ALA A 141 8.796 8.445 7.795 1.00 32.12 O ATOM 2145 CB ALA A 141 8.033 5.225 7.737 1.00 45.53 C ATOM 0 H ALA A 141 10.321 4.471 7.841 1.00 63.13 H new ATOM 0 HA ALA A 141 9.072 6.454 6.326 1.00 1.32 H new ATOM 0 HB1 ALA A 141 7.089 5.759 7.629 1.00 45.53 H new ATOM 0 HB2 ALA A 141 8.035 4.354 7.081 1.00 45.53 H new ATOM 0 HB3 ALA A 141 8.150 4.900 8.771 1.00 45.53 H new ATOM 2151 N GLN A 142 9.547 7.219 9.502 1.00 32.23 N ATOM 2152 CA GLN A 142 9.603 8.320 10.475 1.00 41.40 C ATOM 2153 C GLN A 142 10.517 9.445 9.996 1.00 51.03 C ATOM 2154 O GLN A 142 10.183 10.634 10.126 1.00 34.40 O ATOM 2155 CB GLN A 142 10.070 7.803 11.831 1.00 5.42 C ATOM 2156 CG GLN A 142 9.141 6.765 12.426 1.00 21.25 C ATOM 2157 CD GLN A 142 9.691 6.113 13.672 1.00 31.30 C ATOM 2158 OE1 GLN A 142 10.909 5.982 13.851 1.00 52.14 O ATOM 2159 NE2 GLN A 142 8.815 5.663 14.517 1.00 61.25 N ATOM 0 H GLN A 142 9.844 6.321 9.883 1.00 32.23 H new ATOM 0 HA GLN A 142 8.597 8.727 10.575 1.00 41.40 H new ATOM 0 HB2 GLN A 142 11.066 7.372 11.725 1.00 5.42 H new ATOM 0 HB3 GLN A 142 10.157 8.642 12.522 1.00 5.42 H new ATOM 0 HG2 GLN A 142 8.186 7.235 12.662 1.00 21.25 H new ATOM 0 HG3 GLN A 142 8.942 5.996 11.680 1.00 21.25 H new ATOM 0 HE21 GLN A 142 7.819 5.790 14.335 1.00 61.25 H new ATOM 0 HE22 GLN A 142 9.122 5.183 15.363 1.00 61.25 H new ATOM 2168 N ALA A 143 11.648 9.066 9.420 1.00 42.13 N ATOM 2169 CA ALA A 143 12.620 10.023 8.898 1.00 40.32 C ATOM 2170 C ALA A 143 12.059 10.781 7.695 1.00 23.23 C ATOM 2171 O ALA A 143 12.333 11.969 7.502 1.00 41.14 O ATOM 2172 CB ALA A 143 13.905 9.308 8.517 1.00 2.21 C ATOM 0 H ALA A 143 11.920 8.090 9.300 1.00 42.13 H new ATOM 0 HA ALA A 143 12.835 10.749 9.682 1.00 40.32 H new ATOM 0 HB1 ALA A 143 14.622 10.031 8.129 1.00 2.21 H new ATOM 0 HB2 ALA A 143 14.323 8.818 9.396 1.00 2.21 H new ATOM 0 HB3 ALA A 143 13.693 8.561 7.752 1.00 2.21 H new ATOM 2178 N MET A 144 11.272 10.096 6.904 1.00 3.15 N ATOM 2179 CA MET A 144 10.671 10.681 5.718 1.00 71.45 C ATOM 2180 C MET A 144 9.437 11.510 6.089 1.00 1.25 C ATOM 2181 O MET A 144 9.164 12.542 5.491 1.00 64.23 O ATOM 2182 CB MET A 144 10.290 9.570 4.717 1.00 42.02 C ATOM 2183 CG MET A 144 9.670 10.065 3.411 1.00 1.12 C ATOM 2184 SD MET A 144 10.794 11.104 2.447 1.00 61.11 S ATOM 2185 CE MET A 144 9.746 11.526 1.051 1.00 34.41 C ATOM 0 H MET A 144 11.026 9.118 7.058 1.00 3.15 H new ATOM 0 HA MET A 144 11.399 11.344 5.251 1.00 71.45 H new ATOM 0 HB2 MET A 144 11.183 8.991 4.482 1.00 42.02 H new ATOM 0 HB3 MET A 144 9.588 8.890 5.201 1.00 42.02 H new ATOM 0 HG2 MET A 144 9.370 9.207 2.809 1.00 1.12 H new ATOM 0 HG3 MET A 144 8.765 10.629 3.635 1.00 1.12 H new ATOM 0 HE1 MET A 144 10.297 12.166 0.363 1.00 34.41 H new ATOM 0 HE2 MET A 144 9.443 10.615 0.535 1.00 34.41 H new ATOM 0 HE3 MET A 144 8.861 12.053 1.407 1.00 34.41 H new ATOM 2195 N ALA A 145 8.712 11.052 7.080 1.00 61.40 N ATOM 2196 CA ALA A 145 7.473 11.682 7.499 1.00 12.54 C ATOM 2197 C ALA A 145 7.683 13.003 8.208 1.00 53.12 C ATOM 2198 O ALA A 145 7.048 13.990 7.868 1.00 34.22 O ATOM 2199 CB ALA A 145 6.658 10.755 8.376 1.00 71.51 C ATOM 0 H ALA A 145 8.962 10.227 7.625 1.00 61.40 H new ATOM 0 HA ALA A 145 6.924 11.892 6.581 1.00 12.54 H new ATOM 0 HB1 ALA A 145 5.736 11.254 8.674 1.00 71.51 H new ATOM 0 HB2 ALA A 145 6.417 9.848 7.822 1.00 71.51 H new ATOM 0 HB3 ALA A 145 7.234 10.495 9.264 1.00 71.51 H new ATOM 2205 N TYR A 146 8.555 13.019 9.181 1.00 71.11 N ATOM 2206 CA TYR A 146 8.746 14.208 9.974 1.00 53.20 C ATOM 2207 C TYR A 146 10.061 14.861 9.601 1.00 1.34 C ATOM 2208 O TYR A 146 11.100 14.472 10.163 1.00 38.57 O ATOM 2209 CB TYR A 146 8.724 13.868 11.477 1.00 32.11 C ATOM 2210 CG TYR A 146 7.488 13.115 11.942 1.00 52.13 C ATOM 2211 CD1 TYR A 146 6.290 13.776 12.190 1.00 24.52 C ATOM 2212 CD2 TYR A 146 7.527 11.739 12.142 1.00 5.41 C ATOM 2213 CE1 TYR A 146 5.171 13.087 12.624 1.00 21.23 C ATOM 2214 CE2 TYR A 146 6.413 11.047 12.572 1.00 63.34 C ATOM 2215 CZ TYR A 146 5.238 11.724 12.813 1.00 64.51 C ATOM 2216 OH TYR A 146 4.124 11.027 13.257 1.00 14.33 O ATOM 2217 OXT TYR A 146 10.077 15.748 8.723 1.00 38.57 O ATOM 0 H TYR A 146 9.142 12.228 9.444 1.00 71.11 H new ATOM 0 HA TYR A 146 7.931 14.902 9.772 1.00 53.20 H new ATOM 0 HB2 TYR A 146 9.606 13.272 11.713 1.00 32.11 H new ATOM 0 HB3 TYR A 146 8.803 14.794 12.046 1.00 32.11 H new ATOM 0 HD1 TYR A 146 6.232 14.844 12.042 1.00 24.52 H new ATOM 0 HD2 TYR A 146 8.446 11.202 11.957 1.00 5.41 H new ATOM 0 HE1 TYR A 146 4.249 13.616 12.814 1.00 21.23 H new ATOM 0 HE2 TYR A 146 6.462 9.978 12.719 1.00 63.34 H new ATOM 0 HH TYR A 146 3.320 11.569 13.113 1.00 14.33 H new