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 -101:sc= 1.2 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 1.02 USER MOD Set 2.1: A 73 ASN : amide:sc= 0.0827 K(o=1.1,f=0.42) USER MOD Set 2.2: A 130 HIS : +bothHN:sc= 1.05 K(o=1.1,f=-3.8!) USER MOD Single : A 29 THR OG1 : rot -72:sc= 0.214 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= -0.0132 (180deg=-0.0966) USER MOD Single : A 48 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.4) USER MOD Single : A 49 GLN : amide:sc= -0.423 K(o=-0.42,f=-4.6!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.228 F(o=-1.6!,f=-0.23) USER MOD Single : A 72 THR OG1 : rot 73:sc= 0.267 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0334) USER MOD Single : A 80 SER OG : rot -160:sc= 0 USER MOD Single : A 86 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 64:sc= 1.28 USER MOD Single : A 96 THR OG1 : rot 146:sc= 0.753 USER MOD Single : A 99 MET CE :methyl 157:sc= -4.01! (180deg=-5.42!) USER MOD Single : A 104 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 108 SER OG : rot 32:sc= 1.3 USER MOD Single : A 122 ASN : amide:sc= -1.28 K(o=-1.3,f=-6.4!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 133 GLN : amide:sc= -0.326 K(o=-0.33,f=-1.7) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 144 MET CE :methyl -171:sc= -0.0173 (180deg=-0.182) USER MOD Single : A 146 TYR OH : rot 27:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -8.434 5.010 -3.393 1.00 44.10 N ATOM 240 CA ALA A 18 -7.381 4.338 -4.125 1.00 20.41 C ATOM 241 C ALA A 18 -6.621 5.346 -4.955 1.00 4.10 C ATOM 242 O ALA A 18 -7.232 6.262 -5.546 1.00 52.01 O ATOM 243 CB ALA A 18 -7.923 3.222 -5.000 1.00 44.21 C ATOM 0 HA ALA A 18 -6.705 3.877 -3.404 1.00 20.41 H new ATOM 0 HB1 ALA A 18 -7.100 2.744 -5.532 1.00 44.21 H new ATOM 0 HB2 ALA A 18 -8.429 2.485 -4.377 1.00 44.21 H new ATOM 0 HB3 ALA A 18 -8.629 3.635 -5.720 1.00 44.21 H new ATOM 249 N GLY A 19 -5.322 5.235 -4.962 1.00 32.00 N ATOM 250 CA GLY A 19 -4.511 6.179 -5.681 1.00 75.22 C ATOM 251 C GLY A 19 -3.817 5.607 -6.896 1.00 72.40 C ATOM 252 O GLY A 19 -4.406 4.826 -7.672 1.00 43.01 O ATOM 0 H GLY A 19 -4.802 4.502 -4.479 1.00 32.00 H new ATOM 0 HA2 GLY A 19 -5.138 7.014 -5.995 1.00 75.22 H new ATOM 0 HA3 GLY A 19 -3.758 6.583 -5.004 1.00 75.22 H new ATOM 256 N ASP A 20 -2.572 5.977 -7.053 1.00 63.34 N ATOM 257 CA ASP A 20 -1.782 5.646 -8.223 1.00 40.43 C ATOM 258 C ASP A 20 -0.907 4.437 -7.986 1.00 34.13 C ATOM 259 O ASP A 20 -0.113 4.402 -7.047 1.00 13.11 O ATOM 260 CB ASP A 20 -0.957 6.864 -8.651 1.00 40.13 C ATOM 261 CG ASP A 20 -0.018 6.619 -9.812 1.00 70.54 C ATOM 262 OD1 ASP A 20 -0.483 6.472 -10.963 1.00 5.23 O ATOM 263 OD2 ASP A 20 1.200 6.662 -9.622 1.00 31.41 O ATOM 0 H ASP A 20 -2.064 6.528 -6.361 1.00 63.34 H new ATOM 0 HA ASP A 20 -2.461 5.382 -9.034 1.00 40.43 H new ATOM 0 HB2 ASP A 20 -1.639 7.671 -8.918 1.00 40.13 H new ATOM 0 HB3 ASP A 20 -0.374 7.208 -7.797 1.00 40.13 H new ATOM 268 N ASP A 21 -1.082 3.444 -8.838 1.00 43.22 N ATOM 269 CA ASP A 21 -0.345 2.188 -8.753 1.00 2.53 C ATOM 270 C ASP A 21 1.120 2.424 -9.134 1.00 14.44 C ATOM 271 O ASP A 21 1.421 2.978 -10.216 1.00 1.24 O ATOM 272 CB ASP A 21 -0.995 1.128 -9.669 1.00 0.44 C ATOM 273 CG ASP A 21 -0.378 -0.262 -9.558 1.00 1.00 C ATOM 274 OD1 ASP A 21 0.601 -0.441 -8.829 1.00 51.22 O ATOM 275 OD2 ASP A 21 -0.886 -1.205 -10.239 1.00 12.13 O ATOM 0 H ASP A 21 -1.742 3.482 -9.614 1.00 43.22 H new ATOM 0 HA ASP A 21 -0.379 1.814 -7.730 1.00 2.53 H new ATOM 0 HB2 ASP A 21 -2.057 1.061 -9.431 1.00 0.44 H new ATOM 0 HB3 ASP A 21 -0.921 1.464 -10.703 1.00 0.44 H new ATOM 280 N VAL A 22 2.012 2.021 -8.256 1.00 20.34 N ATOM 281 CA VAL A 22 3.438 2.256 -8.413 1.00 21.34 C ATOM 282 C VAL A 22 4.161 1.009 -8.938 1.00 42.41 C ATOM 283 O VAL A 22 5.246 1.111 -9.527 1.00 45.23 O ATOM 284 CB VAL A 22 4.077 2.765 -7.066 1.00 73.11 C ATOM 285 CG1 VAL A 22 5.591 2.955 -7.168 1.00 3.52 C ATOM 286 CG2 VAL A 22 3.439 4.083 -6.655 1.00 52.01 C ATOM 0 H VAL A 22 1.770 1.516 -7.404 1.00 20.34 H new ATOM 0 HA VAL A 22 3.563 3.040 -9.160 1.00 21.34 H new ATOM 0 HB VAL A 22 3.887 1.997 -6.316 1.00 73.11 H new ATOM 0 HG11 VAL A 22 5.979 3.307 -6.212 1.00 3.52 H new ATOM 0 HG12 VAL A 22 6.061 2.005 -7.423 1.00 3.52 H new ATOM 0 HG13 VAL A 22 5.814 3.689 -7.942 1.00 3.52 H new ATOM 0 HG21 VAL A 22 3.886 4.429 -5.723 1.00 52.01 H new ATOM 0 HG22 VAL A 22 3.605 4.826 -7.435 1.00 52.01 H new ATOM 0 HG23 VAL A 22 2.368 3.940 -6.513 1.00 52.01 H new ATOM 296 N LEU A 23 3.555 -0.141 -8.794 1.00 1.44 N ATOM 297 CA LEU A 23 4.210 -1.351 -9.228 1.00 1.14 C ATOM 298 C LEU A 23 3.724 -1.796 -10.602 1.00 61.24 C ATOM 299 O LEU A 23 2.860 -1.147 -11.210 1.00 15.15 O ATOM 300 CB LEU A 23 4.200 -2.485 -8.140 1.00 24.42 C ATOM 301 CG LEU A 23 2.876 -2.820 -7.408 1.00 14.41 C ATOM 302 CD1 LEU A 23 1.812 -3.277 -8.356 1.00 43.03 C ATOM 303 CD2 LEU A 23 3.101 -3.892 -6.362 1.00 10.22 C ATOM 0 H LEU A 23 2.628 -0.267 -8.388 1.00 1.44 H new ATOM 0 HA LEU A 23 5.267 -1.114 -9.352 1.00 1.14 H new ATOM 0 HB2 LEU A 23 4.552 -3.400 -8.617 1.00 24.42 H new ATOM 0 HB3 LEU A 23 4.936 -2.218 -7.381 1.00 24.42 H new ATOM 0 HG LEU A 23 2.539 -1.901 -6.929 1.00 14.41 H new ATOM 0 HD11 LEU A 23 0.901 -3.501 -7.800 1.00 43.03 H new ATOM 0 HD12 LEU A 23 1.609 -2.490 -9.082 1.00 43.03 H new ATOM 0 HD13 LEU A 23 2.149 -4.173 -8.877 1.00 43.03 H new ATOM 0 HD21 LEU A 23 2.159 -4.113 -5.859 1.00 10.22 H new ATOM 0 HD22 LEU A 23 3.477 -4.796 -6.842 1.00 10.22 H new ATOM 0 HD23 LEU A 23 3.829 -3.540 -5.631 1.00 10.22 H new ATOM 315 N ASP A 24 4.313 -2.838 -11.123 1.00 13.43 N ATOM 316 CA ASP A 24 3.927 -3.356 -12.429 1.00 41.31 C ATOM 317 C ASP A 24 2.721 -4.253 -12.290 1.00 33.25 C ATOM 318 O ASP A 24 2.529 -4.866 -11.243 1.00 0.44 O ATOM 319 CB ASP A 24 5.072 -4.131 -13.114 1.00 4.32 C ATOM 320 CG ASP A 24 6.257 -3.274 -13.475 1.00 53.54 C ATOM 321 OD1 ASP A 24 6.207 -2.575 -14.491 1.00 71.53 O ATOM 322 OD2 ASP A 24 7.276 -3.306 -12.751 1.00 3.21 O ATOM 0 H ASP A 24 5.067 -3.354 -10.669 1.00 13.43 H new ATOM 0 HA ASP A 24 3.687 -2.499 -13.059 1.00 41.31 H new ATOM 0 HB2 ASP A 24 5.403 -4.932 -12.452 1.00 4.32 H new ATOM 0 HB3 ASP A 24 4.688 -4.603 -14.018 1.00 4.32 H new ATOM 327 N PRO A 25 1.878 -4.357 -13.327 1.00 41.44 N ATOM 328 CA PRO A 25 0.693 -5.226 -13.300 1.00 74.02 C ATOM 329 C PRO A 25 1.056 -6.699 -13.127 1.00 14.23 C ATOM 330 O PRO A 25 0.242 -7.502 -12.664 1.00 62.42 O ATOM 331 CB PRO A 25 0.047 -5.004 -14.667 1.00 51.03 C ATOM 332 CG PRO A 25 0.574 -3.691 -15.126 1.00 75.05 C ATOM 333 CD PRO A 25 1.966 -3.608 -14.599 1.00 31.11 C ATOM 0 HA PRO A 25 0.041 -4.986 -12.460 1.00 74.02 H new ATOM 0 HB2 PRO A 25 0.309 -5.801 -15.363 1.00 51.03 H new ATOM 0 HB3 PRO A 25 -1.040 -4.990 -14.593 1.00 51.03 H new ATOM 0 HG2 PRO A 25 0.563 -3.623 -16.214 1.00 75.05 H new ATOM 0 HG3 PRO A 25 -0.037 -2.871 -14.749 1.00 75.05 H new ATOM 0 HD2 PRO A 25 2.686 -4.057 -15.284 1.00 31.11 H new ATOM 0 HD3 PRO A 25 2.278 -2.576 -14.440 1.00 31.11 H new ATOM 341 N ASP A 26 2.290 -7.036 -13.478 1.00 13.22 N ATOM 342 CA ASP A 26 2.780 -8.407 -13.390 1.00 51.20 C ATOM 343 C ASP A 26 3.273 -8.714 -11.981 1.00 24.34 C ATOM 344 O ASP A 26 3.590 -9.862 -11.661 1.00 23.24 O ATOM 345 CB ASP A 26 3.911 -8.654 -14.391 1.00 52.42 C ATOM 346 CG ASP A 26 3.548 -8.316 -15.811 1.00 15.32 C ATOM 347 OD1 ASP A 26 2.778 -9.068 -16.450 1.00 13.55 O ATOM 348 OD2 ASP A 26 4.013 -7.272 -16.303 1.00 54.15 O ATOM 0 H ASP A 26 2.978 -6.370 -13.830 1.00 13.22 H new ATOM 0 HA ASP A 26 1.948 -9.068 -13.631 1.00 51.20 H new ATOM 0 HB2 ASP A 26 4.779 -8.064 -14.097 1.00 52.42 H new ATOM 0 HB3 ASP A 26 4.206 -9.702 -14.341 1.00 52.42 H new ATOM 353 N GLU A 27 3.343 -7.691 -11.143 1.00 74.31 N ATOM 354 CA GLU A 27 3.743 -7.860 -9.756 1.00 72.32 C ATOM 355 C GLU A 27 2.591 -8.453 -8.964 1.00 54.21 C ATOM 356 O GLU A 27 1.433 -8.310 -9.368 1.00 61.10 O ATOM 357 CB GLU A 27 4.184 -6.523 -9.147 1.00 11.15 C ATOM 358 CG GLU A 27 5.490 -6.005 -9.698 1.00 62.42 C ATOM 359 CD GLU A 27 6.639 -6.931 -9.408 1.00 14.12 C ATOM 360 OE1 GLU A 27 6.920 -7.822 -10.228 1.00 72.31 O ATOM 361 OE2 GLU A 27 7.301 -6.763 -8.364 1.00 41.42 O ATOM 0 H GLU A 27 3.126 -6.729 -11.403 1.00 74.31 H new ATOM 0 HA GLU A 27 4.593 -8.541 -9.715 1.00 72.32 H new ATOM 0 HB2 GLU A 27 3.406 -5.780 -9.323 1.00 11.15 H new ATOM 0 HB3 GLU A 27 4.276 -6.639 -8.067 1.00 11.15 H new ATOM 0 HG2 GLU A 27 5.399 -5.869 -10.776 1.00 62.42 H new ATOM 0 HG3 GLU A 27 5.699 -5.025 -9.270 1.00 62.42 H new ATOM 368 N PRO A 28 2.881 -9.145 -7.851 1.00 30.54 N ATOM 369 CA PRO A 28 1.861 -9.786 -7.029 1.00 61.52 C ATOM 370 C PRO A 28 0.818 -8.794 -6.493 1.00 14.34 C ATOM 371 O PRO A 28 1.114 -7.920 -5.648 1.00 22.41 O ATOM 372 CB PRO A 28 2.666 -10.430 -5.884 1.00 42.10 C ATOM 373 CG PRO A 28 3.948 -9.692 -5.868 1.00 63.44 C ATOM 374 CD PRO A 28 4.229 -9.363 -7.296 1.00 41.14 C ATOM 0 HA PRO A 28 1.275 -10.506 -7.600 1.00 61.52 H new ATOM 0 HB2 PRO A 28 2.144 -10.338 -4.932 1.00 42.10 H new ATOM 0 HB3 PRO A 28 2.823 -11.494 -6.060 1.00 42.10 H new ATOM 0 HG2 PRO A 28 3.874 -8.788 -5.263 1.00 63.44 H new ATOM 0 HG3 PRO A 28 4.746 -10.298 -5.439 1.00 63.44 H new ATOM 0 HD2 PRO A 28 4.854 -8.475 -7.391 1.00 41.14 H new ATOM 0 HD3 PRO A 28 4.749 -10.175 -7.804 1.00 41.14 H new ATOM 382 N THR A 29 -0.384 -8.910 -6.989 1.00 33.34 N ATOM 383 CA THR A 29 -1.463 -8.058 -6.586 1.00 42.20 C ATOM 384 C THR A 29 -2.722 -8.856 -6.290 1.00 21.53 C ATOM 385 O THR A 29 -2.803 -10.050 -6.580 1.00 32.25 O ATOM 386 CB THR A 29 -1.744 -6.962 -7.644 1.00 73.11 C ATOM 387 OG1 THR A 29 -1.640 -7.511 -8.973 1.00 74.41 O ATOM 388 CG2 THR A 29 -0.791 -5.791 -7.483 1.00 31.42 C ATOM 0 H THR A 29 -0.641 -9.605 -7.690 1.00 33.34 H new ATOM 0 HA THR A 29 -1.155 -7.564 -5.664 1.00 42.20 H new ATOM 0 HB THR A 29 -2.759 -6.597 -7.491 1.00 73.11 H new ATOM 0 HG1 THR A 29 -0.698 -7.684 -9.183 1.00 74.41 H new ATOM 0 HG21 THR A 29 -1.011 -5.037 -8.238 1.00 31.42 H new ATOM 0 HG22 THR A 29 -0.912 -5.357 -6.491 1.00 31.42 H new ATOM 0 HG23 THR A 29 0.235 -6.138 -7.604 1.00 31.42 H new ATOM 396 N TYR A 30 -3.657 -8.200 -5.683 1.00 31.45 N ATOM 397 CA TYR A 30 -4.934 -8.728 -5.334 1.00 70.43 C ATOM 398 C TYR A 30 -5.987 -7.804 -5.834 1.00 3.31 C ATOM 399 O TYR A 30 -5.716 -6.645 -6.099 1.00 53.21 O ATOM 400 CB TYR A 30 -5.100 -8.972 -3.835 1.00 34.44 C ATOM 401 CG TYR A 30 -4.366 -10.182 -3.311 1.00 73.13 C ATOM 402 CD1 TYR A 30 -4.497 -11.414 -3.935 1.00 71.03 C ATOM 403 CD2 TYR A 30 -3.553 -10.096 -2.200 1.00 33.44 C ATOM 404 CE1 TYR A 30 -3.837 -12.525 -3.467 1.00 62.33 C ATOM 405 CE2 TYR A 30 -2.886 -11.203 -1.722 1.00 74.34 C ATOM 406 CZ TYR A 30 -3.033 -12.418 -2.365 1.00 22.42 C ATOM 407 OH TYR A 30 -2.367 -13.524 -1.903 1.00 75.20 O ATOM 0 H TYR A 30 -3.542 -7.226 -5.402 1.00 31.45 H new ATOM 0 HA TYR A 30 -5.027 -9.707 -5.805 1.00 70.43 H new ATOM 0 HB2 TYR A 30 -4.752 -8.091 -3.296 1.00 34.44 H new ATOM 0 HB3 TYR A 30 -6.161 -9.083 -3.614 1.00 34.44 H new ATOM 0 HD1 TYR A 30 -5.130 -11.502 -4.806 1.00 71.03 H new ATOM 0 HD2 TYR A 30 -3.438 -9.147 -1.697 1.00 33.44 H new ATOM 0 HE1 TYR A 30 -3.952 -13.476 -3.966 1.00 62.33 H new ATOM 0 HE2 TYR A 30 -2.253 -11.122 -0.851 1.00 74.34 H new ATOM 0 HH TYR A 30 -1.838 -13.282 -1.115 1.00 75.20 H new ATOM 417 N ASP A 31 -7.164 -8.300 -5.926 1.00 51.42 N ATOM 418 CA ASP A 31 -8.289 -7.600 -6.489 1.00 73.04 C ATOM 419 C ASP A 31 -9.396 -7.835 -5.516 1.00 73.43 C ATOM 420 O ASP A 31 -9.292 -8.772 -4.725 1.00 73.10 O ATOM 421 CB ASP A 31 -8.694 -8.235 -7.846 1.00 65.51 C ATOM 422 CG ASP A 31 -7.614 -8.206 -8.921 1.00 61.04 C ATOM 423 OD1 ASP A 31 -6.634 -8.993 -8.827 1.00 3.33 O ATOM 424 OD2 ASP A 31 -7.739 -7.424 -9.904 1.00 2.22 O ATOM 0 H ASP A 31 -7.394 -9.240 -5.603 1.00 51.42 H new ATOM 0 HA ASP A 31 -8.068 -6.546 -6.658 1.00 73.04 H new ATOM 0 HB2 ASP A 31 -8.984 -9.271 -7.672 1.00 65.51 H new ATOM 0 HB3 ASP A 31 -9.575 -7.716 -8.224 1.00 65.51 H new ATOM 429 N LEU A 32 -10.430 -7.021 -5.556 1.00 24.24 N ATOM 430 CA LEU A 32 -11.528 -7.072 -4.570 1.00 22.23 C ATOM 431 C LEU A 32 -12.066 -8.508 -4.301 1.00 40.23 C ATOM 432 O LEU A 32 -12.022 -8.969 -3.151 1.00 51.32 O ATOM 433 CB LEU A 32 -12.655 -6.077 -4.922 1.00 21.11 C ATOM 434 CG LEU A 32 -12.262 -4.590 -4.952 1.00 42.53 C ATOM 435 CD1 LEU A 32 -13.451 -3.730 -5.344 1.00 44.51 C ATOM 436 CD2 LEU A 32 -11.708 -4.144 -3.602 1.00 62.24 C ATOM 0 H LEU A 32 -10.548 -6.299 -6.267 1.00 24.24 H new ATOM 0 HA LEU A 32 -11.093 -6.753 -3.623 1.00 22.23 H new ATOM 0 HB2 LEU A 32 -13.056 -6.345 -5.899 1.00 21.11 H new ATOM 0 HB3 LEU A 32 -13.462 -6.204 -4.200 1.00 21.11 H new ATOM 0 HG LEU A 32 -11.480 -4.465 -5.701 1.00 42.53 H new ATOM 0 HD11 LEU A 32 -13.153 -2.682 -5.359 1.00 44.51 H new ATOM 0 HD12 LEU A 32 -13.801 -4.022 -6.334 1.00 44.51 H new ATOM 0 HD13 LEU A 32 -14.254 -3.868 -4.620 1.00 44.51 H new ATOM 0 HD21 LEU A 32 -11.438 -3.089 -3.650 1.00 62.24 H new ATOM 0 HD22 LEU A 32 -12.465 -4.290 -2.832 1.00 62.24 H new ATOM 0 HD23 LEU A 32 -10.824 -4.734 -3.358 1.00 62.24 H new ATOM 448 N PRO A 33 -12.531 -9.267 -5.334 1.00 52.44 N ATOM 449 CA PRO A 33 -13.008 -10.636 -5.117 1.00 74.24 C ATOM 450 C PRO A 33 -11.873 -11.587 -4.687 1.00 70.12 C ATOM 451 O PRO A 33 -12.102 -12.544 -3.948 1.00 71.14 O ATOM 452 CB PRO A 33 -13.568 -11.050 -6.484 1.00 41.41 C ATOM 453 CG PRO A 33 -12.869 -10.169 -7.457 1.00 75.51 C ATOM 454 CD PRO A 33 -12.675 -8.865 -6.757 1.00 13.31 C ATOM 0 HA PRO A 33 -13.744 -10.686 -4.314 1.00 74.24 H new ATOM 0 HB2 PRO A 33 -13.373 -12.102 -6.690 1.00 41.41 H new ATOM 0 HB3 PRO A 33 -14.648 -10.912 -6.529 1.00 41.41 H new ATOM 0 HG2 PRO A 33 -11.913 -10.598 -7.757 1.00 75.51 H new ATOM 0 HG3 PRO A 33 -13.460 -10.042 -8.364 1.00 75.51 H new ATOM 0 HD2 PRO A 33 -11.791 -8.340 -7.119 1.00 13.31 H new ATOM 0 HD3 PRO A 33 -13.524 -8.198 -6.904 1.00 13.31 H new ATOM 462 N ARG A 34 -10.651 -11.299 -5.134 1.00 71.54 N ATOM 463 CA ARG A 34 -9.502 -12.131 -4.841 1.00 21.25 C ATOM 464 C ARG A 34 -9.111 -12.007 -3.364 1.00 61.22 C ATOM 465 O ARG A 34 -8.725 -12.981 -2.735 1.00 21.14 O ATOM 466 CB ARG A 34 -8.328 -11.738 -5.726 1.00 71.43 C ATOM 467 CG ARG A 34 -7.287 -12.822 -5.901 1.00 63.13 C ATOM 468 CD ARG A 34 -7.855 -13.963 -6.715 1.00 43.10 C ATOM 469 NE ARG A 34 -6.852 -14.981 -7.034 1.00 75.24 N ATOM 470 CZ ARG A 34 -6.906 -15.810 -8.087 1.00 25.42 C ATOM 471 NH1 ARG A 34 -7.810 -15.615 -9.047 1.00 41.43 N ATOM 472 NH2 ARG A 34 -6.008 -16.783 -8.208 1.00 35.11 N ATOM 0 H ARG A 34 -10.438 -10.483 -5.707 1.00 71.54 H new ATOM 0 HA ARG A 34 -9.767 -13.168 -5.045 1.00 21.25 H new ATOM 0 HB2 ARG A 34 -8.708 -11.454 -6.707 1.00 71.43 H new ATOM 0 HB3 ARG A 34 -7.848 -10.856 -5.302 1.00 71.43 H new ATOM 0 HG2 ARG A 34 -6.406 -12.414 -6.397 1.00 63.13 H new ATOM 0 HG3 ARG A 34 -6.963 -13.187 -4.926 1.00 63.13 H new ATOM 0 HD2 ARG A 34 -8.674 -14.425 -6.164 1.00 43.10 H new ATOM 0 HD3 ARG A 34 -8.276 -13.570 -7.641 1.00 43.10 H new ATOM 0 HE ARG A 34 -6.051 -15.066 -6.408 1.00 75.24 H new ATOM 0 HH11 ARG A 34 -8.463 -14.834 -8.982 1.00 41.43 H new ATOM 0 HH12 ARG A 34 -7.849 -16.247 -9.847 1.00 41.43 H new ATOM 0 HH21 ARG A 34 -5.281 -16.897 -7.501 1.00 35.11 H new ATOM 0 HH22 ARG A 34 -6.046 -17.415 -9.007 1.00 35.11 H new ATOM 486 N VAL A 35 -9.220 -10.799 -2.814 1.00 23.54 N ATOM 487 CA VAL A 35 -8.898 -10.576 -1.399 1.00 32.24 C ATOM 488 C VAL A 35 -9.943 -11.261 -0.548 1.00 4.41 C ATOM 489 O VAL A 35 -9.628 -11.914 0.458 1.00 74.54 O ATOM 490 CB VAL A 35 -8.838 -9.069 -1.010 1.00 63.44 C ATOM 491 CG1 VAL A 35 -8.426 -8.891 0.448 1.00 60.21 C ATOM 492 CG2 VAL A 35 -7.891 -8.310 -1.902 1.00 72.30 C ATOM 0 H VAL A 35 -9.525 -9.966 -3.317 1.00 23.54 H new ATOM 0 HA VAL A 35 -7.904 -10.989 -1.227 1.00 32.24 H new ATOM 0 HB VAL A 35 -9.841 -8.664 -1.143 1.00 63.44 H new ATOM 0 HG11 VAL A 35 -8.393 -7.829 0.690 1.00 60.21 H new ATOM 0 HG12 VAL A 35 -9.150 -9.388 1.094 1.00 60.21 H new ATOM 0 HG13 VAL A 35 -7.440 -9.329 0.604 1.00 60.21 H new ATOM 0 HG21 VAL A 35 -7.872 -7.262 -1.604 1.00 72.30 H new ATOM 0 HG22 VAL A 35 -6.890 -8.731 -1.812 1.00 72.30 H new ATOM 0 HG23 VAL A 35 -8.225 -8.387 -2.937 1.00 72.30 H new ATOM 502 N ALA A 36 -11.181 -11.145 -0.988 1.00 5.51 N ATOM 503 CA ALA A 36 -12.295 -11.780 -0.330 1.00 25.33 C ATOM 504 C ALA A 36 -12.091 -13.286 -0.329 1.00 54.13 C ATOM 505 O ALA A 36 -12.371 -13.968 0.656 1.00 25.10 O ATOM 506 CB ALA A 36 -13.591 -11.419 -1.040 1.00 11.45 C ATOM 0 H ALA A 36 -11.438 -10.605 -1.814 1.00 5.51 H new ATOM 0 HA ALA A 36 -12.357 -11.430 0.701 1.00 25.33 H new ATOM 0 HB1 ALA A 36 -14.428 -11.903 -0.537 1.00 11.45 H new ATOM 0 HB2 ALA A 36 -13.729 -10.338 -1.017 1.00 11.45 H new ATOM 0 HB3 ALA A 36 -13.545 -11.757 -2.075 1.00 11.45 H new ATOM 512 N GLU A 37 -11.543 -13.775 -1.423 1.00 32.52 N ATOM 513 CA GLU A 37 -11.277 -15.172 -1.605 1.00 3.52 C ATOM 514 C GLU A 37 -10.165 -15.624 -0.655 1.00 60.11 C ATOM 515 O GLU A 37 -10.295 -16.642 0.032 1.00 14.34 O ATOM 516 CB GLU A 37 -10.827 -15.405 -3.039 1.00 5.24 C ATOM 517 CG GLU A 37 -11.006 -16.829 -3.501 1.00 4.52 C ATOM 518 CD GLU A 37 -12.450 -17.242 -3.421 1.00 61.31 C ATOM 519 OE1 GLU A 37 -13.210 -16.978 -4.381 1.00 43.21 O ATOM 520 OE2 GLU A 37 -12.867 -17.807 -2.404 1.00 43.40 O ATOM 0 H GLU A 37 -11.269 -13.197 -2.218 1.00 32.52 H new ATOM 0 HA GLU A 37 -12.182 -15.741 -1.394 1.00 3.52 H new ATOM 0 HB2 GLU A 37 -11.388 -14.744 -3.700 1.00 5.24 H new ATOM 0 HB3 GLU A 37 -9.776 -15.131 -3.131 1.00 5.24 H new ATOM 0 HG2 GLU A 37 -10.651 -16.930 -4.527 1.00 4.52 H new ATOM 0 HG3 GLU A 37 -10.399 -17.494 -2.887 1.00 4.52 H new ATOM 527 N LEU A 38 -9.115 -14.824 -0.595 1.00 23.13 N ATOM 528 CA LEU A 38 -7.933 -15.100 0.209 1.00 34.13 C ATOM 529 C LEU A 38 -8.267 -15.140 1.694 1.00 13.11 C ATOM 530 O LEU A 38 -7.949 -16.105 2.396 1.00 51.00 O ATOM 531 CB LEU A 38 -6.892 -14.000 -0.037 1.00 45.12 C ATOM 532 CG LEU A 38 -5.576 -14.116 0.735 1.00 4.23 C ATOM 533 CD1 LEU A 38 -4.740 -15.280 0.226 1.00 61.03 C ATOM 534 CD2 LEU A 38 -4.804 -12.814 0.670 1.00 72.33 C ATOM 0 H LEU A 38 -9.057 -13.947 -1.113 1.00 23.13 H new ATOM 0 HA LEU A 38 -7.542 -16.075 -0.082 1.00 34.13 H new ATOM 0 HB2 LEU A 38 -6.661 -13.981 -1.102 1.00 45.12 H new ATOM 0 HB3 LEU A 38 -7.347 -13.040 0.207 1.00 45.12 H new ATOM 0 HG LEU A 38 -5.812 -14.317 1.780 1.00 4.23 H new ATOM 0 HD11 LEU A 38 -3.811 -15.337 0.794 1.00 61.03 H new ATOM 0 HD12 LEU A 38 -5.297 -16.209 0.348 1.00 61.03 H new ATOM 0 HD13 LEU A 38 -4.511 -15.130 -0.829 1.00 61.03 H new ATOM 0 HD21 LEU A 38 -3.871 -12.916 1.225 1.00 72.33 H new ATOM 0 HD22 LEU A 38 -4.583 -12.573 -0.370 1.00 72.33 H new ATOM 0 HD23 LEU A 38 -5.401 -12.015 1.108 1.00 72.33 H new ATOM 546 N LEU A 39 -8.943 -14.114 2.156 1.00 64.21 N ATOM 547 CA LEU A 39 -9.237 -13.981 3.567 1.00 11.21 C ATOM 548 C LEU A 39 -10.475 -14.753 3.981 1.00 22.04 C ATOM 549 O LEU A 39 -10.683 -14.998 5.165 1.00 4.52 O ATOM 550 CB LEU A 39 -9.354 -12.506 3.959 1.00 31.31 C ATOM 551 CG LEU A 39 -8.095 -11.644 3.774 1.00 60.11 C ATOM 552 CD1 LEU A 39 -8.383 -10.201 4.156 1.00 61.45 C ATOM 553 CD2 LEU A 39 -6.931 -12.188 4.597 1.00 4.03 C ATOM 0 H LEU A 39 -9.301 -13.356 1.575 1.00 64.21 H new ATOM 0 HA LEU A 39 -8.400 -14.421 4.108 1.00 11.21 H new ATOM 0 HB2 LEU A 39 -10.160 -12.061 3.376 1.00 31.31 H new ATOM 0 HB3 LEU A 39 -9.652 -12.454 5.006 1.00 31.31 H new ATOM 0 HG LEU A 39 -7.811 -11.681 2.722 1.00 60.11 H new ATOM 0 HD11 LEU A 39 -7.483 -9.602 4.020 1.00 61.45 H new ATOM 0 HD12 LEU A 39 -9.179 -9.809 3.523 1.00 61.45 H new ATOM 0 HD13 LEU A 39 -8.695 -10.156 5.200 1.00 61.45 H new ATOM 0 HD21 LEU A 39 -6.054 -11.559 4.447 1.00 4.03 H new ATOM 0 HD22 LEU A 39 -7.201 -12.188 5.653 1.00 4.03 H new ATOM 0 HD23 LEU A 39 -6.706 -13.206 4.280 1.00 4.03 H new ATOM 565 N GLY A 40 -11.292 -15.134 3.022 1.00 13.33 N ATOM 566 CA GLY A 40 -12.502 -15.869 3.340 1.00 70.22 C ATOM 567 C GLY A 40 -13.527 -14.963 3.968 1.00 2.24 C ATOM 568 O GLY A 40 -14.323 -15.380 4.815 1.00 24.24 O ATOM 0 H GLY A 40 -11.146 -14.951 2.029 1.00 13.33 H new ATOM 0 HA2 GLY A 40 -12.911 -16.315 2.433 1.00 70.22 H new ATOM 0 HA3 GLY A 40 -12.268 -16.688 4.021 1.00 70.22 H new ATOM 572 N VAL A 41 -13.479 -13.719 3.569 1.00 33.33 N ATOM 573 CA VAL A 41 -14.358 -12.702 4.085 1.00 73.31 C ATOM 574 C VAL A 41 -15.024 -12.025 2.905 1.00 1.24 C ATOM 575 O VAL A 41 -14.552 -12.176 1.788 1.00 23.13 O ATOM 576 CB VAL A 41 -13.577 -11.638 4.939 1.00 53.12 C ATOM 577 CG1 VAL A 41 -12.798 -12.298 6.067 1.00 31.42 C ATOM 578 CG2 VAL A 41 -12.657 -10.772 4.078 1.00 73.12 C ATOM 0 H VAL A 41 -12.820 -13.379 2.868 1.00 33.33 H new ATOM 0 HA VAL A 41 -15.096 -13.163 4.742 1.00 73.31 H new ATOM 0 HB VAL A 41 -14.324 -10.979 5.381 1.00 53.12 H new ATOM 0 HG11 VAL A 41 -12.269 -11.535 6.639 1.00 31.42 H new ATOM 0 HG12 VAL A 41 -13.487 -12.830 6.723 1.00 31.42 H new ATOM 0 HG13 VAL A 41 -12.079 -13.002 5.649 1.00 31.42 H new ATOM 0 HG21 VAL A 41 -12.138 -10.052 4.711 1.00 73.12 H new ATOM 0 HG22 VAL A 41 -11.926 -11.406 3.575 1.00 73.12 H new ATOM 0 HG23 VAL A 41 -13.250 -10.240 3.333 1.00 73.12 H new ATOM 588 N PRO A 42 -16.141 -11.331 3.092 1.00 54.31 N ATOM 589 CA PRO A 42 -16.782 -10.599 2.003 1.00 11.12 C ATOM 590 C PRO A 42 -15.966 -9.368 1.595 1.00 4.42 C ATOM 591 O PRO A 42 -15.157 -8.840 2.389 1.00 5.44 O ATOM 592 CB PRO A 42 -18.117 -10.160 2.610 1.00 12.12 C ATOM 593 CG PRO A 42 -17.849 -10.101 4.072 1.00 4.30 C ATOM 594 CD PRO A 42 -16.905 -11.225 4.353 1.00 33.13 C ATOM 0 HA PRO A 42 -16.884 -11.204 1.102 1.00 11.12 H new ATOM 0 HB2 PRO A 42 -18.431 -9.191 2.223 1.00 12.12 H new ATOM 0 HB3 PRO A 42 -18.912 -10.869 2.379 1.00 12.12 H new ATOM 0 HG2 PRO A 42 -17.412 -9.143 4.352 1.00 4.30 H new ATOM 0 HG3 PRO A 42 -18.770 -10.210 4.644 1.00 4.30 H new ATOM 0 HD2 PRO A 42 -16.257 -11.007 5.202 1.00 33.13 H new ATOM 0 HD3 PRO A 42 -17.434 -12.149 4.585 1.00 33.13 H new ATOM 602 N VAL A 43 -16.210 -8.888 0.382 1.00 25.32 N ATOM 603 CA VAL A 43 -15.549 -7.692 -0.153 1.00 70.25 C ATOM 604 C VAL A 43 -15.892 -6.509 0.731 1.00 13.31 C ATOM 605 O VAL A 43 -15.086 -5.607 0.941 1.00 14.34 O ATOM 606 CB VAL A 43 -15.998 -7.394 -1.607 1.00 41.41 C ATOM 607 CG1 VAL A 43 -15.277 -6.177 -2.178 1.00 33.42 C ATOM 608 CG2 VAL A 43 -15.771 -8.601 -2.485 1.00 64.24 C ATOM 0 H VAL A 43 -16.873 -9.315 -0.265 1.00 25.32 H new ATOM 0 HA VAL A 43 -14.473 -7.867 -0.164 1.00 70.25 H new ATOM 0 HB VAL A 43 -17.064 -7.168 -1.586 1.00 41.41 H new ATOM 0 HG11 VAL A 43 -15.617 -5.998 -3.198 1.00 33.42 H new ATOM 0 HG12 VAL A 43 -15.496 -5.303 -1.564 1.00 33.42 H new ATOM 0 HG13 VAL A 43 -14.202 -6.359 -2.180 1.00 33.42 H new ATOM 0 HG21 VAL A 43 -16.091 -8.376 -3.502 1.00 64.24 H new ATOM 0 HG22 VAL A 43 -14.711 -8.856 -2.486 1.00 64.24 H new ATOM 0 HG23 VAL A 43 -16.347 -9.443 -2.101 1.00 64.24 H new ATOM 618 N SER A 44 -17.088 -6.556 1.268 1.00 53.04 N ATOM 619 CA SER A 44 -17.595 -5.566 2.166 1.00 43.23 C ATOM 620 C SER A 44 -16.662 -5.414 3.402 1.00 51.44 C ATOM 621 O SER A 44 -16.369 -4.292 3.826 1.00 11.35 O ATOM 622 CB SER A 44 -18.972 -6.027 2.592 1.00 32.10 C ATOM 623 OG SER A 44 -19.733 -6.416 1.455 1.00 44.13 O ATOM 0 H SER A 44 -17.749 -7.310 1.081 1.00 53.04 H new ATOM 0 HA SER A 44 -17.643 -4.591 1.681 1.00 43.23 H new ATOM 0 HB2 SER A 44 -18.885 -6.864 3.284 1.00 32.10 H new ATOM 0 HB3 SER A 44 -19.484 -5.225 3.124 1.00 32.10 H new ATOM 0 HG SER A 44 -20.621 -6.714 1.742 1.00 44.13 H new ATOM 629 N LYS A 45 -16.161 -6.547 3.938 1.00 11.44 N ATOM 630 CA LYS A 45 -15.270 -6.516 5.098 1.00 64.15 C ATOM 631 C LYS A 45 -13.921 -5.934 4.689 1.00 74.24 C ATOM 632 O LYS A 45 -13.289 -5.202 5.442 1.00 43.04 O ATOM 633 CB LYS A 45 -15.081 -7.906 5.716 1.00 50.22 C ATOM 634 CG LYS A 45 -14.476 -7.870 7.114 1.00 2.22 C ATOM 635 CD LYS A 45 -14.287 -9.264 7.681 1.00 75.22 C ATOM 636 CE LYS A 45 -13.824 -9.227 9.135 1.00 45.30 C ATOM 637 NZ LYS A 45 -12.559 -8.483 9.305 1.00 71.43 N ATOM 0 H LYS A 45 -16.361 -7.482 3.584 1.00 11.44 H new ATOM 0 HA LYS A 45 -15.731 -5.885 5.858 1.00 64.15 H new ATOM 0 HB2 LYS A 45 -16.046 -8.411 5.759 1.00 50.22 H new ATOM 0 HB3 LYS A 45 -14.439 -8.500 5.066 1.00 50.22 H new ATOM 0 HG2 LYS A 45 -13.515 -7.357 7.081 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -15.122 -7.293 7.775 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -15.225 -9.815 7.612 1.00 75.22 H new ATOM 0 HD3 LYS A 45 -13.556 -9.805 7.080 1.00 75.22 H new ATOM 0 HE2 LYS A 45 -14.598 -8.766 9.748 1.00 45.30 H new ATOM 0 HE3 LYS A 45 -13.694 -10.247 9.498 1.00 45.30 H new ATOM 0 HZ1 LYS A 45 -12.225 -8.586 10.284 1.00 71.43 H new ATOM 0 HZ2 LYS A 45 -11.843 -8.862 8.653 1.00 71.43 H new ATOM 0 HZ3 LYS A 45 -12.718 -7.476 9.097 1.00 71.43 H new ATOM 651 N VAL A 46 -13.503 -6.255 3.472 1.00 31.43 N ATOM 652 CA VAL A 46 -12.260 -5.724 2.906 1.00 40.45 C ATOM 653 C VAL A 46 -12.376 -4.202 2.782 1.00 42.30 C ATOM 654 O VAL A 46 -11.444 -3.451 3.092 1.00 21.42 O ATOM 655 CB VAL A 46 -11.969 -6.334 1.507 1.00 41.32 C ATOM 656 CG1 VAL A 46 -10.674 -5.782 0.928 1.00 71.21 C ATOM 657 CG2 VAL A 46 -11.919 -7.854 1.575 1.00 1.41 C ATOM 0 H VAL A 46 -14.008 -6.886 2.849 1.00 31.43 H new ATOM 0 HA VAL A 46 -11.438 -5.991 3.570 1.00 40.45 H new ATOM 0 HB VAL A 46 -12.786 -6.049 0.844 1.00 41.32 H new ATOM 0 HG11 VAL A 46 -10.495 -6.226 -0.051 1.00 71.21 H new ATOM 0 HG12 VAL A 46 -10.753 -4.700 0.827 1.00 71.21 H new ATOM 0 HG13 VAL A 46 -9.845 -6.025 1.593 1.00 71.21 H new ATOM 0 HG21 VAL A 46 -11.714 -8.256 0.583 1.00 1.41 H new ATOM 0 HG22 VAL A 46 -11.130 -8.162 2.261 1.00 1.41 H new ATOM 0 HG23 VAL A 46 -12.877 -8.234 1.930 1.00 1.41 H new ATOM 667 N ALA A 47 -13.541 -3.768 2.362 1.00 34.23 N ATOM 668 CA ALA A 47 -13.859 -2.369 2.238 1.00 64.52 C ATOM 669 C ALA A 47 -13.823 -1.683 3.608 1.00 51.02 C ATOM 670 O ALA A 47 -13.403 -0.529 3.718 1.00 35.15 O ATOM 671 CB ALA A 47 -15.200 -2.184 1.550 1.00 21.40 C ATOM 0 H ALA A 47 -14.305 -4.388 2.093 1.00 34.23 H new ATOM 0 HA ALA A 47 -13.103 -1.893 1.614 1.00 64.52 H new ATOM 0 HB1 ALA A 47 -15.422 -1.120 1.466 1.00 21.40 H new ATOM 0 HB2 ALA A 47 -15.162 -2.627 0.555 1.00 21.40 H new ATOM 0 HB3 ALA A 47 -15.979 -2.672 2.135 1.00 21.40 H new ATOM 677 N GLN A 48 -14.244 -2.407 4.654 1.00 14.40 N ATOM 678 CA GLN A 48 -14.234 -1.876 6.029 1.00 13.40 C ATOM 679 C GLN A 48 -12.809 -1.543 6.426 1.00 4.24 C ATOM 680 O GLN A 48 -12.548 -0.504 7.025 1.00 63.33 O ATOM 681 CB GLN A 48 -14.775 -2.891 7.055 1.00 24.44 C ATOM 682 CG GLN A 48 -16.194 -3.380 6.829 1.00 1.23 C ATOM 683 CD GLN A 48 -17.222 -2.280 6.815 1.00 73.53 C ATOM 684 OE1 GLN A 48 -17.069 -1.234 7.457 1.00 61.05 O ATOM 685 NE2 GLN A 48 -18.291 -2.513 6.108 1.00 24.42 N ATOM 0 H GLN A 48 -14.596 -3.361 4.577 1.00 14.40 H new ATOM 0 HA GLN A 48 -14.876 -0.995 6.035 1.00 13.40 H new ATOM 0 HB2 GLN A 48 -14.112 -3.756 7.064 1.00 24.44 H new ATOM 0 HB3 GLN A 48 -14.722 -2.439 8.045 1.00 24.44 H new ATOM 0 HG2 GLN A 48 -16.237 -3.916 5.881 1.00 1.23 H new ATOM 0 HG3 GLN A 48 -16.451 -4.094 7.611 1.00 1.23 H new ATOM 0 HE21 GLN A 48 -18.380 -3.388 5.592 1.00 24.42 H new ATOM 0 HE22 GLN A 48 -19.039 -1.820 6.071 1.00 24.42 H new ATOM 694 N GLN A 49 -11.889 -2.426 6.049 1.00 33.54 N ATOM 695 CA GLN A 49 -10.468 -2.260 6.340 1.00 60.11 C ATOM 696 C GLN A 49 -9.977 -0.947 5.717 1.00 32.11 C ATOM 697 O GLN A 49 -9.343 -0.118 6.384 1.00 65.04 O ATOM 698 CB GLN A 49 -9.665 -3.441 5.753 1.00 74.12 C ATOM 699 CG GLN A 49 -10.185 -4.835 6.140 1.00 12.53 C ATOM 700 CD GLN A 49 -10.036 -5.189 7.611 1.00 62.23 C ATOM 701 OE1 GLN A 49 -10.040 -4.326 8.488 1.00 1.01 O ATOM 702 NE2 GLN A 49 -9.942 -6.468 7.889 1.00 0.32 N ATOM 0 H GLN A 49 -12.108 -3.278 5.532 1.00 33.54 H new ATOM 0 HA GLN A 49 -10.322 -2.235 7.420 1.00 60.11 H new ATOM 0 HB2 GLN A 49 -9.667 -3.358 4.666 1.00 74.12 H new ATOM 0 HB3 GLN A 49 -8.628 -3.353 6.078 1.00 74.12 H new ATOM 0 HG2 GLN A 49 -11.239 -4.901 5.871 1.00 12.53 H new ATOM 0 HG3 GLN A 49 -9.657 -5.581 5.547 1.00 12.53 H new ATOM 0 HE21 GLN A 49 -9.942 -7.155 7.135 1.00 0.32 H new ATOM 0 HE22 GLN A 49 -9.869 -6.775 8.859 1.00 0.32 H new ATOM 711 N LEU A 50 -10.342 -0.747 4.460 1.00 55.35 N ATOM 712 CA LEU A 50 -9.960 0.434 3.690 1.00 31.12 C ATOM 713 C LEU A 50 -10.565 1.712 4.308 1.00 51.54 C ATOM 714 O LEU A 50 -9.946 2.788 4.289 1.00 31.04 O ATOM 715 CB LEU A 50 -10.413 0.266 2.235 1.00 50.32 C ATOM 716 CG LEU A 50 -9.994 1.364 1.258 1.00 15.24 C ATOM 717 CD1 LEU A 50 -8.478 1.438 1.141 1.00 12.42 C ATOM 718 CD2 LEU A 50 -10.623 1.129 -0.100 1.00 52.03 C ATOM 0 H LEU A 50 -10.919 -1.406 3.937 1.00 55.35 H new ATOM 0 HA LEU A 50 -8.875 0.537 3.714 1.00 31.12 H new ATOM 0 HB2 LEU A 50 -10.028 -0.684 1.866 1.00 50.32 H new ATOM 0 HB3 LEU A 50 -11.501 0.195 2.223 1.00 50.32 H new ATOM 0 HG LEU A 50 -10.349 2.319 1.645 1.00 15.24 H new ATOM 0 HD11 LEU A 50 -8.205 2.227 0.440 1.00 12.42 H new ATOM 0 HD12 LEU A 50 -8.048 1.656 2.118 1.00 12.42 H new ATOM 0 HD13 LEU A 50 -8.094 0.484 0.781 1.00 12.42 H new ATOM 0 HD21 LEU A 50 -10.315 1.919 -0.785 1.00 52.03 H new ATOM 0 HD22 LEU A 50 -10.298 0.164 -0.489 1.00 52.03 H new ATOM 0 HD23 LEU A 50 -11.709 1.134 -0.004 1.00 52.03 H new ATOM 730 N ARG A 51 -11.763 1.582 4.870 1.00 52.21 N ATOM 731 CA ARG A 51 -12.414 2.698 5.545 1.00 31.40 C ATOM 732 C ARG A 51 -11.680 3.103 6.807 1.00 44.51 C ATOM 733 O ARG A 51 -11.611 4.286 7.130 1.00 43.32 O ATOM 734 CB ARG A 51 -13.893 2.423 5.872 1.00 31.03 C ATOM 735 CG ARG A 51 -14.894 2.932 4.841 1.00 72.00 C ATOM 736 CD ARG A 51 -14.800 2.221 3.514 1.00 21.33 C ATOM 737 NE ARG A 51 -15.581 2.910 2.483 1.00 44.40 N ATOM 738 CZ ARG A 51 -16.146 2.333 1.423 1.00 64.13 C ATOM 739 NH1 ARG A 51 -16.405 1.020 1.417 1.00 23.15 N ATOM 740 NH2 ARG A 51 -16.552 3.089 0.420 1.00 22.32 N ATOM 0 H ARG A 51 -12.302 0.716 4.871 1.00 52.21 H new ATOM 0 HA ARG A 51 -12.378 3.524 4.835 1.00 31.40 H new ATOM 0 HB2 ARG A 51 -14.029 1.348 5.986 1.00 31.03 H new ATOM 0 HB3 ARG A 51 -14.126 2.877 6.835 1.00 31.03 H new ATOM 0 HG2 ARG A 51 -15.903 2.816 5.237 1.00 72.00 H new ATOM 0 HG3 ARG A 51 -14.734 3.999 4.686 1.00 72.00 H new ATOM 0 HD2 ARG A 51 -13.757 2.162 3.204 1.00 21.33 H new ATOM 0 HD3 ARG A 51 -15.159 1.197 3.621 1.00 21.33 H new ATOM 0 HE ARG A 51 -15.703 3.918 2.586 1.00 44.40 H new ATOM 0 HH11 ARG A 51 -16.170 0.450 2.229 1.00 23.15 H new ATOM 0 HH12 ARG A 51 -16.838 0.589 0.600 1.00 23.15 H new ATOM 0 HH21 ARG A 51 -16.431 4.101 0.463 1.00 22.32 H new ATOM 0 HH22 ARG A 51 -16.986 2.661 -0.398 1.00 22.32 H new ATOM 754 N GLU A 52 -11.102 2.136 7.499 1.00 21.54 N ATOM 755 CA GLU A 52 -10.436 2.418 8.763 1.00 3.44 C ATOM 756 C GLU A 52 -8.980 2.797 8.524 1.00 30.23 C ATOM 757 O GLU A 52 -8.294 3.296 9.426 1.00 74.54 O ATOM 758 CB GLU A 52 -10.493 1.196 9.683 1.00 50.33 C ATOM 759 CG GLU A 52 -11.893 0.649 9.929 1.00 41.31 C ATOM 760 CD GLU A 52 -12.848 1.664 10.506 1.00 53.34 C ATOM 761 OE1 GLU A 52 -12.793 1.927 11.721 1.00 15.52 O ATOM 762 OE2 GLU A 52 -13.708 2.180 9.773 1.00 3.23 O ATOM 0 H GLU A 52 -11.079 1.157 7.212 1.00 21.54 H new ATOM 0 HA GLU A 52 -10.953 3.251 9.238 1.00 3.44 H new ATOM 0 HB2 GLU A 52 -9.879 0.405 9.252 1.00 50.33 H new ATOM 0 HB3 GLU A 52 -10.047 1.459 10.642 1.00 50.33 H new ATOM 0 HG2 GLU A 52 -12.298 0.276 8.988 1.00 41.31 H new ATOM 0 HG3 GLU A 52 -11.827 -0.202 10.607 1.00 41.31 H new ATOM 769 N GLY A 53 -8.520 2.576 7.309 1.00 12.22 N ATOM 770 CA GLY A 53 -7.137 2.824 6.982 1.00 73.51 C ATOM 771 C GLY A 53 -6.264 1.681 7.452 1.00 63.33 C ATOM 772 O GLY A 53 -5.093 1.861 7.766 1.00 43.25 O ATOM 0 H GLY A 53 -9.085 2.226 6.535 1.00 12.22 H new ATOM 0 HA2 GLY A 53 -7.030 2.951 5.905 1.00 73.51 H new ATOM 0 HA3 GLY A 53 -6.809 3.754 7.447 1.00 73.51 H new ATOM 776 N HIS A 54 -6.856 0.502 7.503 1.00 14.25 N ATOM 777 CA HIS A 54 -6.179 -0.714 7.953 1.00 72.34 C ATOM 778 C HIS A 54 -5.509 -1.379 6.744 1.00 41.30 C ATOM 779 O HIS A 54 -4.719 -2.308 6.874 1.00 31.04 O ATOM 780 CB HIS A 54 -7.229 -1.659 8.590 1.00 11.55 C ATOM 781 CG HIS A 54 -6.688 -2.903 9.250 1.00 4.04 C ATOM 782 ND1 HIS A 54 -6.606 -4.137 8.633 1.00 4.54 N ATOM 783 CD2 HIS A 54 -6.238 -3.090 10.512 1.00 63.02 C ATOM 784 CE1 HIS A 54 -6.128 -5.011 9.516 1.00 44.34 C ATOM 785 NE2 HIS A 54 -5.886 -4.427 10.680 1.00 3.34 N ATOM 0 H HIS A 54 -7.828 0.354 7.232 1.00 14.25 H new ATOM 0 HA HIS A 54 -5.415 -0.484 8.696 1.00 72.34 H new ATOM 0 HB2 HIS A 54 -7.793 -1.094 9.332 1.00 11.55 H new ATOM 0 HB3 HIS A 54 -7.934 -1.960 7.815 1.00 11.55 H new ATOM 0 HD2 HIS A 54 -6.163 -2.324 11.269 1.00 63.02 H new ATOM 0 HE1 HIS A 54 -5.960 -6.058 9.310 1.00 44.34 H new ATOM 0 HE2 HIS A 54 -5.518 -4.866 11.524 1.00 3.34 H new ATOM 793 N LEU A 55 -5.849 -0.877 5.582 1.00 44.52 N ATOM 794 CA LEU A 55 -5.354 -1.354 4.319 1.00 61.23 C ATOM 795 C LEU A 55 -5.538 -0.215 3.330 1.00 3.44 C ATOM 796 O LEU A 55 -6.353 0.678 3.589 1.00 61.04 O ATOM 797 CB LEU A 55 -6.174 -2.590 3.883 1.00 2.34 C ATOM 798 CG LEU A 55 -5.778 -3.272 2.565 1.00 70.43 C ATOM 799 CD1 LEU A 55 -4.359 -3.819 2.635 1.00 43.54 C ATOM 800 CD2 LEU A 55 -6.764 -4.379 2.228 1.00 62.40 C ATOM 0 H LEU A 55 -6.501 -0.098 5.489 1.00 44.52 H new ATOM 0 HA LEU A 55 -4.307 -1.650 4.376 1.00 61.23 H new ATOM 0 HB2 LEU A 55 -6.112 -3.333 4.678 1.00 2.34 H new ATOM 0 HB3 LEU A 55 -7.219 -2.291 3.807 1.00 2.34 H new ATOM 0 HG LEU A 55 -5.808 -2.525 1.772 1.00 70.43 H new ATOM 0 HD11 LEU A 55 -4.106 -4.296 1.688 1.00 43.54 H new ATOM 0 HD12 LEU A 55 -3.663 -3.002 2.827 1.00 43.54 H new ATOM 0 HD13 LEU A 55 -4.290 -4.551 3.440 1.00 43.54 H new ATOM 0 HD21 LEU A 55 -6.472 -4.854 1.292 1.00 62.40 H new ATOM 0 HD22 LEU A 55 -6.765 -5.121 3.026 1.00 62.40 H new ATOM 0 HD23 LEU A 55 -7.763 -3.957 2.124 1.00 62.40 H new ATOM 812 N VAL A 56 -4.787 -0.214 2.239 1.00 50.13 N ATOM 813 CA VAL A 56 -4.936 0.795 1.212 1.00 74.33 C ATOM 814 C VAL A 56 -5.082 0.106 -0.129 1.00 4.24 C ATOM 815 O VAL A 56 -4.639 -1.040 -0.296 1.00 74.51 O ATOM 816 CB VAL A 56 -3.754 1.821 1.160 1.00 22.22 C ATOM 817 CG1 VAL A 56 -3.615 2.569 2.476 1.00 5.20 C ATOM 818 CG2 VAL A 56 -2.438 1.150 0.788 1.00 25.22 C ATOM 0 H VAL A 56 -4.065 -0.908 2.045 1.00 50.13 H new ATOM 0 HA VAL A 56 -5.826 1.376 1.456 1.00 74.33 H new ATOM 0 HB VAL A 56 -3.994 2.542 0.378 1.00 22.22 H new ATOM 0 HG11 VAL A 56 -2.786 3.274 2.408 1.00 5.20 H new ATOM 0 HG12 VAL A 56 -4.537 3.112 2.685 1.00 5.20 H new ATOM 0 HG13 VAL A 56 -3.422 1.858 3.280 1.00 5.20 H new ATOM 0 HG21 VAL A 56 -1.644 1.896 0.763 1.00 25.22 H new ATOM 0 HG22 VAL A 56 -2.196 0.387 1.528 1.00 25.22 H new ATOM 0 HG23 VAL A 56 -2.531 0.686 -0.194 1.00 25.22 H new ATOM 828 N ALA A 57 -5.699 0.778 -1.057 1.00 40.43 N ATOM 829 CA ALA A 57 -5.973 0.233 -2.358 1.00 14.12 C ATOM 830 C ALA A 57 -5.438 1.171 -3.402 1.00 55.21 C ATOM 831 O ALA A 57 -5.252 2.358 -3.128 1.00 54.21 O ATOM 832 CB ALA A 57 -7.475 0.077 -2.534 1.00 13.35 C ATOM 0 H ALA A 57 -6.031 1.734 -0.931 1.00 40.43 H new ATOM 0 HA ALA A 57 -5.496 -0.742 -2.460 1.00 14.12 H new ATOM 0 HB1 ALA A 57 -7.685 -0.336 -3.521 1.00 13.35 H new ATOM 0 HB2 ALA A 57 -7.863 -0.595 -1.769 1.00 13.35 H new ATOM 0 HB3 ALA A 57 -7.956 1.051 -2.439 1.00 13.35 H new ATOM 838 N VAL A 58 -5.185 0.660 -4.577 1.00 3.34 N ATOM 839 CA VAL A 58 -4.690 1.459 -5.679 1.00 10.43 C ATOM 840 C VAL A 58 -5.499 1.172 -6.917 1.00 13.03 C ATOM 841 O VAL A 58 -6.233 0.184 -6.965 1.00 14.13 O ATOM 842 CB VAL A 58 -3.181 1.230 -5.944 1.00 30.32 C ATOM 843 CG1 VAL A 58 -2.400 1.639 -4.731 1.00 62.42 C ATOM 844 CG2 VAL A 58 -2.882 -0.218 -6.303 1.00 64.53 C ATOM 0 H VAL A 58 -5.315 -0.326 -4.803 1.00 3.34 H new ATOM 0 HA VAL A 58 -4.802 2.508 -5.406 1.00 10.43 H new ATOM 0 HB VAL A 58 -2.886 1.840 -6.798 1.00 30.32 H new ATOM 0 HG11 VAL A 58 -1.337 1.480 -4.912 1.00 62.42 H new ATOM 0 HG12 VAL A 58 -2.579 2.694 -4.522 1.00 62.42 H new ATOM 0 HG13 VAL A 58 -2.716 1.041 -3.876 1.00 62.42 H new ATOM 0 HG21 VAL A 58 -1.813 -0.335 -6.481 1.00 64.53 H new ATOM 0 HG22 VAL A 58 -3.187 -0.867 -5.482 1.00 64.53 H new ATOM 0 HG23 VAL A 58 -3.432 -0.491 -7.204 1.00 64.53 H new ATOM 854 N ARG A 59 -5.394 2.015 -7.897 1.00 5.52 N ATOM 855 CA ARG A 59 -6.179 1.868 -9.090 1.00 73.33 C ATOM 856 C ARG A 59 -5.270 1.765 -10.300 1.00 22.43 C ATOM 857 O ARG A 59 -4.448 2.642 -10.541 1.00 23.12 O ATOM 858 CB ARG A 59 -7.135 3.063 -9.204 1.00 61.24 C ATOM 859 CG ARG A 59 -8.166 2.990 -10.324 1.00 41.44 C ATOM 860 CD ARG A 59 -9.079 4.203 -10.251 1.00 54.25 C ATOM 861 NE ARG A 59 -10.169 4.192 -11.235 1.00 31.25 N ATOM 862 CZ ARG A 59 -11.189 5.071 -11.228 1.00 23.30 C ATOM 863 NH1 ARG A 59 -11.241 6.028 -10.304 1.00 12.11 N ATOM 864 NH2 ARG A 59 -12.147 4.994 -12.142 1.00 52.22 N ATOM 0 H ARG A 59 -4.767 2.820 -7.896 1.00 5.52 H new ATOM 0 HA ARG A 59 -6.768 0.952 -9.044 1.00 73.33 H new ATOM 0 HB2 ARG A 59 -7.664 3.171 -8.257 1.00 61.24 H new ATOM 0 HB3 ARG A 59 -6.541 3.966 -9.343 1.00 61.24 H new ATOM 0 HG2 ARG A 59 -7.666 2.956 -11.292 1.00 41.44 H new ATOM 0 HG3 ARG A 59 -8.751 2.075 -10.235 1.00 41.44 H new ATOM 0 HD2 ARG A 59 -9.507 4.262 -9.251 1.00 54.25 H new ATOM 0 HD3 ARG A 59 -8.482 5.103 -10.396 1.00 54.25 H new ATOM 0 HE ARG A 59 -10.153 3.479 -11.964 1.00 31.25 H new ATOM 0 HH11 ARG A 59 -10.507 6.097 -9.599 1.00 12.11 H new ATOM 0 HH12 ARG A 59 -12.015 6.693 -10.301 1.00 12.11 H new ATOM 0 HH21 ARG A 59 -12.114 4.266 -12.856 1.00 52.22 H new ATOM 0 HH22 ARG A 59 -12.917 5.663 -12.131 1.00 52.22 H new ATOM 878 N ARG A 60 -5.405 0.679 -11.030 1.00 14.31 N ATOM 879 CA ARG A 60 -4.643 0.461 -12.245 1.00 41.44 C ATOM 880 C ARG A 60 -5.591 0.380 -13.430 1.00 35.13 C ATOM 881 O ARG A 60 -6.471 -0.510 -13.481 1.00 4.42 O ATOM 882 CB ARG A 60 -3.770 -0.811 -12.169 1.00 4.23 C ATOM 883 CG ARG A 60 -4.527 -2.094 -11.817 1.00 51.41 C ATOM 884 CD ARG A 60 -3.656 -3.329 -11.973 1.00 72.22 C ATOM 885 NE ARG A 60 -2.421 -3.237 -11.203 1.00 5.33 N ATOM 886 CZ ARG A 60 -1.646 -4.248 -10.867 1.00 13.31 C ATOM 887 NH1 ARG A 60 -2.045 -5.510 -11.060 1.00 3.21 N ATOM 888 NH2 ARG A 60 -0.488 -3.989 -10.299 1.00 52.33 N ATOM 0 H ARG A 60 -6.046 -0.080 -10.799 1.00 14.31 H new ATOM 0 HA ARG A 60 -3.965 1.305 -12.369 1.00 41.44 H new ATOM 0 HB2 ARG A 60 -3.274 -0.951 -13.130 1.00 4.23 H new ATOM 0 HB3 ARG A 60 -2.988 -0.653 -11.427 1.00 4.23 H new ATOM 0 HG2 ARG A 60 -4.888 -2.032 -10.790 1.00 51.41 H new ATOM 0 HG3 ARG A 60 -5.404 -2.185 -12.458 1.00 51.41 H new ATOM 0 HD2 ARG A 60 -4.216 -4.208 -11.654 1.00 72.22 H new ATOM 0 HD3 ARG A 60 -3.415 -3.470 -13.027 1.00 72.22 H new ATOM 0 HE ARG A 60 -2.132 -2.308 -10.898 1.00 5.33 H new ATOM 0 HH11 ARG A 60 -2.959 -5.699 -11.472 1.00 3.21 H new ATOM 0 HH12 ARG A 60 -1.435 -6.284 -10.795 1.00 3.21 H new ATOM 0 HH21 ARG A 60 -0.208 -3.023 -10.128 1.00 52.33 H new ATOM 0 HH22 ARG A 60 0.130 -4.754 -10.029 1.00 52.33 H new ATOM 902 N ALA A 61 -5.486 1.370 -14.314 1.00 44.14 N ATOM 903 CA ALA A 61 -6.264 1.514 -15.574 1.00 61.32 C ATOM 904 C ALA A 61 -7.719 1.906 -15.308 1.00 41.13 C ATOM 905 O ALA A 61 -8.288 2.766 -15.982 1.00 50.25 O ATOM 906 CB ALA A 61 -6.181 0.255 -16.444 1.00 12.24 C ATOM 0 H ALA A 61 -4.829 2.138 -14.178 1.00 44.14 H new ATOM 0 HA ALA A 61 -5.804 2.329 -16.132 1.00 61.32 H new ATOM 0 HB1 ALA A 61 -6.763 0.403 -17.354 1.00 12.24 H new ATOM 0 HB2 ALA A 61 -5.141 0.062 -16.706 1.00 12.24 H new ATOM 0 HB3 ALA A 61 -6.580 -0.596 -15.892 1.00 12.24 H new ATOM 912 N GLY A 62 -8.270 1.306 -14.308 1.00 54.13 N ATOM 913 CA GLY A 62 -9.637 1.495 -13.937 1.00 55.14 C ATOM 914 C GLY A 62 -10.056 0.560 -12.813 1.00 53.04 C ATOM 915 O GLY A 62 -11.088 0.770 -12.192 1.00 50.23 O ATOM 0 H GLY A 62 -7.770 0.651 -13.707 1.00 54.13 H new ATOM 0 HA2 GLY A 62 -9.789 2.528 -13.625 1.00 55.14 H new ATOM 0 HA3 GLY A 62 -10.275 1.328 -14.805 1.00 55.14 H new ATOM 919 N GLY A 63 -9.234 -0.447 -12.524 1.00 3.03 N ATOM 920 CA GLY A 63 -9.567 -1.401 -11.498 1.00 63.34 C ATOM 921 C GLY A 63 -8.887 -1.089 -10.204 1.00 34.34 C ATOM 922 O GLY A 63 -7.739 -0.617 -10.195 1.00 1.23 O ATOM 0 H GLY A 63 -8.341 -0.613 -12.989 1.00 3.03 H new ATOM 0 HA2 GLY A 63 -10.647 -1.410 -11.348 1.00 63.34 H new ATOM 0 HA3 GLY A 63 -9.282 -2.401 -11.826 1.00 63.34 H new ATOM 926 N VAL A 64 -9.568 -1.365 -9.128 1.00 31.51 N ATOM 927 CA VAL A 64 -9.075 -1.132 -7.801 1.00 31.13 C ATOM 928 C VAL A 64 -8.498 -2.434 -7.293 1.00 14.31 C ATOM 929 O VAL A 64 -9.189 -3.463 -7.231 1.00 65.45 O ATOM 930 CB VAL A 64 -10.211 -0.647 -6.853 1.00 61.02 C ATOM 931 CG1 VAL A 64 -9.690 -0.411 -5.441 1.00 65.51 C ATOM 932 CG2 VAL A 64 -10.860 0.620 -7.393 1.00 70.31 C ATOM 0 H VAL A 64 -10.505 -1.768 -9.150 1.00 31.51 H new ATOM 0 HA VAL A 64 -8.316 -0.350 -7.823 1.00 31.13 H new ATOM 0 HB VAL A 64 -10.963 -1.435 -6.810 1.00 61.02 H new ATOM 0 HG11 VAL A 64 -10.507 -0.073 -4.803 1.00 65.51 H new ATOM 0 HG12 VAL A 64 -9.280 -1.340 -5.044 1.00 65.51 H new ATOM 0 HG13 VAL A 64 -8.909 0.349 -5.464 1.00 65.51 H new ATOM 0 HG21 VAL A 64 -11.651 0.941 -6.715 1.00 70.31 H new ATOM 0 HG22 VAL A 64 -10.110 1.407 -7.474 1.00 70.31 H new ATOM 0 HG23 VAL A 64 -11.284 0.420 -8.377 1.00 70.31 H new ATOM 942 N VAL A 65 -7.246 -2.388 -6.966 1.00 10.31 N ATOM 943 CA VAL A 65 -6.489 -3.541 -6.571 1.00 41.23 C ATOM 944 C VAL A 65 -5.716 -3.264 -5.296 1.00 54.10 C ATOM 945 O VAL A 65 -5.568 -2.108 -4.880 1.00 4.03 O ATOM 946 CB VAL A 65 -5.514 -3.987 -7.703 1.00 64.31 C ATOM 947 CG1 VAL A 65 -6.286 -4.557 -8.879 1.00 51.20 C ATOM 948 CG2 VAL A 65 -4.676 -2.815 -8.177 1.00 32.54 C ATOM 0 H VAL A 65 -6.703 -1.524 -6.965 1.00 10.31 H new ATOM 0 HA VAL A 65 -7.193 -4.352 -6.385 1.00 41.23 H new ATOM 0 HB VAL A 65 -4.859 -4.757 -7.296 1.00 64.31 H new ATOM 0 HG11 VAL A 65 -5.588 -4.863 -9.659 1.00 51.20 H new ATOM 0 HG12 VAL A 65 -6.864 -5.421 -8.550 1.00 51.20 H new ATOM 0 HG13 VAL A 65 -6.961 -3.798 -9.274 1.00 51.20 H new ATOM 0 HG21 VAL A 65 -4.002 -3.146 -8.967 1.00 32.54 H new ATOM 0 HG22 VAL A 65 -5.330 -2.032 -8.562 1.00 32.54 H new ATOM 0 HG23 VAL A 65 -4.093 -2.423 -7.343 1.00 32.54 H new ATOM 958 N ILE A 66 -5.246 -4.311 -4.686 1.00 64.10 N ATOM 959 CA ILE A 66 -4.503 -4.247 -3.449 1.00 63.15 C ATOM 960 C ILE A 66 -3.130 -4.882 -3.705 1.00 74.43 C ATOM 961 O ILE A 66 -3.060 -5.945 -4.325 1.00 22.25 O ATOM 962 CB ILE A 66 -5.215 -5.089 -2.336 1.00 40.31 C ATOM 963 CG1 ILE A 66 -6.692 -4.681 -2.135 1.00 32.13 C ATOM 964 CG2 ILE A 66 -4.458 -5.021 -1.014 1.00 41.15 C ATOM 965 CD1 ILE A 66 -6.905 -3.267 -1.655 1.00 45.14 C ATOM 0 H ILE A 66 -5.368 -5.260 -5.038 1.00 64.10 H new ATOM 0 HA ILE A 66 -4.426 -3.210 -3.123 1.00 63.15 H new ATOM 0 HB ILE A 66 -5.209 -6.121 -2.686 1.00 40.31 H new ATOM 0 HG12 ILE A 66 -7.221 -4.811 -3.079 1.00 32.13 H new ATOM 0 HG13 ILE A 66 -7.147 -5.364 -1.418 1.00 32.13 H new ATOM 0 HG21 ILE A 66 -4.980 -5.616 -0.265 1.00 41.15 H new ATOM 0 HG22 ILE A 66 -3.450 -5.413 -1.151 1.00 41.15 H new ATOM 0 HG23 ILE A 66 -4.402 -3.985 -0.680 1.00 41.15 H new ATOM 0 HD11 ILE A 66 -7.973 -3.077 -1.545 1.00 45.14 H new ATOM 0 HD12 ILE A 66 -6.411 -3.131 -0.693 1.00 45.14 H new ATOM 0 HD13 ILE A 66 -6.485 -2.570 -2.380 1.00 45.14 H new ATOM 977 N PRO A 67 -2.028 -4.252 -3.301 1.00 52.14 N ATOM 978 CA PRO A 67 -0.705 -4.858 -3.434 1.00 3.21 C ATOM 979 C PRO A 67 -0.564 -6.091 -2.511 1.00 55.01 C ATOM 980 O PRO A 67 -0.672 -5.980 -1.295 1.00 13.04 O ATOM 981 CB PRO A 67 0.260 -3.741 -3.000 1.00 72.11 C ATOM 982 CG PRO A 67 -0.551 -2.486 -3.028 1.00 74.34 C ATOM 983 CD PRO A 67 -1.959 -2.898 -2.723 1.00 63.43 C ATOM 0 HA PRO A 67 -0.510 -5.216 -4.445 1.00 3.21 H new ATOM 0 HB2 PRO A 67 0.658 -3.930 -2.003 1.00 72.11 H new ATOM 0 HB3 PRO A 67 1.113 -3.673 -3.676 1.00 72.11 H new ATOM 0 HG2 PRO A 67 -0.186 -1.769 -2.293 1.00 74.34 H new ATOM 0 HG3 PRO A 67 -0.488 -2.002 -4.003 1.00 74.34 H new ATOM 0 HD2 PRO A 67 -2.157 -2.904 -1.651 1.00 63.43 H new ATOM 0 HD3 PRO A 67 -2.686 -2.225 -3.178 1.00 63.43 H new ATOM 991 N GLN A 68 -0.317 -7.261 -3.107 1.00 5.41 N ATOM 992 CA GLN A 68 -0.198 -8.533 -2.381 1.00 54.34 C ATOM 993 C GLN A 68 0.979 -8.531 -1.408 1.00 74.41 C ATOM 994 O GLN A 68 0.987 -9.247 -0.412 1.00 12.34 O ATOM 995 CB GLN A 68 -0.097 -9.661 -3.388 1.00 30.11 C ATOM 996 CG GLN A 68 0.277 -11.021 -2.844 1.00 22.31 C ATOM 997 CD GLN A 68 0.286 -12.071 -3.926 1.00 70.12 C ATOM 998 OE1 GLN A 68 -0.589 -11.931 -4.907 1.00 25.44 O flip ATOM 999 NE2 GLN A 68 1.057 -13.014 -3.872 1.00 33.43 N flip ATOM 0 H GLN A 68 -0.193 -7.355 -4.115 1.00 5.41 H new ATOM 0 HA GLN A 68 -1.088 -8.677 -1.768 1.00 54.34 H new ATOM 0 HB2 GLN A 68 -1.056 -9.750 -3.898 1.00 30.11 H new ATOM 0 HB3 GLN A 68 0.639 -9.381 -4.141 1.00 30.11 H new ATOM 0 HG2 GLN A 68 1.262 -10.969 -2.379 1.00 22.31 H new ATOM 0 HG3 GLN A 68 -0.429 -11.308 -2.064 1.00 22.31 H new ATOM 0 HE21 GLN A 68 1.719 -13.088 -3.099 1.00 33.43 H new ATOM 0 HE22 GLN A 68 1.040 -13.729 -4.600 1.00 33.43 H new ATOM 1008 N VAL A 69 1.952 -7.707 -1.703 1.00 33.45 N ATOM 1009 CA VAL A 69 3.132 -7.543 -0.860 1.00 45.44 C ATOM 1010 C VAL A 69 2.795 -6.936 0.524 1.00 72.32 C ATOM 1011 O VAL A 69 3.633 -6.903 1.410 1.00 30.25 O ATOM 1012 CB VAL A 69 4.202 -6.696 -1.572 1.00 0.33 C ATOM 1013 CG1 VAL A 69 4.758 -7.447 -2.770 1.00 52.51 C ATOM 1014 CG2 VAL A 69 3.617 -5.363 -2.021 1.00 20.11 C ATOM 0 H VAL A 69 1.958 -7.122 -2.539 1.00 33.45 H new ATOM 0 HA VAL A 69 3.531 -8.542 -0.684 1.00 45.44 H new ATOM 0 HB VAL A 69 5.011 -6.504 -0.868 1.00 0.33 H new ATOM 0 HG11 VAL A 69 5.514 -6.836 -3.264 1.00 52.51 H new ATOM 0 HG12 VAL A 69 5.209 -8.382 -2.436 1.00 52.51 H new ATOM 0 HG13 VAL A 69 3.951 -7.663 -3.471 1.00 52.51 H new ATOM 0 HG21 VAL A 69 4.388 -4.778 -2.522 1.00 20.11 H new ATOM 0 HG22 VAL A 69 2.791 -5.542 -2.710 1.00 20.11 H new ATOM 0 HG23 VAL A 69 3.252 -4.815 -1.152 1.00 20.11 H new ATOM 1024 N PHE A 70 1.552 -6.469 0.684 1.00 64.43 N ATOM 1025 CA PHE A 70 1.049 -5.957 1.960 1.00 44.44 C ATOM 1026 C PHE A 70 0.610 -7.115 2.856 1.00 3.42 C ATOM 1027 O PHE A 70 0.237 -6.931 4.023 1.00 75.24 O ATOM 1028 CB PHE A 70 -0.131 -4.997 1.728 1.00 25.54 C ATOM 1029 CG PHE A 70 0.255 -3.573 1.393 1.00 32.43 C ATOM 1030 CD1 PHE A 70 1.242 -3.278 0.466 1.00 15.11 C ATOM 1031 CD2 PHE A 70 -0.362 -2.535 2.048 1.00 45.02 C ATOM 1032 CE1 PHE A 70 1.590 -1.961 0.201 1.00 53.31 C ATOM 1033 CE2 PHE A 70 -0.023 -1.230 1.798 1.00 50.23 C ATOM 1034 CZ PHE A 70 0.948 -0.935 0.876 1.00 25.31 C ATOM 0 H PHE A 70 0.866 -6.436 -0.070 1.00 64.43 H new ATOM 0 HA PHE A 70 1.853 -5.410 2.453 1.00 44.44 H new ATOM 0 HB2 PHE A 70 -0.745 -5.390 0.918 1.00 25.54 H new ATOM 0 HB3 PHE A 70 -0.752 -4.987 2.623 1.00 25.54 H new ATOM 0 HD1 PHE A 70 1.745 -4.080 -0.055 1.00 15.11 H new ATOM 0 HD2 PHE A 70 -1.130 -2.751 2.775 1.00 45.02 H new ATOM 0 HE1 PHE A 70 2.356 -1.737 -0.527 1.00 53.31 H new ATOM 0 HE2 PHE A 70 -0.522 -0.433 2.329 1.00 50.23 H new ATOM 0 HZ PHE A 70 1.212 0.093 0.677 1.00 25.31 H new ATOM 1044 N PHE A 71 0.640 -8.297 2.293 1.00 70.22 N ATOM 1045 CA PHE A 71 0.280 -9.493 2.986 1.00 61.35 C ATOM 1046 C PHE A 71 1.524 -10.334 3.198 1.00 31.44 C ATOM 1047 O PHE A 71 2.494 -10.223 2.443 1.00 44.32 O ATOM 1048 CB PHE A 71 -0.769 -10.293 2.195 1.00 53.53 C ATOM 1049 CG PHE A 71 -2.088 -9.584 2.013 1.00 51.20 C ATOM 1050 CD1 PHE A 71 -2.292 -8.726 0.945 1.00 43.42 C ATOM 1051 CD2 PHE A 71 -3.126 -9.785 2.906 1.00 53.33 C ATOM 1052 CE1 PHE A 71 -3.500 -8.085 0.774 1.00 22.44 C ATOM 1053 CE2 PHE A 71 -4.339 -9.147 2.738 1.00 34.42 C ATOM 1054 CZ PHE A 71 -4.526 -8.297 1.670 1.00 4.23 C ATOM 0 H PHE A 71 0.921 -8.450 1.324 1.00 70.22 H new ATOM 0 HA PHE A 71 -0.157 -9.227 3.949 1.00 61.35 H new ATOM 0 HB2 PHE A 71 -0.361 -10.532 1.213 1.00 53.53 H new ATOM 0 HB3 PHE A 71 -0.947 -11.239 2.706 1.00 53.53 H new ATOM 0 HD1 PHE A 71 -1.494 -8.557 0.237 1.00 43.42 H new ATOM 0 HD2 PHE A 71 -2.985 -10.450 3.745 1.00 53.33 H new ATOM 0 HE1 PHE A 71 -3.643 -7.416 -0.062 1.00 22.44 H new ATOM 0 HE2 PHE A 71 -5.140 -9.314 3.443 1.00 34.42 H new ATOM 0 HZ PHE A 71 -5.474 -7.798 1.535 1.00 4.23 H new ATOM 1064 N THR A 72 1.493 -11.151 4.212 1.00 34.34 N ATOM 1065 CA THR A 72 2.580 -12.044 4.557 1.00 73.34 C ATOM 1066 C THR A 72 2.602 -13.255 3.616 1.00 63.55 C ATOM 1067 O THR A 72 1.720 -13.396 2.751 1.00 0.25 O ATOM 1068 CB THR A 72 2.406 -12.537 6.012 1.00 53.22 C ATOM 1069 OG1 THR A 72 1.076 -13.083 6.188 1.00 54.22 O ATOM 1070 CG2 THR A 72 2.622 -11.409 7.003 1.00 31.22 C ATOM 0 H THR A 72 0.694 -11.222 4.842 1.00 34.34 H new ATOM 0 HA THR A 72 3.519 -11.500 4.458 1.00 73.34 H new ATOM 0 HB THR A 72 3.153 -13.309 6.199 1.00 53.22 H new ATOM 0 HG1 THR A 72 1.015 -13.949 5.733 1.00 54.22 H new ATOM 0 HG21 THR A 72 2.493 -11.786 8.017 1.00 31.22 H new ATOM 0 HG22 THR A 72 3.631 -11.013 6.889 1.00 31.22 H new ATOM 0 HG23 THR A 72 1.897 -10.616 6.816 1.00 31.22 H new ATOM 1078 N ASN A 73 3.608 -14.111 3.777 1.00 14.50 N ATOM 1079 CA ASN A 73 3.719 -15.390 3.037 1.00 23.33 C ATOM 1080 C ASN A 73 2.467 -16.240 3.260 1.00 13.43 C ATOM 1081 O ASN A 73 2.018 -16.959 2.369 1.00 74.14 O ATOM 1082 CB ASN A 73 4.973 -16.173 3.500 1.00 32.22 C ATOM 1083 CG ASN A 73 6.281 -15.677 2.885 1.00 54.43 C ATOM 1084 OD1 ASN A 73 6.342 -15.336 1.709 1.00 45.51 O ATOM 1085 ND2 ASN A 73 7.329 -15.593 3.686 1.00 41.24 N ATOM 0 H ASN A 73 4.379 -13.947 4.425 1.00 14.50 H new ATOM 0 HA ASN A 73 3.814 -15.167 1.974 1.00 23.33 H new ATOM 0 HB2 ASN A 73 5.047 -16.109 4.586 1.00 32.22 H new ATOM 0 HB3 ASN A 73 4.843 -17.226 3.251 1.00 32.22 H new ATOM 0 HD21 ASN A 73 8.216 -15.237 3.330 1.00 41.24 H new ATOM 0 HD22 ASN A 73 7.251 -15.884 4.661 1.00 41.24 H new ATOM 1092 N SER A 74 1.882 -16.100 4.441 1.00 21.32 N ATOM 1093 CA SER A 74 0.685 -16.823 4.825 1.00 71.34 C ATOM 1094 C SER A 74 -0.586 -16.175 4.240 1.00 43.31 C ATOM 1095 O SER A 74 -1.691 -16.676 4.429 1.00 52.22 O ATOM 1096 CB SER A 74 0.615 -16.859 6.342 1.00 23.11 C ATOM 1097 OG SER A 74 1.860 -17.285 6.874 1.00 23.30 O ATOM 0 H SER A 74 2.232 -15.473 5.166 1.00 21.32 H new ATOM 0 HA SER A 74 0.736 -17.835 4.424 1.00 71.34 H new ATOM 0 HB2 SER A 74 0.365 -15.870 6.727 1.00 23.11 H new ATOM 0 HB3 SER A 74 -0.178 -17.535 6.662 1.00 23.11 H new ATOM 0 HG SER A 74 1.808 -17.304 7.852 1.00 23.30 H new ATOM 1103 N GLY A 75 -0.418 -15.062 3.542 1.00 3.04 N ATOM 1104 CA GLY A 75 -1.542 -14.384 2.935 1.00 13.04 C ATOM 1105 C GLY A 75 -2.390 -13.672 3.957 1.00 61.22 C ATOM 1106 O GLY A 75 -3.612 -13.615 3.837 1.00 3.32 O ATOM 0 H GLY A 75 0.485 -14.614 3.385 1.00 3.04 H new ATOM 0 HA2 GLY A 75 -1.178 -13.665 2.201 1.00 13.04 H new ATOM 0 HA3 GLY A 75 -2.154 -15.107 2.396 1.00 13.04 H new ATOM 1110 N GLN A 76 -1.758 -13.192 4.999 1.00 54.15 N ATOM 1111 CA GLN A 76 -2.459 -12.439 6.024 1.00 51.24 C ATOM 1112 C GLN A 76 -1.942 -11.027 6.046 1.00 61.24 C ATOM 1113 O GLN A 76 -0.831 -10.774 5.585 1.00 14.33 O ATOM 1114 CB GLN A 76 -2.240 -13.050 7.398 1.00 4.42 C ATOM 1115 CG GLN A 76 -2.669 -14.488 7.529 1.00 75.51 C ATOM 1116 CD GLN A 76 -2.450 -15.007 8.921 1.00 34.01 C ATOM 1117 OE1 GLN A 76 -1.549 -14.559 9.628 1.00 4.43 O ATOM 1118 NE2 GLN A 76 -3.270 -15.920 9.342 1.00 62.53 N ATOM 0 H GLN A 76 -0.758 -13.306 5.165 1.00 54.15 H new ATOM 0 HA GLN A 76 -3.523 -12.459 5.790 1.00 51.24 H new ATOM 0 HB2 GLN A 76 -1.181 -12.978 7.647 1.00 4.42 H new ATOM 0 HB3 GLN A 76 -2.782 -12.456 8.134 1.00 4.42 H new ATOM 0 HG2 GLN A 76 -3.723 -14.579 7.268 1.00 75.51 H new ATOM 0 HG3 GLN A 76 -2.112 -15.100 6.820 1.00 75.51 H new ATOM 0 HE21 GLN A 76 -4.006 -16.268 8.727 1.00 62.53 H new ATOM 0 HE22 GLN A 76 -3.179 -16.290 10.288 1.00 62.53 H new ATOM 1127 N VAL A 77 -2.733 -10.117 6.564 1.00 2.21 N ATOM 1128 CA VAL A 77 -2.310 -8.741 6.724 1.00 74.43 C ATOM 1129 C VAL A 77 -1.188 -8.678 7.748 1.00 43.53 C ATOM 1130 O VAL A 77 -1.289 -9.288 8.820 1.00 62.51 O ATOM 1131 CB VAL A 77 -3.504 -7.823 7.160 1.00 35.44 C ATOM 1132 CG1 VAL A 77 -3.019 -6.459 7.619 1.00 50.10 C ATOM 1133 CG2 VAL A 77 -4.464 -7.635 6.005 1.00 23.42 C ATOM 0 H VAL A 77 -3.683 -10.305 6.885 1.00 2.21 H new ATOM 0 HA VAL A 77 -1.950 -8.372 5.764 1.00 74.43 H new ATOM 0 HB VAL A 77 -4.007 -8.315 7.992 1.00 35.44 H new ATOM 0 HG11 VAL A 77 -3.873 -5.849 7.914 1.00 50.10 H new ATOM 0 HG12 VAL A 77 -2.348 -6.579 8.470 1.00 50.10 H new ATOM 0 HG13 VAL A 77 -2.487 -5.969 6.804 1.00 50.10 H new ATOM 0 HG21 VAL A 77 -5.290 -6.996 6.318 1.00 23.42 H new ATOM 0 HG22 VAL A 77 -3.941 -7.169 5.170 1.00 23.42 H new ATOM 0 HG23 VAL A 77 -4.853 -8.604 5.694 1.00 23.42 H new ATOM 1143 N VAL A 78 -0.110 -8.004 7.392 1.00 41.10 N ATOM 1144 CA VAL A 78 1.018 -7.835 8.286 1.00 54.22 C ATOM 1145 C VAL A 78 0.552 -7.034 9.509 1.00 53.23 C ATOM 1146 O VAL A 78 -0.112 -6.017 9.364 1.00 55.22 O ATOM 1147 CB VAL A 78 2.196 -7.087 7.582 1.00 35.35 C ATOM 1148 CG1 VAL A 78 3.422 -7.002 8.483 1.00 33.43 C ATOM 1149 CG2 VAL A 78 2.560 -7.760 6.267 1.00 1.13 C ATOM 0 H VAL A 78 0.007 -7.561 6.481 1.00 41.10 H new ATOM 0 HA VAL A 78 1.383 -8.817 8.586 1.00 54.22 H new ATOM 0 HB VAL A 78 1.856 -6.073 7.374 1.00 35.35 H new ATOM 0 HG11 VAL A 78 4.221 -6.476 7.961 1.00 33.43 H new ATOM 0 HG12 VAL A 78 3.167 -6.462 9.395 1.00 33.43 H new ATOM 0 HG13 VAL A 78 3.756 -8.008 8.739 1.00 33.43 H new ATOM 0 HG21 VAL A 78 3.382 -7.220 5.797 1.00 1.13 H new ATOM 0 HG22 VAL A 78 2.864 -8.790 6.457 1.00 1.13 H new ATOM 0 HG23 VAL A 78 1.695 -7.753 5.603 1.00 1.13 H new ATOM 1159 N LYS A 79 0.889 -7.500 10.695 1.00 2.03 N ATOM 1160 CA LYS A 79 0.480 -6.860 11.953 1.00 42.33 C ATOM 1161 C LYS A 79 0.936 -5.395 12.055 1.00 72.51 C ATOM 1162 O LYS A 79 0.291 -4.572 12.704 1.00 62.32 O ATOM 1163 CB LYS A 79 0.977 -7.672 13.146 1.00 62.22 C ATOM 1164 CG LYS A 79 2.476 -7.812 13.191 1.00 4.34 C ATOM 1165 CD LYS A 79 2.944 -8.781 14.279 1.00 72.32 C ATOM 1166 CE LYS A 79 2.543 -8.334 15.684 1.00 21.25 C ATOM 1167 NZ LYS A 79 3.167 -7.050 16.069 1.00 42.32 N ATOM 0 H LYS A 79 1.457 -8.337 10.826 1.00 2.03 H new ATOM 0 HA LYS A 79 -0.610 -6.842 11.963 1.00 42.33 H new ATOM 0 HB2 LYS A 79 0.636 -7.198 14.066 1.00 62.22 H new ATOM 0 HB3 LYS A 79 0.528 -8.664 13.113 1.00 62.22 H new ATOM 0 HG2 LYS A 79 2.834 -8.159 12.222 1.00 4.34 H new ATOM 0 HG3 LYS A 79 2.924 -6.833 13.364 1.00 4.34 H new ATOM 0 HD2 LYS A 79 2.526 -9.768 14.084 1.00 72.32 H new ATOM 0 HD3 LYS A 79 4.028 -8.879 14.230 1.00 72.32 H new ATOM 0 HE2 LYS A 79 1.459 -8.237 15.735 1.00 21.25 H new ATOM 0 HE3 LYS A 79 2.829 -9.103 16.402 1.00 21.25 H new ATOM 0 HZ1 LYS A 79 2.932 -6.833 17.059 1.00 42.32 H new ATOM 0 HZ2 LYS A 79 4.199 -7.121 15.966 1.00 42.32 H new ATOM 0 HZ3 LYS A 79 2.809 -6.292 15.454 1.00 42.32 H new ATOM 1181 N SER A 80 2.017 -5.081 11.385 1.00 60.05 N ATOM 1182 CA SER A 80 2.569 -3.753 11.393 1.00 54.43 C ATOM 1183 C SER A 80 1.965 -2.891 10.272 1.00 3.34 C ATOM 1184 O SER A 80 2.278 -1.706 10.169 1.00 54.11 O ATOM 1185 CB SER A 80 4.071 -3.854 11.212 1.00 11.43 C ATOM 1186 OG SER A 80 4.613 -4.822 12.099 1.00 34.22 O ATOM 0 H SER A 80 2.541 -5.746 10.815 1.00 60.05 H new ATOM 0 HA SER A 80 2.331 -3.275 12.343 1.00 54.43 H new ATOM 0 HB2 SER A 80 4.302 -4.126 10.182 1.00 11.43 H new ATOM 0 HB3 SER A 80 4.532 -2.884 11.397 1.00 11.43 H new ATOM 0 HG SER A 80 5.574 -4.664 12.209 1.00 34.22 H new ATOM 1192 N LEU A 81 1.093 -3.484 9.449 1.00 12.25 N ATOM 1193 CA LEU A 81 0.498 -2.765 8.326 1.00 62.41 C ATOM 1194 C LEU A 81 -0.332 -1.562 8.795 1.00 44.33 C ATOM 1195 O LEU A 81 -0.034 -0.433 8.390 1.00 62.21 O ATOM 1196 CB LEU A 81 -0.326 -3.679 7.406 1.00 64.54 C ATOM 1197 CG LEU A 81 -0.872 -3.007 6.162 1.00 75.24 C ATOM 1198 CD1 LEU A 81 0.260 -2.570 5.280 1.00 54.12 C ATOM 1199 CD2 LEU A 81 -1.799 -3.929 5.415 1.00 12.44 C ATOM 0 H LEU A 81 0.788 -4.453 9.541 1.00 12.25 H new ATOM 0 HA LEU A 81 1.331 -2.387 7.734 1.00 62.41 H new ATOM 0 HB2 LEU A 81 0.296 -4.521 7.103 1.00 64.54 H new ATOM 0 HB3 LEU A 81 -1.160 -4.088 7.976 1.00 64.54 H new ATOM 0 HG LEU A 81 -1.445 -2.130 6.464 1.00 75.24 H new ATOM 0 HD11 LEU A 81 -0.139 -2.088 4.388 1.00 54.12 H new ATOM 0 HD12 LEU A 81 0.892 -1.866 5.821 1.00 54.12 H new ATOM 0 HD13 LEU A 81 0.851 -3.439 4.989 1.00 54.12 H new ATOM 0 HD21 LEU A 81 -2.177 -3.423 4.527 1.00 12.44 H new ATOM 0 HD22 LEU A 81 -1.258 -4.827 5.118 1.00 12.44 H new ATOM 0 HD23 LEU A 81 -2.634 -4.205 6.059 1.00 12.44 H new ATOM 1211 N PRO A 82 -1.370 -1.754 9.681 1.00 44.11 N ATOM 1212 CA PRO A 82 -2.146 -0.631 10.200 1.00 34.21 C ATOM 1213 C PRO A 82 -1.236 0.390 10.875 1.00 74.20 C ATOM 1214 O PRO A 82 -1.394 1.583 10.687 1.00 22.34 O ATOM 1215 CB PRO A 82 -3.093 -1.275 11.230 1.00 45.50 C ATOM 1216 CG PRO A 82 -2.544 -2.639 11.472 1.00 63.24 C ATOM 1217 CD PRO A 82 -1.881 -3.040 10.204 1.00 14.24 C ATOM 0 HA PRO A 82 -2.679 -0.094 9.415 1.00 34.21 H new ATOM 0 HB2 PRO A 82 -3.124 -0.695 12.152 1.00 45.50 H new ATOM 0 HB3 PRO A 82 -4.113 -1.324 10.849 1.00 45.50 H new ATOM 0 HG2 PRO A 82 -1.834 -2.634 12.299 1.00 63.24 H new ATOM 0 HG3 PRO A 82 -3.337 -3.338 11.737 1.00 63.24 H new ATOM 0 HD2 PRO A 82 -1.076 -3.755 10.377 1.00 14.24 H new ATOM 0 HD3 PRO A 82 -2.581 -3.509 9.512 1.00 14.24 H new ATOM 1225 N GLY A 83 -0.229 -0.113 11.585 1.00 70.12 N ATOM 1226 CA GLY A 83 0.702 0.730 12.294 1.00 14.22 C ATOM 1227 C GLY A 83 1.488 1.643 11.372 1.00 51.12 C ATOM 1228 O GLY A 83 1.641 2.839 11.662 1.00 3.43 O ATOM 0 H GLY A 83 -0.045 -1.112 11.679 1.00 70.12 H new ATOM 0 HA2 GLY A 83 0.158 1.335 13.019 1.00 14.22 H new ATOM 0 HA3 GLY A 83 1.395 0.105 12.857 1.00 14.22 H new ATOM 1232 N LEU A 84 1.988 1.104 10.264 1.00 74.24 N ATOM 1233 CA LEU A 84 2.732 1.915 9.315 1.00 32.41 C ATOM 1234 C LEU A 84 1.795 2.904 8.640 1.00 62.25 C ATOM 1235 O LEU A 84 2.113 4.073 8.489 1.00 11.24 O ATOM 1236 CB LEU A 84 3.539 1.057 8.293 1.00 74.41 C ATOM 1237 CG LEU A 84 2.787 0.392 7.120 1.00 22.02 C ATOM 1238 CD1 LEU A 84 2.702 1.329 5.901 1.00 34.52 C ATOM 1239 CD2 LEU A 84 3.436 -0.929 6.746 1.00 62.52 C ATOM 0 H LEU A 84 1.892 0.122 10.006 1.00 74.24 H new ATOM 0 HA LEU A 84 3.485 2.479 9.865 1.00 32.41 H new ATOM 0 HB2 LEU A 84 4.315 1.694 7.868 1.00 74.41 H new ATOM 0 HB3 LEU A 84 4.044 0.268 8.851 1.00 74.41 H new ATOM 0 HG LEU A 84 1.768 0.191 7.450 1.00 22.02 H new ATOM 0 HD11 LEU A 84 2.166 0.829 5.094 1.00 34.52 H new ATOM 0 HD12 LEU A 84 2.172 2.240 6.179 1.00 34.52 H new ATOM 0 HD13 LEU A 84 3.708 1.583 5.566 1.00 34.52 H new ATOM 0 HD21 LEU A 84 2.890 -1.381 5.918 1.00 62.52 H new ATOM 0 HD22 LEU A 84 4.470 -0.755 6.448 1.00 62.52 H new ATOM 0 HD23 LEU A 84 3.414 -1.601 7.604 1.00 62.52 H new ATOM 1251 N LEU A 85 0.610 2.437 8.297 1.00 24.44 N ATOM 1252 CA LEU A 85 -0.367 3.278 7.639 1.00 64.35 C ATOM 1253 C LEU A 85 -0.791 4.416 8.543 1.00 30.12 C ATOM 1254 O LEU A 85 -0.995 5.523 8.087 1.00 32.42 O ATOM 1255 CB LEU A 85 -1.575 2.464 7.180 1.00 13.42 C ATOM 1256 CG LEU A 85 -1.293 1.386 6.127 1.00 1.44 C ATOM 1257 CD1 LEU A 85 -2.543 0.588 5.849 1.00 24.31 C ATOM 1258 CD2 LEU A 85 -0.770 2.008 4.836 1.00 52.42 C ATOM 0 H LEU A 85 0.302 1.479 8.464 1.00 24.44 H new ATOM 0 HA LEU A 85 0.100 3.706 6.752 1.00 64.35 H new ATOM 0 HB2 LEU A 85 -2.019 1.985 8.053 1.00 13.42 H new ATOM 0 HB3 LEU A 85 -2.321 3.151 6.779 1.00 13.42 H new ATOM 0 HG LEU A 85 -0.526 0.719 6.521 1.00 1.44 H new ATOM 0 HD11 LEU A 85 -2.329 -0.174 5.100 1.00 24.31 H new ATOM 0 HD12 LEU A 85 -2.881 0.109 6.768 1.00 24.31 H new ATOM 0 HD13 LEU A 85 -3.324 1.252 5.478 1.00 24.31 H new ATOM 0 HD21 LEU A 85 -0.578 1.222 4.105 1.00 52.42 H new ATOM 0 HD22 LEU A 85 -1.513 2.699 4.438 1.00 52.42 H new ATOM 0 HD23 LEU A 85 0.155 2.547 5.041 1.00 52.42 H new ATOM 1270 N THR A 86 -0.870 4.145 9.828 1.00 43.24 N ATOM 1271 CA THR A 86 -1.251 5.161 10.796 1.00 24.51 C ATOM 1272 C THR A 86 -0.180 6.276 10.923 1.00 30.33 C ATOM 1273 O THR A 86 -0.525 7.462 10.968 1.00 63.43 O ATOM 1274 CB THR A 86 -1.597 4.541 12.178 1.00 70.30 C ATOM 1275 OG1 THR A 86 -2.663 3.593 12.002 1.00 72.33 O ATOM 1276 CG2 THR A 86 -2.057 5.611 13.164 1.00 33.40 C ATOM 0 H THR A 86 -0.676 3.228 10.231 1.00 43.24 H new ATOM 0 HA THR A 86 -2.158 5.632 10.416 1.00 24.51 H new ATOM 0 HB THR A 86 -0.703 4.061 12.577 1.00 70.30 H new ATOM 0 HG1 THR A 86 -2.325 2.805 11.527 1.00 72.33 H new ATOM 0 HG21 THR A 86 -2.292 5.146 14.122 1.00 33.40 H new ATOM 0 HG22 THR A 86 -1.263 6.345 13.302 1.00 33.40 H new ATOM 0 HG23 THR A 86 -2.946 6.107 12.774 1.00 33.40 H new ATOM 1284 N ILE A 87 1.108 5.909 10.930 1.00 11.11 N ATOM 1285 CA ILE A 87 2.157 6.919 11.016 1.00 71.12 C ATOM 1286 C ILE A 87 2.200 7.764 9.725 1.00 23.44 C ATOM 1287 O ILE A 87 2.348 8.986 9.772 1.00 24.35 O ATOM 1288 CB ILE A 87 3.573 6.324 11.475 1.00 35.40 C ATOM 1289 CG1 ILE A 87 4.688 7.399 11.646 1.00 44.45 C ATOM 1290 CG2 ILE A 87 4.060 5.200 10.584 1.00 14.24 C ATOM 1291 CD1 ILE A 87 5.317 7.927 10.357 1.00 31.41 C ATOM 0 H ILE A 87 1.438 4.945 10.878 1.00 11.11 H new ATOM 0 HA ILE A 87 1.902 7.604 11.824 1.00 71.12 H new ATOM 0 HB ILE A 87 3.374 5.911 12.464 1.00 35.40 H new ATOM 0 HG12 ILE A 87 4.269 8.243 12.194 1.00 44.45 H new ATOM 0 HG13 ILE A 87 5.479 6.977 12.266 1.00 44.45 H new ATOM 0 HG21 ILE A 87 5.023 4.840 10.946 1.00 14.24 H new ATOM 0 HG22 ILE A 87 3.338 4.384 10.600 1.00 14.24 H new ATOM 0 HG23 ILE A 87 4.171 5.567 9.563 1.00 14.24 H new ATOM 0 HD11 ILE A 87 6.078 8.668 10.601 1.00 31.41 H new ATOM 0 HD12 ILE A 87 5.775 7.102 9.811 1.00 31.41 H new ATOM 0 HD13 ILE A 87 4.547 8.388 9.739 1.00 31.41 H new ATOM 1303 N LEU A 88 2.034 7.130 8.578 1.00 12.40 N ATOM 1304 CA LEU A 88 1.956 7.883 7.332 1.00 13.24 C ATOM 1305 C LEU A 88 0.697 8.729 7.248 1.00 15.43 C ATOM 1306 O LEU A 88 0.725 9.838 6.722 1.00 54.30 O ATOM 1307 CB LEU A 88 2.115 7.026 6.085 1.00 22.24 C ATOM 1308 CG LEU A 88 3.537 6.571 5.713 1.00 63.24 C ATOM 1309 CD1 LEU A 88 4.538 7.724 5.725 1.00 55.33 C ATOM 1310 CD2 LEU A 88 4.007 5.418 6.554 1.00 14.01 C ATOM 0 H LEU A 88 1.952 6.118 8.479 1.00 12.40 H new ATOM 0 HA LEU A 88 2.815 8.553 7.358 1.00 13.24 H new ATOM 0 HB2 LEU A 88 1.498 6.136 6.208 1.00 22.24 H new ATOM 0 HB3 LEU A 88 1.708 7.582 5.240 1.00 22.24 H new ATOM 0 HG LEU A 88 3.481 6.211 4.686 1.00 63.24 H new ATOM 0 HD11 LEU A 88 5.526 7.351 5.456 1.00 55.33 H new ATOM 0 HD12 LEU A 88 4.228 8.482 5.006 1.00 55.33 H new ATOM 0 HD13 LEU A 88 4.575 8.163 6.722 1.00 55.33 H new ATOM 0 HD21 LEU A 88 5.015 5.135 6.252 1.00 14.01 H new ATOM 0 HD22 LEU A 88 4.011 5.711 7.604 1.00 14.01 H new ATOM 0 HD23 LEU A 88 3.336 4.570 6.417 1.00 14.01 H new ATOM 1322 N HIS A 89 -0.394 8.207 7.778 1.00 74.25 N ATOM 1323 CA HIS A 89 -1.684 8.913 7.819 1.00 62.52 C ATOM 1324 C HIS A 89 -1.550 10.165 8.680 1.00 53.15 C ATOM 1325 O HIS A 89 -2.156 11.195 8.401 1.00 24.32 O ATOM 1326 CB HIS A 89 -2.786 7.984 8.368 1.00 24.15 C ATOM 1327 CG HIS A 89 -4.171 8.576 8.415 1.00 1.40 C ATOM 1328 ND1 HIS A 89 -4.805 8.936 9.578 1.00 42.23 N ATOM 1329 CD2 HIS A 89 -5.053 8.825 7.419 1.00 43.44 C ATOM 1330 CE1 HIS A 89 -6.022 9.380 9.273 1.00 62.11 C ATOM 1331 NE2 HIS A 89 -6.227 9.336 7.967 1.00 74.41 N ATOM 0 H HIS A 89 -0.422 7.277 8.197 1.00 74.25 H new ATOM 0 HA HIS A 89 -1.967 9.209 6.809 1.00 62.52 H new ATOM 0 HB2 HIS A 89 -2.816 7.083 7.755 1.00 24.15 H new ATOM 0 HB3 HIS A 89 -2.508 7.675 9.376 1.00 24.15 H new ATOM 0 HD2 HIS A 89 -4.875 8.655 6.367 1.00 43.44 H new ATOM 0 HE1 HIS A 89 -6.745 9.729 9.995 1.00 62.11 H new ATOM 0 HE2 HIS A 89 -7.069 9.618 7.466 1.00 74.41 H new ATOM 1339 N ASP A 90 -0.711 10.059 9.689 1.00 43.54 N ATOM 1340 CA ASP A 90 -0.401 11.145 10.619 1.00 23.43 C ATOM 1341 C ASP A 90 0.268 12.303 9.864 1.00 14.12 C ATOM 1342 O ASP A 90 0.115 13.479 10.219 1.00 64.41 O ATOM 1343 CB ASP A 90 0.536 10.595 11.696 1.00 13.52 C ATOM 1344 CG ASP A 90 0.853 11.549 12.811 1.00 73.05 C ATOM 1345 OD1 ASP A 90 1.841 12.304 12.713 1.00 34.33 O ATOM 1346 OD2 ASP A 90 0.167 11.503 13.854 1.00 31.32 O ATOM 0 H ASP A 90 -0.208 9.196 9.898 1.00 43.54 H new ATOM 0 HA ASP A 90 -1.313 11.524 11.081 1.00 23.43 H new ATOM 0 HB2 ASP A 90 0.087 9.698 12.123 1.00 13.52 H new ATOM 0 HB3 ASP A 90 1.469 10.290 11.223 1.00 13.52 H new ATOM 1351 N GLY A 91 0.985 11.962 8.798 1.00 11.15 N ATOM 1352 CA GLY A 91 1.616 12.964 7.958 1.00 12.04 C ATOM 1353 C GLY A 91 0.787 13.269 6.711 1.00 50.34 C ATOM 1354 O GLY A 91 1.069 14.216 5.978 1.00 53.10 O ATOM 0 H GLY A 91 1.141 11.000 8.499 1.00 11.15 H new ATOM 0 HA2 GLY A 91 1.759 13.880 8.531 1.00 12.04 H new ATOM 0 HA3 GLY A 91 2.605 12.617 7.660 1.00 12.04 H new ATOM 1358 N GLY A 92 -0.238 12.473 6.485 1.00 4.31 N ATOM 1359 CA GLY A 92 -1.132 12.670 5.357 1.00 23.24 C ATOM 1360 C GLY A 92 -0.621 12.052 4.065 1.00 12.43 C ATOM 1361 O GLY A 92 -0.953 12.518 2.970 1.00 2.23 O ATOM 0 H GLY A 92 -0.476 11.675 7.073 1.00 4.31 H new ATOM 0 HA2 GLY A 92 -2.105 12.242 5.596 1.00 23.24 H new ATOM 0 HA3 GLY A 92 -1.283 13.739 5.205 1.00 23.24 H new ATOM 1365 N TYR A 93 0.171 11.008 4.177 1.00 21.45 N ATOM 1366 CA TYR A 93 0.727 10.358 3.001 1.00 43.13 C ATOM 1367 C TYR A 93 -0.236 9.355 2.396 1.00 62.42 C ATOM 1368 O TYR A 93 -0.777 8.498 3.088 1.00 0.00 O ATOM 1369 CB TYR A 93 2.089 9.722 3.289 1.00 3.14 C ATOM 1370 CG TYR A 93 3.194 10.735 3.490 1.00 14.45 C ATOM 1371 CD1 TYR A 93 3.408 11.351 4.718 1.00 42.40 C ATOM 1372 CD2 TYR A 93 4.016 11.084 2.436 1.00 42.30 C ATOM 1373 CE1 TYR A 93 4.414 12.286 4.876 1.00 5.04 C ATOM 1374 CE2 TYR A 93 5.015 12.009 2.583 1.00 34.45 C ATOM 1375 CZ TYR A 93 5.214 12.611 3.800 1.00 63.31 C ATOM 1376 OH TYR A 93 6.222 13.548 3.938 1.00 23.32 O ATOM 0 H TYR A 93 0.446 10.589 5.065 1.00 21.45 H new ATOM 0 HA TYR A 93 0.885 11.140 2.259 1.00 43.13 H new ATOM 0 HB2 TYR A 93 2.010 9.100 4.180 1.00 3.14 H new ATOM 0 HB3 TYR A 93 2.356 9.063 2.463 1.00 3.14 H new ATOM 0 HD1 TYR A 93 2.780 11.096 5.559 1.00 42.40 H new ATOM 0 HD2 TYR A 93 3.867 10.617 1.474 1.00 42.30 H new ATOM 0 HE1 TYR A 93 4.572 12.758 5.834 1.00 5.04 H new ATOM 0 HE2 TYR A 93 5.645 12.264 1.743 1.00 34.45 H new ATOM 0 HH TYR A 93 6.888 13.220 4.578 1.00 23.32 H new ATOM 1386 N ARG A 94 -0.459 9.499 1.110 1.00 20.24 N ATOM 1387 CA ARG A 94 -1.360 8.639 0.357 1.00 61.42 C ATOM 1388 C ARG A 94 -0.664 7.316 0.005 1.00 50.03 C ATOM 1389 O ARG A 94 0.558 7.193 0.149 1.00 24.21 O ATOM 1390 CB ARG A 94 -1.823 9.358 -0.926 1.00 34.24 C ATOM 1391 CG ARG A 94 -0.733 9.521 -1.970 1.00 20.35 C ATOM 1392 CD ARG A 94 -1.140 10.438 -3.108 1.00 71.31 C ATOM 1393 NE ARG A 94 -1.139 11.850 -2.698 1.00 41.01 N ATOM 1394 CZ ARG A 94 -0.927 12.888 -3.529 1.00 71.44 C ATOM 1395 NH1 ARG A 94 -0.793 12.690 -4.847 1.00 60.31 N ATOM 1396 NH2 ARG A 94 -0.851 14.117 -3.040 1.00 62.51 N ATOM 0 H ARG A 94 -0.017 10.224 0.545 1.00 20.24 H new ATOM 0 HA ARG A 94 -2.232 8.418 0.972 1.00 61.42 H new ATOM 0 HB2 ARG A 94 -2.651 8.801 -1.364 1.00 34.24 H new ATOM 0 HB3 ARG A 94 -2.207 10.343 -0.660 1.00 34.24 H new ATOM 0 HG2 ARG A 94 0.164 9.917 -1.493 1.00 20.35 H new ATOM 0 HG3 ARG A 94 -0.474 8.542 -2.373 1.00 20.35 H new ATOM 0 HD2 ARG A 94 -0.457 10.302 -3.946 1.00 71.31 H new ATOM 0 HD3 ARG A 94 -2.134 10.162 -3.459 1.00 71.31 H new ATOM 0 HE ARG A 94 -1.311 12.058 -1.714 1.00 41.01 H new ATOM 0 HH11 ARG A 94 -0.851 11.746 -5.229 1.00 60.31 H new ATOM 0 HH12 ARG A 94 -0.633 13.483 -5.468 1.00 60.31 H new ATOM 0 HH21 ARG A 94 -0.953 14.274 -2.037 1.00 62.51 H new ATOM 0 HH22 ARG A 94 -0.690 14.906 -3.666 1.00 62.51 H new ATOM 1410 N ASP A 95 -1.439 6.380 -0.518 1.00 50.22 N ATOM 1411 CA ASP A 95 -0.988 5.021 -0.897 1.00 72.23 C ATOM 1412 C ASP A 95 0.207 5.068 -1.850 1.00 70.02 C ATOM 1413 O ASP A 95 1.187 4.328 -1.682 1.00 62.21 O ATOM 1414 CB ASP A 95 -2.151 4.284 -1.588 1.00 42.32 C ATOM 1415 CG ASP A 95 -2.680 5.069 -2.776 1.00 24.41 C ATOM 1416 OD1 ASP A 95 -3.472 5.999 -2.552 1.00 15.02 O ATOM 1417 OD2 ASP A 95 -2.244 4.840 -3.915 1.00 4.30 O ATOM 0 H ASP A 95 -2.430 6.534 -0.702 1.00 50.22 H new ATOM 0 HA ASP A 95 -0.679 4.499 0.009 1.00 72.23 H new ATOM 0 HB2 ASP A 95 -1.815 3.302 -1.920 1.00 42.32 H new ATOM 0 HB3 ASP A 95 -2.956 4.120 -0.872 1.00 42.32 H new ATOM 1422 N THR A 96 0.132 5.959 -2.810 1.00 23.11 N ATOM 1423 CA THR A 96 1.142 6.144 -3.804 1.00 63.32 C ATOM 1424 C THR A 96 2.472 6.522 -3.152 1.00 4.33 C ATOM 1425 O THR A 96 3.521 5.984 -3.504 1.00 23.34 O ATOM 1426 CB THR A 96 0.688 7.233 -4.760 1.00 61.54 C ATOM 1427 OG1 THR A 96 -0.682 6.959 -5.137 1.00 14.42 O ATOM 1428 CG2 THR A 96 1.575 7.263 -5.997 1.00 23.10 C ATOM 0 H THR A 96 -0.662 6.591 -2.917 1.00 23.11 H new ATOM 0 HA THR A 96 1.293 5.214 -4.352 1.00 63.32 H new ATOM 0 HB THR A 96 0.759 8.206 -4.274 1.00 61.54 H new ATOM 0 HG1 THR A 96 -1.162 7.804 -5.263 1.00 14.42 H new ATOM 0 HG21 THR A 96 1.234 8.050 -6.670 1.00 23.10 H new ATOM 0 HG22 THR A 96 2.605 7.460 -5.701 1.00 23.10 H new ATOM 0 HG23 THR A 96 1.521 6.301 -6.507 1.00 23.10 H new ATOM 1436 N GLU A 97 2.400 7.399 -2.156 1.00 33.42 N ATOM 1437 CA GLU A 97 3.572 7.846 -1.440 1.00 71.53 C ATOM 1438 C GLU A 97 4.186 6.700 -0.692 1.00 21.52 C ATOM 1439 O GLU A 97 5.395 6.532 -0.720 1.00 42.50 O ATOM 1440 CB GLU A 97 3.233 8.971 -0.467 1.00 3.53 C ATOM 1441 CG GLU A 97 2.815 10.262 -1.136 1.00 34.04 C ATOM 1442 CD GLU A 97 3.917 10.851 -1.963 1.00 23.50 C ATOM 1443 OE1 GLU A 97 4.019 10.511 -3.141 1.00 3.54 O ATOM 1444 OE2 GLU A 97 4.696 11.658 -1.444 1.00 64.33 O ATOM 0 H GLU A 97 1.527 7.814 -1.829 1.00 33.42 H new ATOM 0 HA GLU A 97 4.284 8.229 -2.171 1.00 71.53 H new ATOM 0 HB2 GLU A 97 2.430 8.638 0.190 1.00 3.53 H new ATOM 0 HB3 GLU A 97 4.101 9.165 0.163 1.00 3.53 H new ATOM 0 HG2 GLU A 97 1.947 10.077 -1.769 1.00 34.04 H new ATOM 0 HG3 GLU A 97 2.509 10.981 -0.376 1.00 34.04 H new ATOM 1451 N ILE A 98 3.329 5.853 -0.108 1.00 61.54 N ATOM 1452 CA ILE A 98 3.781 4.730 0.715 1.00 13.33 C ATOM 1453 C ILE A 98 4.633 3.830 -0.142 1.00 23.25 C ATOM 1454 O ILE A 98 5.744 3.484 0.212 1.00 60.11 O ATOM 1455 CB ILE A 98 2.591 3.846 1.232 1.00 63.34 C ATOM 1456 CG1 ILE A 98 1.447 4.677 1.826 1.00 50.31 C ATOM 1457 CG2 ILE A 98 3.081 2.833 2.260 1.00 2.03 C ATOM 1458 CD1 ILE A 98 1.835 5.559 2.970 1.00 61.21 C ATOM 0 H ILE A 98 2.315 5.927 -0.192 1.00 61.54 H new ATOM 0 HA ILE A 98 4.315 5.149 1.568 1.00 13.33 H new ATOM 0 HB ILE A 98 2.195 3.323 0.362 1.00 63.34 H new ATOM 0 HG12 ILE A 98 1.021 5.297 1.037 1.00 50.31 H new ATOM 0 HG13 ILE A 98 0.661 4.000 2.159 1.00 50.31 H new ATOM 0 HG21 ILE A 98 2.241 2.230 2.606 1.00 2.03 H new ATOM 0 HG22 ILE A 98 3.829 2.185 1.804 1.00 2.03 H new ATOM 0 HG23 ILE A 98 3.523 3.358 3.106 1.00 2.03 H new ATOM 0 HD11 ILE A 98 0.960 6.106 3.321 1.00 61.21 H new ATOM 0 HD12 ILE A 98 2.232 4.949 3.782 1.00 61.21 H new ATOM 0 HD13 ILE A 98 2.597 6.266 2.642 1.00 61.21 H new ATOM 1470 N MET A 99 4.122 3.534 -1.313 1.00 21.33 N ATOM 1471 CA MET A 99 4.777 2.635 -2.228 1.00 71.50 C ATOM 1472 C MET A 99 6.030 3.232 -2.840 1.00 21.41 C ATOM 1473 O MET A 99 6.930 2.504 -3.208 1.00 64.25 O ATOM 1474 CB MET A 99 3.821 2.178 -3.316 1.00 54.41 C ATOM 1475 CG MET A 99 2.651 1.364 -2.799 1.00 22.13 C ATOM 1476 SD MET A 99 1.562 0.802 -4.116 1.00 20.51 S ATOM 1477 CE MET A 99 0.947 2.372 -4.705 1.00 24.41 C ATOM 0 H MET A 99 3.239 3.911 -1.657 1.00 21.33 H new ATOM 0 HA MET A 99 5.089 1.770 -1.643 1.00 71.50 H new ATOM 0 HB2 MET A 99 3.439 3.053 -3.842 1.00 54.41 H new ATOM 0 HB3 MET A 99 4.372 1.583 -4.045 1.00 54.41 H new ATOM 0 HG2 MET A 99 3.028 0.500 -2.251 1.00 22.13 H new ATOM 0 HG3 MET A 99 2.079 1.965 -2.092 1.00 22.13 H new ATOM 0 HE1 MET A 99 0.603 2.265 -5.734 1.00 24.41 H new ATOM 0 HE2 MET A 99 0.118 2.697 -4.077 1.00 24.41 H new ATOM 0 HE3 MET A 99 1.745 3.114 -4.665 1.00 24.41 H new ATOM 1487 N ARG A 100 6.095 4.547 -2.932 1.00 74.34 N ATOM 1488 CA ARG A 100 7.259 5.211 -3.522 1.00 15.24 C ATOM 1489 C ARG A 100 8.558 4.870 -2.810 1.00 41.24 C ATOM 1490 O ARG A 100 9.418 4.188 -3.369 1.00 45.01 O ATOM 1491 CB ARG A 100 7.057 6.713 -3.619 1.00 74.15 C ATOM 1492 CG ARG A 100 6.177 7.110 -4.772 1.00 11.45 C ATOM 1493 CD ARG A 100 5.940 8.595 -4.802 1.00 30.12 C ATOM 1494 NE ARG A 100 5.440 9.021 -6.126 1.00 61.15 N ATOM 1495 CZ ARG A 100 5.120 10.272 -6.461 1.00 40.30 C ATOM 1496 NH1 ARG A 100 4.867 11.166 -5.519 1.00 24.03 N ATOM 1497 NH2 ARG A 100 4.953 10.598 -7.741 1.00 11.32 N ATOM 0 H ARG A 100 5.363 5.180 -2.610 1.00 74.34 H new ATOM 0 HA ARG A 100 7.351 4.820 -4.535 1.00 15.24 H new ATOM 0 HB2 ARG A 100 6.617 7.076 -2.690 1.00 74.15 H new ATOM 0 HB3 ARG A 100 8.027 7.199 -3.724 1.00 74.15 H new ATOM 0 HG2 ARG A 100 6.639 6.796 -5.708 1.00 11.45 H new ATOM 0 HG3 ARG A 100 5.222 6.590 -4.697 1.00 11.45 H new ATOM 0 HD2 ARG A 100 5.219 8.868 -4.031 1.00 30.12 H new ATOM 0 HD3 ARG A 100 6.867 9.120 -4.572 1.00 30.12 H new ATOM 0 HE ARG A 100 5.331 8.301 -6.840 1.00 61.15 H new ATOM 0 HH11 ARG A 100 4.917 10.899 -4.536 1.00 24.03 H new ATOM 0 HH12 ARG A 100 4.622 12.122 -5.776 1.00 24.03 H new ATOM 0 HH21 ARG A 100 5.070 9.891 -8.467 1.00 11.32 H new ATOM 0 HH22 ARG A 100 4.708 11.555 -7.996 1.00 11.32 H new ATOM 1511 N TRP A 101 8.687 5.289 -1.581 1.00 52.04 N ATOM 1512 CA TRP A 101 9.894 5.016 -0.814 1.00 30.25 C ATOM 1513 C TRP A 101 10.050 3.544 -0.481 1.00 23.15 C ATOM 1514 O TRP A 101 11.164 3.025 -0.436 1.00 25.33 O ATOM 1515 CB TRP A 101 9.996 5.896 0.438 1.00 1.15 C ATOM 1516 CG TRP A 101 8.708 6.096 1.164 1.00 32.30 C ATOM 1517 CD1 TRP A 101 7.879 7.162 1.025 1.00 10.22 C ATOM 1518 CD2 TRP A 101 8.095 5.233 2.136 1.00 43.14 C ATOM 1519 NE1 TRP A 101 6.791 7.022 1.823 1.00 54.31 N ATOM 1520 CE2 TRP A 101 6.896 5.848 2.524 1.00 65.33 C ATOM 1521 CE3 TRP A 101 8.436 3.999 2.716 1.00 1.42 C ATOM 1522 CZ2 TRP A 101 6.041 5.281 3.451 1.00 10.21 C ATOM 1523 CZ3 TRP A 101 7.581 3.443 3.639 1.00 22.12 C ATOM 1524 CH2 TRP A 101 6.400 4.083 4.001 1.00 52.44 C ATOM 0 H TRP A 101 7.976 5.822 -1.080 1.00 52.04 H new ATOM 0 HA TRP A 101 10.731 5.281 -1.460 1.00 30.25 H new ATOM 0 HB2 TRP A 101 10.718 5.449 1.122 1.00 1.15 H new ATOM 0 HB3 TRP A 101 10.390 6.870 0.150 1.00 1.15 H new ATOM 0 HD1 TRP A 101 8.060 8.003 0.372 1.00 10.22 H new ATOM 0 HE1 TRP A 101 6.018 7.684 1.891 1.00 54.31 H new ATOM 0 HE3 TRP A 101 9.352 3.497 2.442 1.00 1.42 H new ATOM 0 HZ2 TRP A 101 5.119 5.769 3.731 1.00 10.21 H new ATOM 0 HZ3 TRP A 101 7.831 2.494 4.090 1.00 22.12 H new ATOM 0 HH2 TRP A 101 5.753 3.623 4.733 1.00 52.44 H new ATOM 1535 N LEU A 102 8.935 2.879 -0.295 1.00 5.00 N ATOM 1536 CA LEU A 102 8.912 1.492 0.105 1.00 61.34 C ATOM 1537 C LEU A 102 9.451 0.585 -0.993 1.00 4.44 C ATOM 1538 O LEU A 102 10.190 -0.360 -0.722 1.00 10.14 O ATOM 1539 CB LEU A 102 7.488 1.105 0.449 1.00 54.02 C ATOM 1540 CG LEU A 102 7.263 -0.242 1.094 1.00 4.13 C ATOM 1541 CD1 LEU A 102 7.968 -0.313 2.426 1.00 21.33 C ATOM 1542 CD2 LEU A 102 5.782 -0.463 1.275 1.00 11.33 C ATOM 0 H LEU A 102 8.009 3.289 -0.418 1.00 5.00 H new ATOM 0 HA LEU A 102 9.556 1.368 0.976 1.00 61.34 H new ATOM 0 HB2 LEU A 102 7.085 1.868 1.115 1.00 54.02 H new ATOM 0 HB3 LEU A 102 6.900 1.140 -0.468 1.00 54.02 H new ATOM 0 HG LEU A 102 7.671 -1.022 0.451 1.00 4.13 H new ATOM 0 HD11 LEU A 102 7.796 -1.290 2.877 1.00 21.33 H new ATOM 0 HD12 LEU A 102 9.038 -0.165 2.280 1.00 21.33 H new ATOM 0 HD13 LEU A 102 7.581 0.464 3.085 1.00 21.33 H new ATOM 0 HD21 LEU A 102 5.613 -1.434 1.740 1.00 11.33 H new ATOM 0 HD22 LEU A 102 5.372 0.321 1.912 1.00 11.33 H new ATOM 0 HD23 LEU A 102 5.289 -0.436 0.303 1.00 11.33 H new ATOM 1554 N PHE A 103 9.095 0.881 -2.228 1.00 61.32 N ATOM 1555 CA PHE A 103 9.529 0.077 -3.357 1.00 11.12 C ATOM 1556 C PHE A 103 10.894 0.484 -3.864 1.00 31.11 C ATOM 1557 O PHE A 103 11.433 -0.149 -4.757 1.00 64.41 O ATOM 1558 CB PHE A 103 8.496 0.074 -4.493 1.00 12.10 C ATOM 1559 CG PHE A 103 7.294 -0.807 -4.243 1.00 54.25 C ATOM 1560 CD1 PHE A 103 6.340 -0.484 -3.286 1.00 12.14 C ATOM 1561 CD2 PHE A 103 7.120 -1.963 -4.980 1.00 24.30 C ATOM 1562 CE1 PHE A 103 5.250 -1.295 -3.074 1.00 14.52 C ATOM 1563 CE2 PHE A 103 6.030 -2.776 -4.768 1.00 32.32 C ATOM 1564 CZ PHE A 103 5.094 -2.438 -3.812 1.00 61.00 C ATOM 0 H PHE A 103 8.505 1.675 -2.477 1.00 61.32 H new ATOM 0 HA PHE A 103 9.615 -0.944 -2.986 1.00 11.12 H new ATOM 0 HB2 PHE A 103 8.154 1.096 -4.659 1.00 12.10 H new ATOM 0 HB3 PHE A 103 8.985 -0.252 -5.411 1.00 12.10 H new ATOM 0 HD1 PHE A 103 6.456 0.416 -2.701 1.00 12.14 H new ATOM 0 HD2 PHE A 103 7.848 -2.232 -5.731 1.00 24.30 H new ATOM 0 HE1 PHE A 103 4.517 -1.031 -2.326 1.00 14.52 H new ATOM 0 HE2 PHE A 103 5.907 -3.678 -5.349 1.00 32.32 H new ATOM 0 HZ PHE A 103 4.238 -3.075 -3.646 1.00 61.00 H new ATOM 1574 N THR A 104 11.461 1.513 -3.282 1.00 0.11 N ATOM 1575 CA THR A 104 12.779 1.949 -3.662 1.00 55.42 C ATOM 1576 C THR A 104 13.834 1.162 -2.849 1.00 65.12 C ATOM 1577 O THR A 104 13.937 1.335 -1.622 1.00 51.22 O ATOM 1578 CB THR A 104 12.946 3.475 -3.428 1.00 41.25 C ATOM 1579 OG1 THR A 104 11.924 4.197 -4.162 1.00 42.31 O ATOM 1580 CG2 THR A 104 14.320 3.952 -3.895 1.00 64.31 C ATOM 0 H THR A 104 11.027 2.064 -2.541 1.00 0.11 H new ATOM 0 HA THR A 104 12.922 1.756 -4.725 1.00 55.42 H new ATOM 0 HB THR A 104 12.849 3.667 -2.359 1.00 41.25 H new ATOM 0 HG1 THR A 104 11.046 4.013 -3.768 1.00 42.31 H new ATOM 0 HG21 THR A 104 14.412 5.024 -3.720 1.00 64.31 H new ATOM 0 HG22 THR A 104 15.096 3.426 -3.339 1.00 64.31 H new ATOM 0 HG23 THR A 104 14.434 3.747 -4.959 1.00 64.31 H new ATOM 1588 N PRO A 105 14.593 0.253 -3.509 1.00 54.24 N ATOM 1589 CA PRO A 105 15.614 -0.550 -2.845 1.00 22.21 C ATOM 1590 C PRO A 105 16.742 0.321 -2.345 1.00 51.30 C ATOM 1591 O PRO A 105 17.159 1.269 -3.025 1.00 72.14 O ATOM 1592 CB PRO A 105 16.130 -1.495 -3.946 1.00 44.02 C ATOM 1593 CG PRO A 105 15.108 -1.427 -5.025 1.00 24.23 C ATOM 1594 CD PRO A 105 14.533 -0.048 -4.952 1.00 10.35 C ATOM 0 HA PRO A 105 15.219 -1.080 -1.978 1.00 22.21 H new ATOM 0 HB2 PRO A 105 17.108 -1.180 -4.309 1.00 44.02 H new ATOM 0 HB3 PRO A 105 16.241 -2.513 -3.572 1.00 44.02 H new ATOM 0 HG2 PRO A 105 15.556 -1.613 -6.001 1.00 24.23 H new ATOM 0 HG3 PRO A 105 14.335 -2.182 -4.880 1.00 24.23 H new ATOM 0 HD2 PRO A 105 15.113 0.664 -5.539 1.00 10.35 H new ATOM 0 HD3 PRO A 105 13.511 -0.015 -5.330 1.00 10.35 H new ATOM 1602 N ASP A 106 17.229 0.026 -1.177 1.00 33.32 N ATOM 1603 CA ASP A 106 18.304 0.803 -0.617 1.00 43.20 C ATOM 1604 C ASP A 106 19.595 0.063 -0.855 1.00 73.04 C ATOM 1605 O ASP A 106 19.756 -1.066 -0.374 1.00 53.31 O ATOM 1606 CB ASP A 106 18.104 1.044 0.872 1.00 72.24 C ATOM 1607 CG ASP A 106 19.137 1.981 1.472 1.00 75.33 C ATOM 1608 OD1 ASP A 106 20.298 1.574 1.687 1.00 1.34 O ATOM 1609 OD2 ASP A 106 18.785 3.137 1.776 1.00 14.44 O ATOM 0 H ASP A 106 16.903 -0.743 -0.592 1.00 33.32 H new ATOM 0 HA ASP A 106 18.328 1.780 -1.100 1.00 43.20 H new ATOM 0 HB2 ASP A 106 17.109 1.458 1.036 1.00 72.24 H new ATOM 0 HB3 ASP A 106 18.142 0.089 1.396 1.00 72.24 H new ATOM 1614 N PRO A 107 20.534 0.676 -1.588 1.00 3.50 N ATOM 1615 CA PRO A 107 21.804 0.039 -1.968 1.00 72.20 C ATOM 1616 C PRO A 107 22.655 -0.383 -0.779 1.00 4.23 C ATOM 1617 O PRO A 107 23.464 -1.308 -0.874 1.00 73.05 O ATOM 1618 CB PRO A 107 22.542 1.117 -2.749 1.00 21.40 C ATOM 1619 CG PRO A 107 21.520 2.129 -3.129 1.00 5.13 C ATOM 1620 CD PRO A 107 20.423 2.046 -2.123 1.00 62.43 C ATOM 0 HA PRO A 107 21.613 -0.877 -2.526 1.00 72.20 H new ATOM 0 HB2 PRO A 107 23.328 1.567 -2.143 1.00 21.40 H new ATOM 0 HB3 PRO A 107 23.022 0.697 -3.633 1.00 21.40 H new ATOM 0 HG2 PRO A 107 21.955 3.128 -3.143 1.00 5.13 H new ATOM 0 HG3 PRO A 107 21.139 1.933 -4.131 1.00 5.13 H new ATOM 0 HD2 PRO A 107 20.544 2.792 -1.338 1.00 62.43 H new ATOM 0 HD3 PRO A 107 19.448 2.219 -2.580 1.00 62.43 H new ATOM 1628 N SER A 108 22.457 0.268 0.327 1.00 65.52 N ATOM 1629 CA SER A 108 23.247 0.014 1.500 1.00 73.54 C ATOM 1630 C SER A 108 22.467 -0.759 2.569 1.00 10.14 C ATOM 1631 O SER A 108 22.943 -0.946 3.690 1.00 41.14 O ATOM 1632 CB SER A 108 23.800 1.341 2.030 1.00 42.21 C ATOM 1633 OG SER A 108 22.784 2.360 2.050 1.00 65.43 O ATOM 0 H SER A 108 21.746 0.989 0.445 1.00 65.52 H new ATOM 0 HA SER A 108 24.083 -0.631 1.228 1.00 73.54 H new ATOM 0 HB2 SER A 108 24.194 1.197 3.036 1.00 42.21 H new ATOM 0 HB3 SER A 108 24.632 1.666 1.405 1.00 42.21 H new ATOM 0 HG SER A 108 21.912 1.949 2.224 1.00 65.43 H new ATOM 1639 N LEU A 109 21.290 -1.220 2.216 1.00 44.04 N ATOM 1640 CA LEU A 109 20.457 -1.942 3.144 1.00 51.51 C ATOM 1641 C LEU A 109 20.523 -3.427 2.854 1.00 11.13 C ATOM 1642 O LEU A 109 20.332 -3.849 1.719 1.00 51.20 O ATOM 1643 CB LEU A 109 19.024 -1.453 3.016 1.00 22.52 C ATOM 1644 CG LEU A 109 17.993 -2.050 3.955 1.00 42.21 C ATOM 1645 CD1 LEU A 109 18.342 -1.756 5.397 1.00 2.24 C ATOM 1646 CD2 LEU A 109 16.618 -1.513 3.623 1.00 31.43 C ATOM 0 H LEU A 109 20.887 -1.106 1.286 1.00 44.04 H new ATOM 0 HA LEU A 109 20.812 -1.768 4.160 1.00 51.51 H new ATOM 0 HB2 LEU A 109 19.023 -0.372 3.159 1.00 22.52 H new ATOM 0 HB3 LEU A 109 18.695 -1.639 1.994 1.00 22.52 H new ATOM 0 HG LEU A 109 17.991 -3.132 3.823 1.00 42.21 H new ATOM 0 HD11 LEU A 109 17.588 -2.194 6.051 1.00 2.24 H new ATOM 0 HD12 LEU A 109 19.317 -2.184 5.630 1.00 2.24 H new ATOM 0 HD13 LEU A 109 18.373 -0.677 5.551 1.00 2.24 H new ATOM 0 HD21 LEU A 109 15.884 -1.947 4.302 1.00 31.43 H new ATOM 0 HD22 LEU A 109 16.615 -0.428 3.731 1.00 31.43 H new ATOM 0 HD23 LEU A 109 16.363 -1.776 2.597 1.00 31.43 H new ATOM 1658 N THR A 110 20.779 -4.201 3.867 1.00 52.20 N ATOM 1659 CA THR A 110 20.874 -5.630 3.734 1.00 23.35 C ATOM 1660 C THR A 110 19.711 -6.284 4.460 1.00 15.41 C ATOM 1661 O THR A 110 19.613 -6.225 5.690 1.00 60.44 O ATOM 1662 CB THR A 110 22.216 -6.153 4.289 1.00 12.33 C ATOM 1663 OG1 THR A 110 23.309 -5.493 3.617 1.00 43.13 O ATOM 1664 CG2 THR A 110 22.348 -7.661 4.097 1.00 50.43 C ATOM 0 H THR A 110 20.929 -3.859 4.816 1.00 52.20 H new ATOM 0 HA THR A 110 20.831 -5.885 2.675 1.00 23.35 H new ATOM 0 HB THR A 110 22.245 -5.937 5.357 1.00 12.33 H new ATOM 0 HG1 THR A 110 23.683 -6.091 2.937 1.00 43.13 H new ATOM 0 HG21 THR A 110 23.304 -7.997 4.499 1.00 50.43 H new ATOM 0 HG22 THR A 110 21.537 -8.167 4.621 1.00 50.43 H new ATOM 0 HG23 THR A 110 22.298 -7.898 3.034 1.00 50.43 H new ATOM 1672 N ILE A 111 18.841 -6.891 3.708 1.00 34.31 N ATOM 1673 CA ILE A 111 17.644 -7.502 4.235 1.00 52.11 C ATOM 1674 C ILE A 111 17.686 -8.999 3.981 1.00 72.22 C ATOM 1675 O ILE A 111 18.237 -9.454 2.993 1.00 41.03 O ATOM 1676 CB ILE A 111 16.388 -6.893 3.539 1.00 11.30 C ATOM 1677 CG1 ILE A 111 16.316 -5.378 3.734 1.00 34.32 C ATOM 1678 CG2 ILE A 111 15.079 -7.552 3.964 1.00 53.04 C ATOM 1679 CD1 ILE A 111 16.146 -4.942 5.180 1.00 64.13 C ATOM 0 H ILE A 111 18.939 -6.980 2.697 1.00 34.31 H new ATOM 0 HA ILE A 111 17.587 -7.314 5.307 1.00 52.11 H new ATOM 0 HB ILE A 111 16.512 -7.103 2.477 1.00 11.30 H new ATOM 0 HG12 ILE A 111 17.225 -4.928 3.335 1.00 34.32 H new ATOM 0 HG13 ILE A 111 15.484 -4.987 3.148 1.00 34.32 H new ATOM 0 HG21 ILE A 111 14.247 -7.079 3.441 1.00 53.04 H new ATOM 0 HG22 ILE A 111 15.108 -8.613 3.715 1.00 53.04 H new ATOM 0 HG23 ILE A 111 14.945 -7.435 5.039 1.00 53.04 H new ATOM 0 HD11 ILE A 111 16.104 -3.854 5.229 1.00 64.13 H new ATOM 0 HD12 ILE A 111 15.222 -5.359 5.580 1.00 64.13 H new ATOM 0 HD13 ILE A 111 16.990 -5.300 5.770 1.00 64.13 H new ATOM 1805 N VAL A 120 20.329 -10.361 1.544 1.00 41.41 N ATOM 1806 CA VAL A 120 20.582 -9.682 0.305 1.00 34.32 C ATOM 1807 C VAL A 120 20.891 -8.216 0.564 1.00 33.31 C ATOM 1808 O VAL A 120 20.075 -7.493 1.155 1.00 71.41 O ATOM 1809 CB VAL A 120 19.357 -9.783 -0.657 1.00 44.12 C ATOM 1810 CG1 VAL A 120 19.664 -9.154 -2.011 1.00 55.34 C ATOM 1811 CG2 VAL A 120 18.905 -11.231 -0.829 1.00 52.42 C ATOM 0 HA VAL A 120 21.438 -10.164 -0.167 1.00 34.32 H new ATOM 0 HB VAL A 120 18.539 -9.225 -0.201 1.00 44.12 H new ATOM 0 HG11 VAL A 120 18.791 -9.240 -2.658 1.00 55.34 H new ATOM 0 HG12 VAL A 120 19.913 -8.101 -1.875 1.00 55.34 H new ATOM 0 HG13 VAL A 120 20.508 -9.670 -2.469 1.00 55.34 H new ATOM 0 HG21 VAL A 120 18.050 -11.268 -1.505 1.00 52.42 H new ATOM 0 HG22 VAL A 120 19.722 -11.820 -1.245 1.00 52.42 H new ATOM 0 HG23 VAL A 120 18.619 -11.641 0.140 1.00 52.42 H new ATOM 1821 N SER A 121 22.071 -7.797 0.185 1.00 73.10 N ATOM 1822 CA SER A 121 22.433 -6.409 0.242 1.00 61.33 C ATOM 1823 C SER A 121 21.841 -5.715 -0.977 1.00 54.11 C ATOM 1824 O SER A 121 21.943 -6.234 -2.108 1.00 4.33 O ATOM 1825 CB SER A 121 23.951 -6.257 0.330 1.00 61.14 C ATOM 1826 OG SER A 121 24.442 -6.883 1.525 1.00 30.11 O ATOM 0 H SER A 121 22.805 -8.409 -0.171 1.00 73.10 H new ATOM 0 HA SER A 121 22.030 -5.938 1.138 1.00 61.33 H new ATOM 0 HB2 SER A 121 24.420 -6.707 -0.545 1.00 61.14 H new ATOM 0 HB3 SER A 121 24.219 -5.200 0.327 1.00 61.14 H new ATOM 0 HG SER A 121 25.416 -6.781 1.571 1.00 30.11 H new ATOM 1832 N ASN A 122 21.198 -4.585 -0.725 1.00 43.43 N ATOM 1833 CA ASN A 122 20.412 -3.840 -1.695 1.00 43.35 C ATOM 1834 C ASN A 122 19.105 -4.567 -1.904 1.00 65.31 C ATOM 1835 O ASN A 122 18.916 -5.314 -2.870 1.00 62.33 O ATOM 1836 CB ASN A 122 21.166 -3.531 -3.026 1.00 43.42 C ATOM 1837 CG ASN A 122 20.319 -2.799 -4.076 1.00 75.32 C ATOM 1838 OD1 ASN A 122 20.233 -1.576 -4.075 1.00 25.30 O ATOM 1839 ND2 ASN A 122 19.738 -3.530 -4.996 1.00 10.35 N ATOM 0 H ASN A 122 21.210 -4.146 0.196 1.00 43.43 H new ATOM 0 HA ASN A 122 20.215 -2.847 -1.291 1.00 43.35 H new ATOM 0 HB2 ASN A 122 22.045 -2.927 -2.800 1.00 43.42 H new ATOM 0 HB3 ASN A 122 21.524 -4.468 -3.453 1.00 43.42 H new ATOM 0 HD21 ASN A 122 19.197 -3.083 -5.736 1.00 10.35 H new ATOM 0 HD22 ASN A 122 19.827 -4.546 -4.972 1.00 10.35 H new ATOM 1846 N ALA A 123 18.257 -4.473 -0.907 1.00 4.34 N ATOM 1847 CA ALA A 123 16.983 -5.110 -0.958 1.00 14.43 C ATOM 1848 C ALA A 123 15.882 -4.078 -0.896 1.00 23.23 C ATOM 1849 O ALA A 123 16.131 -2.892 -0.595 1.00 4.21 O ATOM 1850 CB ALA A 123 16.857 -6.107 0.170 1.00 1.12 C ATOM 0 H ALA A 123 18.438 -3.954 -0.048 1.00 4.34 H new ATOM 0 HA ALA A 123 16.890 -5.649 -1.901 1.00 14.43 H new ATOM 0 HB1 ALA A 123 15.880 -6.588 0.123 1.00 1.12 H new ATOM 0 HB2 ALA A 123 17.638 -6.861 0.078 1.00 1.12 H new ATOM 0 HB3 ALA A 123 16.961 -5.591 1.125 1.00 1.12 H new ATOM 1856 N ARG A 124 14.683 -4.513 -1.177 1.00 40.54 N ATOM 1857 CA ARG A 124 13.532 -3.646 -1.182 1.00 10.53 C ATOM 1858 C ARG A 124 12.842 -3.674 0.190 1.00 12.32 C ATOM 1859 O ARG A 124 12.526 -4.749 0.711 1.00 73.12 O ATOM 1860 CB ARG A 124 12.551 -4.063 -2.296 1.00 54.53 C ATOM 1861 CG ARG A 124 12.111 -5.509 -2.198 1.00 64.34 C ATOM 1862 CD ARG A 124 11.122 -5.896 -3.257 1.00 42.21 C ATOM 1863 NE ARG A 124 10.708 -7.290 -3.086 1.00 43.33 N ATOM 1864 CZ ARG A 124 9.558 -7.809 -3.512 1.00 11.10 C ATOM 1865 NH1 ARG A 124 8.693 -7.060 -4.189 1.00 43.54 N ATOM 1866 NH2 ARG A 124 9.286 -9.079 -3.268 1.00 23.31 N ATOM 0 H ARG A 124 14.475 -5.484 -1.410 1.00 40.54 H new ATOM 0 HA ARG A 124 13.860 -2.626 -1.382 1.00 10.53 H new ATOM 0 HB2 ARG A 124 11.672 -3.420 -2.256 1.00 54.53 H new ATOM 0 HB3 ARG A 124 13.022 -3.899 -3.265 1.00 54.53 H new ATOM 0 HG2 ARG A 124 12.986 -6.155 -2.273 1.00 64.34 H new ATOM 0 HG3 ARG A 124 11.670 -5.683 -1.216 1.00 64.34 H new ATOM 0 HD2 ARG A 124 10.251 -5.243 -3.206 1.00 42.21 H new ATOM 0 HD3 ARG A 124 11.565 -5.760 -4.244 1.00 42.21 H new ATOM 0 HE ARG A 124 11.353 -7.914 -2.601 1.00 43.33 H new ATOM 0 HH11 ARG A 124 8.909 -6.082 -4.385 1.00 43.54 H new ATOM 0 HH12 ARG A 124 7.814 -7.463 -4.513 1.00 43.54 H new ATOM 0 HH21 ARG A 124 9.955 -9.655 -2.756 1.00 23.31 H new ATOM 0 HH22 ARG A 124 8.407 -9.484 -3.591 1.00 23.31 H new ATOM 1880 N PRO A 125 12.612 -2.499 0.800 1.00 2.22 N ATOM 1881 CA PRO A 125 11.927 -2.380 2.108 1.00 30.40 C ATOM 1882 C PRO A 125 10.528 -3.043 2.134 1.00 1.12 C ATOM 1883 O PRO A 125 10.024 -3.390 3.199 1.00 74.51 O ATOM 1884 CB PRO A 125 11.809 -0.866 2.307 1.00 10.10 C ATOM 1885 CG PRO A 125 12.928 -0.299 1.514 1.00 75.43 C ATOM 1886 CD PRO A 125 13.049 -1.175 0.303 1.00 3.43 C ATOM 0 HA PRO A 125 12.481 -2.893 2.895 1.00 30.40 H new ATOM 0 HB2 PRO A 125 10.846 -0.494 1.957 1.00 10.10 H new ATOM 0 HB3 PRO A 125 11.892 -0.596 3.360 1.00 10.10 H new ATOM 0 HG2 PRO A 125 12.724 0.734 1.232 1.00 75.43 H new ATOM 0 HG3 PRO A 125 13.854 -0.296 2.089 1.00 75.43 H new ATOM 0 HD2 PRO A 125 12.419 -0.823 -0.514 1.00 3.43 H new ATOM 0 HD3 PRO A 125 14.072 -1.203 -0.073 1.00 3.43 H new ATOM 1894 N VAL A 126 9.928 -3.232 0.955 1.00 65.23 N ATOM 1895 CA VAL A 126 8.610 -3.883 0.837 1.00 72.22 C ATOM 1896 C VAL A 126 8.684 -5.300 1.395 1.00 21.32 C ATOM 1897 O VAL A 126 7.846 -5.731 2.181 1.00 12.21 O ATOM 1898 CB VAL A 126 8.216 -4.053 -0.655 1.00 22.44 C ATOM 1899 CG1 VAL A 126 6.831 -4.623 -0.782 1.00 52.21 C ATOM 1900 CG2 VAL A 126 8.319 -2.774 -1.425 1.00 21.32 C ATOM 0 H VAL A 126 10.332 -2.944 0.064 1.00 65.23 H new ATOM 0 HA VAL A 126 7.893 -3.261 1.373 1.00 72.22 H new ATOM 0 HB VAL A 126 8.932 -4.752 -1.088 1.00 22.44 H new ATOM 0 HG11 VAL A 126 6.578 -4.733 -1.837 1.00 52.21 H new ATOM 0 HG12 VAL A 126 6.793 -5.598 -0.296 1.00 52.21 H new ATOM 0 HG13 VAL A 126 6.116 -3.952 -0.305 1.00 52.21 H new ATOM 0 HG21 VAL A 126 8.032 -2.949 -2.462 1.00 21.32 H new ATOM 0 HG22 VAL A 126 7.654 -2.030 -0.986 1.00 21.32 H new ATOM 0 HG23 VAL A 126 9.346 -2.409 -1.389 1.00 21.32 H new ATOM 1910 N ASP A 127 9.735 -5.980 1.020 1.00 15.55 N ATOM 1911 CA ASP A 127 9.933 -7.359 1.393 1.00 32.34 C ATOM 1912 C ASP A 127 10.271 -7.457 2.864 1.00 55.45 C ATOM 1913 O ASP A 127 9.950 -8.421 3.519 1.00 51.22 O ATOM 1914 CB ASP A 127 10.988 -7.999 0.506 1.00 41.41 C ATOM 1915 CG ASP A 127 11.094 -9.502 0.660 1.00 24.41 C ATOM 1916 OD1 ASP A 127 10.085 -10.223 0.407 1.00 31.23 O ATOM 1917 OD2 ASP A 127 12.207 -9.986 0.896 1.00 24.10 O ATOM 0 H ASP A 127 10.483 -5.593 0.444 1.00 15.55 H new ATOM 0 HA ASP A 127 9.009 -7.916 1.239 1.00 32.34 H new ATOM 0 HB2 ASP A 127 10.763 -7.766 -0.535 1.00 41.41 H new ATOM 0 HB3 ASP A 127 11.956 -7.552 0.731 1.00 41.41 H new ATOM 1922 N ALA A 128 10.903 -6.408 3.375 1.00 60.54 N ATOM 1923 CA ALA A 128 11.280 -6.324 4.773 1.00 34.03 C ATOM 1924 C ALA A 128 10.052 -6.345 5.697 1.00 3.53 C ATOM 1925 O ALA A 128 10.050 -7.047 6.694 1.00 62.25 O ATOM 1926 CB ALA A 128 12.130 -5.088 5.032 1.00 42.31 C ATOM 0 H ALA A 128 11.168 -5.590 2.826 1.00 60.54 H new ATOM 0 HA ALA A 128 11.877 -7.207 5.003 1.00 34.03 H new ATOM 0 HB1 ALA A 128 12.400 -5.047 6.087 1.00 42.31 H new ATOM 0 HB2 ALA A 128 13.035 -5.136 4.427 1.00 42.31 H new ATOM 0 HB3 ALA A 128 11.564 -4.195 4.767 1.00 42.31 H new ATOM 1932 N LEU A 129 8.990 -5.606 5.357 1.00 65.04 N ATOM 1933 CA LEU A 129 7.775 -5.608 6.206 1.00 2.44 C ATOM 1934 C LEU A 129 7.087 -6.956 6.114 1.00 60.11 C ATOM 1935 O LEU A 129 6.570 -7.480 7.097 1.00 53.12 O ATOM 1936 CB LEU A 129 6.819 -4.433 5.861 1.00 44.54 C ATOM 1937 CG LEU A 129 6.160 -4.427 4.476 1.00 63.23 C ATOM 1938 CD1 LEU A 129 4.901 -5.286 4.449 1.00 33.50 C ATOM 1939 CD2 LEU A 129 5.857 -3.022 4.027 1.00 1.14 C ATOM 0 H LEU A 129 8.937 -5.014 4.528 1.00 65.04 H new ATOM 0 HA LEU A 129 8.077 -5.449 7.241 1.00 2.44 H new ATOM 0 HB2 LEU A 129 6.026 -4.416 6.609 1.00 44.54 H new ATOM 0 HB3 LEU A 129 7.379 -3.504 5.969 1.00 44.54 H new ATOM 0 HG LEU A 129 6.873 -4.863 3.776 1.00 63.23 H new ATOM 0 HD11 LEU A 129 4.462 -5.257 3.452 1.00 33.50 H new ATOM 0 HD12 LEU A 129 5.157 -6.315 4.703 1.00 33.50 H new ATOM 0 HD13 LEU A 129 4.183 -4.901 5.173 1.00 33.50 H new ATOM 0 HD21 LEU A 129 5.390 -3.047 3.042 1.00 1.14 H new ATOM 0 HD22 LEU A 129 5.178 -2.551 4.738 1.00 1.14 H new ATOM 0 HD23 LEU A 129 6.783 -2.449 3.975 1.00 1.14 H new ATOM 1951 N HIS A 130 7.165 -7.524 4.929 1.00 74.31 N ATOM 1952 CA HIS A 130 6.634 -8.831 4.598 1.00 61.12 C ATOM 1953 C HIS A 130 7.424 -9.902 5.370 1.00 45.33 C ATOM 1954 O HIS A 130 6.923 -10.982 5.678 1.00 41.42 O ATOM 1955 CB HIS A 130 6.767 -8.987 3.066 1.00 44.10 C ATOM 1956 CG HIS A 130 6.433 -10.317 2.472 1.00 73.24 C ATOM 1957 ND1 HIS A 130 5.178 -10.685 2.042 1.00 74.21 N ATOM 1958 CD2 HIS A 130 7.249 -11.344 2.157 1.00 32.14 C ATOM 1959 CE1 HIS A 130 5.272 -11.888 1.486 1.00 63.14 C ATOM 1960 NE2 HIS A 130 6.512 -12.332 1.530 1.00 44.32 N ATOM 0 H HIS A 130 7.619 -7.069 4.137 1.00 74.31 H new ATOM 0 HA HIS A 130 5.587 -8.945 4.881 1.00 61.12 H new ATOM 0 HB2 HIS A 130 6.128 -8.240 2.596 1.00 44.10 H new ATOM 0 HB3 HIS A 130 7.794 -8.746 2.792 1.00 44.10 H new ATOM 0 HD1 HIS A 130 4.326 -10.132 2.134 1.00 74.21 H new ATOM 0 HD2 HIS A 130 8.309 -11.388 2.362 1.00 32.14 H new ATOM 0 HE1 HIS A 130 4.443 -12.430 1.055 1.00 63.14 H new ATOM 0 HE2 HIS A 130 6.858 -13.223 1.174 1.00 44.32 H new ATOM 1968 N ALA A 131 8.643 -9.556 5.704 1.00 34.03 N ATOM 1969 CA ALA A 131 9.532 -10.423 6.450 1.00 43.44 C ATOM 1970 C ALA A 131 9.506 -10.095 7.945 1.00 62.12 C ATOM 1971 O ALA A 131 10.326 -10.610 8.713 1.00 2.54 O ATOM 1972 CB ALA A 131 10.951 -10.319 5.911 1.00 44.43 C ATOM 0 H ALA A 131 9.054 -8.654 5.464 1.00 34.03 H new ATOM 0 HA ALA A 131 9.181 -11.447 6.325 1.00 43.44 H new ATOM 0 HB1 ALA A 131 11.606 -10.976 6.482 1.00 44.43 H new ATOM 0 HB2 ALA A 131 10.964 -10.615 4.862 1.00 44.43 H new ATOM 0 HB3 ALA A 131 11.300 -9.290 6.002 1.00 44.43 H new ATOM 1978 N HIS A 132 8.565 -9.230 8.337 1.00 32.03 N ATOM 1979 CA HIS A 132 8.361 -8.794 9.743 1.00 23.32 C ATOM 1980 C HIS A 132 9.549 -7.992 10.291 1.00 40.11 C ATOM 1981 O HIS A 132 9.774 -7.894 11.491 1.00 65.34 O ATOM 1982 CB HIS A 132 7.990 -9.971 10.665 1.00 32.01 C ATOM 1983 CG HIS A 132 6.656 -10.587 10.347 1.00 34.52 C ATOM 1984 ND1 HIS A 132 6.475 -11.899 9.977 1.00 62.43 N ATOM 1985 CD2 HIS A 132 5.420 -10.034 10.367 1.00 73.22 C ATOM 1986 CE1 HIS A 132 5.176 -12.099 9.783 1.00 14.45 C ATOM 1987 NE2 HIS A 132 4.484 -10.995 10.008 1.00 73.43 N ATOM 0 H HIS A 132 7.908 -8.801 7.685 1.00 32.03 H new ATOM 0 HA HIS A 132 7.509 -8.114 9.731 1.00 23.32 H new ATOM 0 HB2 HIS A 132 8.762 -10.737 10.591 1.00 32.01 H new ATOM 0 HB3 HIS A 132 7.984 -9.624 11.698 1.00 32.01 H new ATOM 0 HD2 HIS A 132 5.198 -9.008 10.622 1.00 73.22 H new ATOM 0 HE1 HIS A 132 4.742 -13.041 9.481 1.00 14.45 H new ATOM 0 HE2 HIS A 132 3.474 -10.874 9.933 1.00 73.43 H new ATOM 1995 N GLN A 133 10.223 -7.339 9.386 1.00 63.41 N ATOM 1996 CA GLN A 133 11.348 -6.454 9.657 1.00 24.00 C ATOM 1997 C GLN A 133 10.870 -5.027 9.466 1.00 5.43 C ATOM 1998 O GLN A 133 11.643 -4.093 9.223 1.00 13.22 O ATOM 1999 CB GLN A 133 12.510 -6.794 8.746 1.00 40.52 C ATOM 2000 CG GLN A 133 13.034 -8.191 8.988 1.00 20.54 C ATOM 2001 CD GLN A 133 14.018 -8.637 7.956 1.00 23.32 C ATOM 2002 OE1 GLN A 133 14.768 -7.839 7.384 1.00 13.42 O ATOM 2003 NE2 GLN A 133 14.019 -9.907 7.702 1.00 13.32 N ATOM 0 H GLN A 133 10.002 -7.404 8.392 1.00 63.41 H new ATOM 0 HA GLN A 133 11.707 -6.576 10.679 1.00 24.00 H new ATOM 0 HB2 GLN A 133 12.194 -6.701 7.707 1.00 40.52 H new ATOM 0 HB3 GLN A 133 13.314 -6.074 8.901 1.00 40.52 H new ATOM 0 HG2 GLN A 133 13.504 -8.231 9.970 1.00 20.54 H new ATOM 0 HG3 GLN A 133 12.196 -8.888 9.007 1.00 20.54 H new ATOM 0 HE21 GLN A 133 13.381 -10.527 8.200 1.00 13.32 H new ATOM 0 HE22 GLN A 133 14.658 -10.287 7.004 1.00 13.32 H new ATOM 2012 N ALA A 134 9.563 -4.891 9.638 1.00 2.23 N ATOM 2013 CA ALA A 134 8.780 -3.672 9.479 1.00 71.42 C ATOM 2014 C ALA A 134 9.352 -2.499 10.260 1.00 43.00 C ATOM 2015 O ALA A 134 9.113 -1.363 9.906 1.00 0.43 O ATOM 2016 CB ALA A 134 7.340 -3.918 9.867 1.00 72.43 C ATOM 0 H ALA A 134 8.981 -5.683 9.911 1.00 2.23 H new ATOM 0 HA ALA A 134 8.827 -3.399 8.425 1.00 71.42 H new ATOM 0 HB1 ALA A 134 6.768 -2.999 9.743 1.00 72.43 H new ATOM 0 HB2 ALA A 134 6.919 -4.696 9.230 1.00 72.43 H new ATOM 0 HB3 ALA A 134 7.293 -4.237 10.908 1.00 72.43 H new ATOM 2022 N ARG A 135 10.082 -2.788 11.329 1.00 35.42 N ATOM 2023 CA ARG A 135 10.709 -1.762 12.166 1.00 51.14 C ATOM 2024 C ARG A 135 11.578 -0.829 11.305 1.00 64.03 C ATOM 2025 O ARG A 135 11.496 0.387 11.433 1.00 65.14 O ATOM 2026 CB ARG A 135 11.610 -2.432 13.208 1.00 5.31 C ATOM 2027 CG ARG A 135 10.901 -3.341 14.195 1.00 51.23 C ATOM 2028 CD ARG A 135 9.994 -2.558 15.127 1.00 20.51 C ATOM 2029 NE ARG A 135 10.734 -1.530 15.884 1.00 42.11 N ATOM 2030 CZ ARG A 135 11.038 -1.601 17.189 1.00 51.43 C ATOM 2031 NH1 ARG A 135 10.831 -2.731 17.868 1.00 41.31 N ATOM 2032 NH2 ARG A 135 11.591 -0.557 17.798 1.00 74.43 N ATOM 0 H ARG A 135 10.259 -3.742 11.645 1.00 35.42 H new ATOM 0 HA ARG A 135 9.923 -1.186 12.655 1.00 51.14 H new ATOM 0 HB2 ARG A 135 12.370 -3.013 12.686 1.00 5.31 H new ATOM 0 HB3 ARG A 135 12.131 -1.654 13.766 1.00 5.31 H new ATOM 0 HG2 ARG A 135 10.313 -4.081 13.651 1.00 51.23 H new ATOM 0 HG3 ARG A 135 11.639 -3.889 14.781 1.00 51.23 H new ATOM 0 HD2 ARG A 135 9.203 -2.082 14.548 1.00 20.51 H new ATOM 0 HD3 ARG A 135 9.511 -3.243 15.823 1.00 20.51 H new ATOM 0 HE ARG A 135 11.038 -0.700 15.375 1.00 42.11 H new ATOM 0 HH11 ARG A 135 10.440 -3.546 17.395 1.00 41.31 H new ATOM 0 HH12 ARG A 135 11.064 -2.780 18.860 1.00 41.31 H new ATOM 0 HH21 ARG A 135 11.784 0.296 17.273 1.00 74.43 H new ATOM 0 HH22 ARG A 135 11.823 -0.609 18.790 1.00 74.43 H new ATOM 2046 N GLU A 136 12.341 -1.406 10.376 1.00 34.14 N ATOM 2047 CA GLU A 136 13.200 -0.624 9.480 1.00 30.11 C ATOM 2048 C GLU A 136 12.374 0.168 8.471 1.00 53.43 C ATOM 2049 O GLU A 136 12.792 1.233 7.999 1.00 45.33 O ATOM 2050 CB GLU A 136 14.202 -1.523 8.751 1.00 52.32 C ATOM 2051 CG GLU A 136 15.330 -2.038 9.628 1.00 53.31 C ATOM 2052 CD GLU A 136 16.182 -0.911 10.171 1.00 1.15 C ATOM 2053 OE1 GLU A 136 16.794 -0.185 9.382 1.00 43.21 O ATOM 2054 OE2 GLU A 136 16.266 -0.745 11.412 1.00 43.54 O ATOM 0 H GLU A 136 12.383 -2.414 10.223 1.00 34.14 H new ATOM 0 HA GLU A 136 13.755 0.082 10.098 1.00 30.11 H new ATOM 0 HB2 GLU A 136 13.668 -2.374 8.328 1.00 52.32 H new ATOM 0 HB3 GLU A 136 14.630 -0.968 7.916 1.00 52.32 H new ATOM 0 HG2 GLU A 136 14.913 -2.610 10.457 1.00 53.31 H new ATOM 0 HG3 GLU A 136 15.955 -2.721 9.052 1.00 53.31 H new ATOM 2061 N VAL A 137 11.208 -0.351 8.162 1.00 1.01 N ATOM 2062 CA VAL A 137 10.284 0.283 7.236 1.00 43.22 C ATOM 2063 C VAL A 137 9.644 1.496 7.897 1.00 0.13 C ATOM 2064 O VAL A 137 9.649 2.596 7.341 1.00 60.44 O ATOM 2065 CB VAL A 137 9.190 -0.714 6.779 1.00 53.22 C ATOM 2066 CG1 VAL A 137 8.167 -0.044 5.877 1.00 52.12 C ATOM 2067 CG2 VAL A 137 9.829 -1.901 6.078 1.00 33.13 C ATOM 0 H VAL A 137 10.867 -1.232 8.547 1.00 1.01 H new ATOM 0 HA VAL A 137 10.841 0.604 6.356 1.00 43.22 H new ATOM 0 HB VAL A 137 8.662 -1.067 7.664 1.00 53.22 H new ATOM 0 HG11 VAL A 137 7.415 -0.773 5.576 1.00 52.12 H new ATOM 0 HG12 VAL A 137 7.686 0.772 6.416 1.00 52.12 H new ATOM 0 HG13 VAL A 137 8.666 0.350 4.991 1.00 52.12 H new ATOM 0 HG21 VAL A 137 9.053 -2.597 5.760 1.00 33.13 H new ATOM 0 HG22 VAL A 137 10.384 -1.553 5.207 1.00 33.13 H new ATOM 0 HG23 VAL A 137 10.510 -2.405 6.764 1.00 33.13 H new ATOM 2077 N VAL A 138 9.137 1.285 9.108 1.00 45.42 N ATOM 2078 CA VAL A 138 8.534 2.338 9.916 1.00 22.21 C ATOM 2079 C VAL A 138 9.562 3.430 10.159 1.00 1.14 C ATOM 2080 O VAL A 138 9.262 4.602 10.063 1.00 1.44 O ATOM 2081 CB VAL A 138 7.976 1.808 11.272 1.00 61.24 C ATOM 2082 CG1 VAL A 138 7.373 2.945 12.095 1.00 41.43 C ATOM 2083 CG2 VAL A 138 6.925 0.730 11.034 1.00 5.04 C ATOM 0 H VAL A 138 9.134 0.370 9.559 1.00 45.42 H new ATOM 0 HA VAL A 138 7.683 2.737 9.364 1.00 22.21 H new ATOM 0 HB VAL A 138 8.807 1.377 11.830 1.00 61.24 H new ATOM 0 HG11 VAL A 138 6.991 2.550 13.036 1.00 41.43 H new ATOM 0 HG12 VAL A 138 8.140 3.692 12.300 1.00 41.43 H new ATOM 0 HG13 VAL A 138 6.558 3.405 11.537 1.00 41.43 H new ATOM 0 HG21 VAL A 138 6.547 0.372 11.992 1.00 5.04 H new ATOM 0 HG22 VAL A 138 6.103 1.146 10.452 1.00 5.04 H new ATOM 0 HG23 VAL A 138 7.373 -0.100 10.488 1.00 5.04 H new ATOM 2093 N ARG A 139 10.782 3.005 10.425 1.00 70.43 N ATOM 2094 CA ARG A 139 11.915 3.890 10.660 1.00 43.22 C ATOM 2095 C ARG A 139 12.107 4.842 9.455 1.00 63.45 C ATOM 2096 O ARG A 139 12.231 6.062 9.621 1.00 41.32 O ATOM 2097 CB ARG A 139 13.147 3.006 10.844 1.00 32.23 C ATOM 2098 CG ARG A 139 14.434 3.709 11.169 1.00 14.01 C ATOM 2099 CD ARG A 139 15.548 2.692 11.318 1.00 63.30 C ATOM 2100 NE ARG A 139 16.790 3.312 11.722 1.00 63.24 N ATOM 2101 CZ ARG A 139 17.855 2.673 12.205 1.00 74.30 C ATOM 2102 NH1 ARG A 139 17.904 1.329 12.226 1.00 20.44 N ATOM 2103 NH2 ARG A 139 18.898 3.381 12.619 1.00 31.12 N ATOM 0 H ARG A 139 11.022 2.015 10.486 1.00 70.43 H new ATOM 0 HA ARG A 139 11.750 4.506 11.544 1.00 43.22 H new ATOM 0 HB2 ARG A 139 12.938 2.291 11.640 1.00 32.23 H new ATOM 0 HB3 ARG A 139 13.294 2.431 9.930 1.00 32.23 H new ATOM 0 HG2 ARG A 139 14.681 4.420 10.380 1.00 14.01 H new ATOM 0 HG3 ARG A 139 14.325 4.281 12.091 1.00 14.01 H new ATOM 0 HD2 ARG A 139 15.260 1.942 12.055 1.00 63.30 H new ATOM 0 HD3 ARG A 139 15.693 2.170 10.372 1.00 63.30 H new ATOM 0 HE ARG A 139 16.857 4.326 11.629 1.00 63.24 H new ATOM 0 HH11 ARG A 139 17.119 0.784 11.869 1.00 20.44 H new ATOM 0 HH12 ARG A 139 18.726 0.854 12.599 1.00 20.44 H new ATOM 0 HH21 ARG A 139 18.877 4.399 12.565 1.00 31.12 H new ATOM 0 HH22 ARG A 139 19.721 2.907 12.991 1.00 31.12 H new ATOM 2117 N ARG A 140 12.070 4.286 8.245 1.00 34.11 N ATOM 2118 CA ARG A 140 12.164 5.100 7.037 1.00 72.21 C ATOM 2119 C ARG A 140 10.939 5.976 6.849 1.00 72.51 C ATOM 2120 O ARG A 140 11.044 7.120 6.411 1.00 12.45 O ATOM 2121 CB ARG A 140 12.406 4.257 5.801 1.00 54.12 C ATOM 2122 CG ARG A 140 13.824 3.756 5.714 1.00 42.20 C ATOM 2123 CD ARG A 140 14.063 2.980 4.448 1.00 62.05 C ATOM 2124 NE ARG A 140 13.757 3.768 3.231 1.00 11.40 N ATOM 2125 CZ ARG A 140 14.196 3.488 1.991 1.00 42.04 C ATOM 2126 NH1 ARG A 140 15.075 2.504 1.786 1.00 31.15 N ATOM 2127 NH2 ARG A 140 13.775 4.217 0.967 1.00 32.04 N ATOM 0 H ARG A 140 11.976 3.284 8.077 1.00 34.11 H new ATOM 0 HA ARG A 140 13.028 5.751 7.173 1.00 72.21 H new ATOM 0 HB2 ARG A 140 11.723 3.407 5.805 1.00 54.12 H new ATOM 0 HB3 ARG A 140 12.177 4.846 4.913 1.00 54.12 H new ATOM 0 HG2 ARG A 140 14.512 4.600 5.759 1.00 42.20 H new ATOM 0 HG3 ARG A 140 14.040 3.123 6.575 1.00 42.20 H new ATOM 0 HD2 ARG A 140 15.103 2.657 4.415 1.00 62.05 H new ATOM 0 HD3 ARG A 140 13.449 2.079 4.457 1.00 62.05 H new ATOM 0 HE ARG A 140 13.165 4.591 3.343 1.00 11.40 H new ATOM 0 HH11 ARG A 140 15.420 1.956 2.574 1.00 31.15 H new ATOM 0 HH12 ARG A 140 15.401 2.300 0.841 1.00 31.15 H new ATOM 0 HH21 ARG A 140 13.122 4.985 1.122 1.00 32.04 H new ATOM 0 HH22 ARG A 140 14.104 4.010 0.024 1.00 32.04 H new ATOM 2141 N ALA A 141 9.782 5.444 7.198 1.00 1.34 N ATOM 2142 CA ALA A 141 8.526 6.173 7.106 1.00 32.42 C ATOM 2143 C ALA A 141 8.542 7.390 8.025 1.00 11.11 C ATOM 2144 O ALA A 141 8.089 8.469 7.643 1.00 20.04 O ATOM 2145 CB ALA A 141 7.370 5.267 7.449 1.00 72.21 C ATOM 0 H ALA A 141 9.684 4.493 7.554 1.00 1.34 H new ATOM 0 HA ALA A 141 8.403 6.522 6.081 1.00 32.42 H new ATOM 0 HB1 ALA A 141 6.436 5.825 7.376 1.00 72.21 H new ATOM 0 HB2 ALA A 141 7.346 4.428 6.754 1.00 72.21 H new ATOM 0 HB3 ALA A 141 7.491 4.892 8.465 1.00 72.21 H new ATOM 2151 N GLN A 142 9.081 7.213 9.225 1.00 30.53 N ATOM 2152 CA GLN A 142 9.246 8.302 10.189 1.00 11.23 C ATOM 2153 C GLN A 142 10.120 9.395 9.607 1.00 43.23 C ATOM 2154 O GLN A 142 9.862 10.572 9.809 1.00 5.04 O ATOM 2155 CB GLN A 142 9.877 7.806 11.484 1.00 32.11 C ATOM 2156 CG GLN A 142 9.062 6.780 12.236 1.00 50.30 C ATOM 2157 CD GLN A 142 9.784 6.268 13.458 1.00 60.44 C ATOM 2158 OE1 GLN A 142 11.019 6.228 13.503 1.00 63.14 O ATOM 2159 NE2 GLN A 142 9.048 5.882 14.450 1.00 73.22 N ATOM 0 H GLN A 142 9.417 6.311 9.561 1.00 30.53 H new ATOM 0 HA GLN A 142 8.253 8.696 10.407 1.00 11.23 H new ATOM 0 HB2 GLN A 142 10.852 7.377 11.255 1.00 32.11 H new ATOM 0 HB3 GLN A 142 10.050 8.661 12.137 1.00 32.11 H new ATOM 0 HG2 GLN A 142 8.111 7.221 12.535 1.00 50.30 H new ATOM 0 HG3 GLN A 142 8.832 5.945 11.575 1.00 50.30 H new ATOM 0 HE21 GLN A 142 8.032 5.929 14.379 1.00 73.22 H new ATOM 0 HE22 GLN A 142 9.484 5.531 15.303 1.00 73.22 H new ATOM 2168 N ALA A 143 11.150 8.997 8.880 1.00 72.25 N ATOM 2169 CA ALA A 143 12.055 9.945 8.239 1.00 31.23 C ATOM 2170 C ALA A 143 11.349 10.696 7.103 1.00 74.45 C ATOM 2171 O ALA A 143 11.699 11.833 6.783 1.00 63.11 O ATOM 2172 CB ALA A 143 13.302 9.235 7.727 1.00 23.31 C ATOM 0 H ALA A 143 11.384 8.018 8.716 1.00 72.25 H new ATOM 0 HA ALA A 143 12.362 10.678 8.985 1.00 31.23 H new ATOM 0 HB1 ALA A 143 13.964 9.959 7.252 1.00 23.31 H new ATOM 0 HB2 ALA A 143 13.820 8.762 8.561 1.00 23.31 H new ATOM 0 HB3 ALA A 143 13.015 8.475 7.000 1.00 23.31 H new ATOM 2178 N MET A 144 10.352 10.064 6.512 1.00 65.52 N ATOM 2179 CA MET A 144 9.597 10.682 5.432 1.00 4.23 C ATOM 2180 C MET A 144 8.519 11.602 5.992 1.00 41.51 C ATOM 2181 O MET A 144 8.288 12.692 5.479 1.00 40.33 O ATOM 2182 CB MET A 144 8.938 9.632 4.517 1.00 43.31 C ATOM 2183 CG MET A 144 9.897 8.636 3.873 1.00 51.03 C ATOM 2184 SD MET A 144 11.232 9.408 2.928 1.00 72.11 S ATOM 2185 CE MET A 144 10.314 10.307 1.669 1.00 20.52 C ATOM 0 H MET A 144 10.044 9.124 6.760 1.00 65.52 H new ATOM 0 HA MET A 144 10.306 11.260 4.839 1.00 4.23 H new ATOM 0 HB2 MET A 144 8.201 9.078 5.099 1.00 43.31 H new ATOM 0 HB3 MET A 144 8.395 10.152 3.727 1.00 43.31 H new ATOM 0 HG2 MET A 144 10.332 8.010 4.652 1.00 51.03 H new ATOM 0 HG3 MET A 144 9.332 7.978 3.213 1.00 51.03 H new ATOM 0 HE1 MET A 144 11.006 10.698 0.923 1.00 20.52 H new ATOM 0 HE2 MET A 144 9.603 9.635 1.188 1.00 20.52 H new ATOM 0 HE3 MET A 144 9.775 11.134 2.132 1.00 20.52 H new ATOM 2195 N ALA A 145 7.862 11.162 7.037 1.00 62.44 N ATOM 2196 CA ALA A 145 6.780 11.925 7.629 1.00 44.40 C ATOM 2197 C ALA A 145 7.288 13.086 8.469 1.00 60.04 C ATOM 2198 O ALA A 145 6.874 14.232 8.272 1.00 72.33 O ATOM 2199 CB ALA A 145 5.863 11.027 8.442 1.00 22.43 C ATOM 0 H ALA A 145 8.056 10.274 7.501 1.00 62.44 H new ATOM 0 HA ALA A 145 6.204 12.352 6.808 1.00 44.40 H new ATOM 0 HB1 ALA A 145 5.060 11.623 8.875 1.00 22.43 H new ATOM 0 HB2 ALA A 145 5.437 10.260 7.795 1.00 22.43 H new ATOM 0 HB3 ALA A 145 6.433 10.552 9.240 1.00 22.43 H new ATOM 2205 N TYR A 146 8.195 12.800 9.372 1.00 52.42 N ATOM 2206 CA TYR A 146 8.704 13.804 10.270 1.00 72.22 C ATOM 2207 C TYR A 146 10.047 14.283 9.764 1.00 63.52 C ATOM 2208 O TYR A 146 10.071 15.102 8.834 1.00 37.95 O ATOM 2209 CB TYR A 146 8.833 13.229 11.690 1.00 1.42 C ATOM 2210 CG TYR A 146 7.544 12.646 12.223 1.00 74.53 C ATOM 2211 CD1 TYR A 146 6.531 13.465 12.686 1.00 72.55 C ATOM 2212 CD2 TYR A 146 7.340 11.274 12.252 1.00 70.02 C ATOM 2213 CE1 TYR A 146 5.349 12.939 13.160 1.00 21.13 C ATOM 2214 CE2 TYR A 146 6.162 10.741 12.727 1.00 53.33 C ATOM 2215 CZ TYR A 146 5.170 11.581 13.179 1.00 34.15 C ATOM 2216 OH TYR A 146 3.983 11.055 13.649 1.00 55.52 O ATOM 2217 OXT TYR A 146 11.093 13.823 10.272 1.00 37.95 O ATOM 0 H TYR A 146 8.597 11.872 9.503 1.00 52.42 H new ATOM 0 HA TYR A 146 8.014 14.647 10.308 1.00 72.22 H new ATOM 0 HB2 TYR A 146 9.601 12.455 11.692 1.00 1.42 H new ATOM 0 HB3 TYR A 146 9.172 14.016 12.363 1.00 1.42 H new ATOM 0 HD1 TYR A 146 6.669 14.536 12.676 1.00 72.55 H new ATOM 0 HD2 TYR A 146 8.117 10.613 11.897 1.00 70.02 H new ATOM 0 HE1 TYR A 146 4.567 13.594 13.515 1.00 21.13 H new ATOM 0 HE2 TYR A 146 6.018 9.671 12.745 1.00 53.33 H new ATOM 0 HH TYR A 146 3.262 11.705 13.517 1.00 55.52 H new