USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0154 (180deg=-0.255) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -123:sc= -7.87! (180deg=-10.2!) USER MOD Single : A 38 GLN : amide:sc= -0.431 K(o=-0.43,f=-2.7!) USER MOD Single : A 39 ASN : amide:sc= -1.95! C(o=-1.9!,f=-7.7!) USER MOD Single : A 44 HIS : no HD1:sc= -0.596 K(o=-0.6,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.7!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0634 USER MOD Single : A 59 THR OG1 : rot 90:sc= 0.367 USER MOD Single : A 63 TYR OH : rot -40:sc= 1.18 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.897 K(o=-0.9,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0.00642 X(o=0.0064,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 171:sc= -1.02 (180deg=-1.27) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 90 GLN :FLIP amide:sc= 0.549 F(o=-0.88,f=0.55) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 106:sc= 0.559 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.262 48.274 69.047 1.00 2.34 N ATOM 249 CA LYS A 17 15.348 46.913 68.529 1.00 52.14 C ATOM 250 C LYS A 17 13.964 46.370 68.192 1.00 70.31 C ATOM 251 O LYS A 17 12.954 47.039 68.412 1.00 53.33 O ATOM 252 CB LYS A 17 16.031 46.000 69.550 1.00 61.42 C ATOM 253 CG LYS A 17 17.330 46.565 70.098 1.00 44.51 C ATOM 254 CD LYS A 17 17.924 45.662 71.166 1.00 41.21 C ATOM 255 CE LYS A 17 18.742 44.536 70.553 1.00 50.54 C ATOM 256 NZ LYS A 17 20.009 45.035 69.950 1.00 73.54 N ATOM 0 HA LYS A 17 15.942 46.936 67.615 1.00 52.14 H new ATOM 0 HB2 LYS A 17 15.346 45.818 70.378 1.00 61.42 H new ATOM 0 HB3 LYS A 17 16.232 45.035 69.085 1.00 61.42 H new ATOM 0 HG2 LYS A 17 18.046 46.688 69.285 1.00 44.51 H new ATOM 0 HG3 LYS A 17 17.149 47.555 70.517 1.00 44.51 H new ATOM 0 HD2 LYS A 17 18.555 46.251 71.832 1.00 41.21 H new ATOM 0 HD3 LYS A 17 17.124 45.242 71.775 1.00 41.21 H new ATOM 0 HE2 LYS A 17 18.972 43.795 71.319 1.00 50.54 H new ATOM 0 HE3 LYS A 17 18.150 44.032 69.789 1.00 50.54 H new ATOM 0 HZ1 LYS A 17 20.674 44.244 69.836 1.00 73.54 H new ATOM 0 HZ2 LYS A 17 19.809 45.456 69.020 1.00 73.54 H new ATOM 0 HZ3 LYS A 17 20.430 45.754 70.572 1.00 73.54 H new ATOM 270 N TRP A 18 13.924 45.155 67.657 1.00 62.35 N ATOM 271 CA TRP A 18 12.662 44.523 67.291 1.00 45.20 C ATOM 272 C TRP A 18 11.824 44.223 68.528 1.00 53.31 C ATOM 273 O TRP A 18 12.273 44.422 69.658 1.00 22.32 O ATOM 274 CB TRP A 18 12.923 43.233 66.511 1.00 22.02 C ATOM 275 CG TRP A 18 14.125 43.309 65.619 1.00 50.15 C ATOM 276 CD1 TRP A 18 14.579 44.410 64.949 1.00 3.21 C ATOM 277 CD2 TRP A 18 15.025 42.242 65.301 1.00 71.24 C ATOM 278 NE1 TRP A 18 15.708 44.090 64.233 1.00 61.14 N ATOM 279 CE2 TRP A 18 16.002 42.768 64.433 1.00 65.00 C ATOM 280 CE3 TRP A 18 15.103 40.896 65.667 1.00 12.04 C ATOM 281 CZ2 TRP A 18 17.041 41.991 63.925 1.00 42.10 C ATOM 282 CZ3 TRP A 18 16.133 40.127 65.162 1.00 61.43 C ATOM 283 CH2 TRP A 18 17.092 40.675 64.299 1.00 74.44 C ATOM 0 H TRP A 18 14.750 44.588 67.467 1.00 62.35 H new ATOM 0 HA TRP A 18 12.106 45.216 66.659 1.00 45.20 H new ATOM 0 HB2 TRP A 18 13.054 42.412 67.215 1.00 22.02 H new ATOM 0 HB3 TRP A 18 12.046 42.999 65.907 1.00 22.02 H new ATOM 0 HD1 TRP A 18 14.119 45.387 64.978 1.00 3.21 H new ATOM 0 HE1 TRP A 18 16.240 44.733 63.647 1.00 61.14 H new ATOM 0 HE3 TRP A 18 14.371 40.464 66.333 1.00 12.04 H new ATOM 0 HZ2 TRP A 18 17.780 42.412 63.260 1.00 42.10 H new ATOM 0 HZ3 TRP A 18 16.201 39.085 65.437 1.00 61.43 H new ATOM 0 HH2 TRP A 18 17.886 40.047 63.922 1.00 74.44 H new ATOM 294 N LEU A 19 10.605 43.743 68.309 1.00 55.02 N ATOM 295 CA LEU A 19 9.703 43.415 69.408 1.00 74.22 C ATOM 296 C LEU A 19 10.080 42.080 70.042 1.00 31.24 C ATOM 297 O LEU A 19 9.905 41.880 71.243 1.00 52.43 O ATOM 298 CB LEU A 19 8.258 43.367 68.911 1.00 35.02 C ATOM 299 CG LEU A 19 7.361 44.530 69.339 1.00 41.54 C ATOM 300 CD1 LEU A 19 7.169 44.527 70.849 1.00 24.15 C ATOM 301 CD2 LEU A 19 7.949 45.854 68.878 1.00 63.35 C ATOM 0 H LEU A 19 10.218 43.572 67.381 1.00 55.02 H new ATOM 0 HA LEU A 19 9.794 44.194 70.165 1.00 74.22 H new ATOM 0 HB2 LEU A 19 8.271 43.326 67.822 1.00 35.02 H new ATOM 0 HB3 LEU A 19 7.806 42.438 69.259 1.00 35.02 H new ATOM 0 HG LEU A 19 6.386 44.405 68.868 1.00 41.54 H new ATOM 0 HD11 LEU A 19 6.528 45.361 71.136 1.00 24.15 H new ATOM 0 HD12 LEU A 19 6.704 43.590 71.155 1.00 24.15 H new ATOM 0 HD13 LEU A 19 8.137 44.628 71.339 1.00 24.15 H new ATOM 0 HD21 LEU A 19 7.298 46.670 69.191 1.00 63.35 H new ATOM 0 HD22 LEU A 19 8.936 45.987 69.320 1.00 63.35 H new ATOM 0 HD23 LEU A 19 8.035 45.855 67.791 1.00 63.35 H new ATOM 313 N ASP A 20 10.598 41.169 69.226 1.00 24.44 N ATOM 314 CA ASP A 20 11.002 39.853 69.705 1.00 42.25 C ATOM 315 C ASP A 20 11.580 39.942 71.115 1.00 60.54 C ATOM 316 O ASP A 20 11.213 39.170 71.998 1.00 30.43 O ATOM 317 CB ASP A 20 12.032 39.235 68.758 1.00 1.32 C ATOM 318 CG ASP A 20 11.765 37.766 68.492 1.00 12.44 C ATOM 319 OD1 ASP A 20 10.597 37.415 68.225 1.00 22.04 O ATOM 320 OD2 ASP A 20 12.724 36.968 68.553 1.00 64.30 O ATOM 0 H ASP A 20 10.748 41.318 68.228 1.00 24.44 H new ATOM 0 HA ASP A 20 10.117 39.217 69.732 1.00 42.25 H new ATOM 0 HB2 ASP A 20 12.026 39.779 67.814 1.00 1.32 H new ATOM 0 HB3 ASP A 20 13.028 39.349 69.185 1.00 1.32 H new ATOM 325 N GLY A 21 12.489 40.892 71.317 1.00 42.22 N ATOM 326 CA GLY A 21 13.104 41.065 72.620 1.00 21.33 C ATOM 327 C GLY A 21 13.901 42.350 72.720 1.00 65.30 C ATOM 328 O GLY A 21 14.239 42.961 71.704 1.00 3.43 O ATOM 0 H GLY A 21 12.810 41.544 70.602 1.00 42.22 H new ATOM 0 HA2 GLY A 21 12.330 41.061 73.387 1.00 21.33 H new ATOM 0 HA3 GLY A 21 13.759 40.218 72.824 1.00 21.33 H new ATOM 332 N LEU A 22 14.201 42.766 73.945 1.00 1.51 N ATOM 333 CA LEU A 22 14.962 43.988 74.174 1.00 73.25 C ATOM 334 C LEU A 22 15.713 43.924 75.500 1.00 10.32 C ATOM 335 O LEU A 22 15.105 43.784 76.562 1.00 62.15 O ATOM 336 CB LEU A 22 14.031 45.202 74.161 1.00 32.52 C ATOM 337 CG LEU A 22 14.263 46.215 73.040 1.00 22.30 C ATOM 338 CD1 LEU A 22 12.984 46.437 72.248 1.00 70.35 C ATOM 339 CD2 LEU A 22 14.778 47.530 73.606 1.00 51.34 C ATOM 0 H LEU A 22 13.928 42.274 74.796 1.00 1.51 H new ATOM 0 HA LEU A 22 15.691 44.087 73.370 1.00 73.25 H new ATOM 0 HB2 LEU A 22 13.003 44.845 74.094 1.00 32.52 H new ATOM 0 HB3 LEU A 22 14.128 45.719 75.116 1.00 32.52 H new ATOM 0 HG LEU A 22 15.019 45.814 72.365 1.00 22.30 H new ATOM 0 HD11 LEU A 22 13.169 47.161 71.454 1.00 70.35 H new ATOM 0 HD12 LEU A 22 12.659 45.493 71.810 1.00 70.35 H new ATOM 0 HD13 LEU A 22 12.206 46.816 72.911 1.00 70.35 H new ATOM 0 HD21 LEU A 22 14.937 48.238 72.793 1.00 51.34 H new ATOM 0 HD22 LEU A 22 14.046 47.937 74.304 1.00 51.34 H new ATOM 0 HD23 LEU A 22 15.720 47.358 74.127 1.00 51.34 H new ATOM 351 N ARG A 23 17.036 44.026 75.431 1.00 75.31 N ATOM 352 CA ARG A 23 17.869 43.980 76.627 1.00 23.01 C ATOM 353 C ARG A 23 17.767 45.285 77.412 1.00 35.32 C ATOM 354 O ARG A 23 17.387 45.288 78.583 1.00 64.14 O ATOM 355 CB ARG A 23 19.326 43.713 76.248 1.00 42.34 C ATOM 356 CG ARG A 23 19.930 42.512 76.958 1.00 32.10 C ATOM 357 CD ARG A 23 21.356 42.251 76.496 1.00 32.02 C ATOM 358 NE ARG A 23 22.340 42.778 77.437 1.00 42.31 N ATOM 359 CZ ARG A 23 22.643 42.191 78.590 1.00 3.11 C ATOM 360 NH1 ARG A 23 22.041 41.063 78.941 1.00 12.41 N ATOM 361 NH2 ARG A 23 23.551 42.731 79.393 1.00 61.41 N ATOM 0 H ARG A 23 17.554 44.141 74.560 1.00 75.31 H new ATOM 0 HA ARG A 23 17.510 43.168 77.259 1.00 23.01 H new ATOM 0 HB2 ARG A 23 19.390 43.558 75.171 1.00 42.34 H new ATOM 0 HB3 ARG A 23 19.920 44.597 76.478 1.00 42.34 H new ATOM 0 HG2 ARG A 23 19.920 42.682 78.035 1.00 32.10 H new ATOM 0 HG3 ARG A 23 19.318 41.630 76.769 1.00 32.10 H new ATOM 0 HD2 ARG A 23 21.508 41.178 76.375 1.00 32.02 H new ATOM 0 HD3 ARG A 23 21.509 42.707 75.518 1.00 32.02 H new ATOM 0 HE ARG A 23 22.821 43.644 77.196 1.00 42.31 H new ATOM 0 HH11 ARG A 23 21.344 40.644 78.326 1.00 12.41 H new ATOM 0 HH12 ARG A 23 22.275 40.614 79.826 1.00 12.41 H new ATOM 0 HH21 ARG A 23 24.017 43.598 79.126 1.00 61.41 H new ATOM 0 HH22 ARG A 23 23.783 42.279 80.278 1.00 61.41 H new ATOM 449 N GLN A 30 6.078 52.418 77.803 1.00 54.42 N ATOM 450 CA GLN A 30 5.305 52.501 76.570 1.00 30.33 C ATOM 451 C GLN A 30 6.191 52.911 75.398 1.00 35.00 C ATOM 452 O GLN A 30 5.699 53.351 74.360 1.00 72.52 O ATOM 453 CB GLN A 30 4.155 53.497 76.729 1.00 72.15 C ATOM 454 CG GLN A 30 2.782 52.845 76.743 1.00 34.32 C ATOM 455 CD GLN A 30 2.494 52.119 78.043 1.00 24.44 C ATOM 456 OE1 GLN A 30 2.178 52.739 79.058 1.00 64.20 O ATOM 457 NE2 GLN A 30 2.602 50.795 78.017 1.00 73.52 N ATOM 0 HA GLN A 30 4.894 51.513 76.362 1.00 30.33 H new ATOM 0 HB2 GLN A 30 4.293 54.053 77.656 1.00 72.15 H new ATOM 0 HB3 GLN A 30 4.196 54.220 75.914 1.00 72.15 H new ATOM 0 HG2 GLN A 30 2.020 53.607 76.581 1.00 34.32 H new ATOM 0 HG3 GLN A 30 2.710 52.141 75.914 1.00 34.32 H new ATOM 0 HE21 GLN A 30 2.867 50.322 77.153 1.00 73.52 H new ATOM 0 HE22 GLN A 30 2.420 50.252 78.861 1.00 73.52 H new ATOM 466 N GLY A 31 7.500 52.766 75.573 1.00 50.34 N ATOM 467 CA GLY A 31 8.434 53.126 74.523 1.00 61.23 C ATOM 468 C GLY A 31 8.217 52.326 73.254 1.00 74.54 C ATOM 469 O GLY A 31 8.676 52.716 72.181 1.00 65.22 O ATOM 0 H GLY A 31 7.931 52.405 76.424 1.00 50.34 H new ATOM 0 HA2 GLY A 31 8.334 54.188 74.301 1.00 61.23 H new ATOM 0 HA3 GLY A 31 9.453 52.969 74.878 1.00 61.23 H new ATOM 473 N ASP A 32 7.518 51.204 73.377 1.00 52.23 N ATOM 474 CA ASP A 32 7.241 50.345 72.232 1.00 62.33 C ATOM 475 C ASP A 32 6.255 51.014 71.278 1.00 3.32 C ATOM 476 O ASP A 32 6.554 51.218 70.102 1.00 3.12 O ATOM 477 CB ASP A 32 6.687 48.999 72.698 1.00 22.32 C ATOM 478 CG ASP A 32 6.059 48.208 71.567 1.00 23.34 C ATOM 479 OD1 ASP A 32 6.808 47.747 70.680 1.00 32.25 O ATOM 480 OD2 ASP A 32 4.821 48.051 71.568 1.00 32.25 O ATOM 0 H ASP A 32 7.132 50.867 74.259 1.00 52.23 H new ATOM 0 HA ASP A 32 8.177 50.177 71.700 1.00 62.33 H new ATOM 0 HB2 ASP A 32 7.491 48.413 73.144 1.00 22.32 H new ATOM 0 HB3 ASP A 32 5.943 49.166 73.477 1.00 22.32 H new ATOM 485 N VAL A 33 5.077 51.350 71.793 1.00 53.42 N ATOM 486 CA VAL A 33 4.047 51.994 70.988 1.00 34.25 C ATOM 487 C VAL A 33 4.281 53.498 70.895 1.00 45.42 C ATOM 488 O VAL A 33 3.884 54.141 69.924 1.00 30.25 O ATOM 489 CB VAL A 33 2.641 51.740 71.567 1.00 64.32 C ATOM 490 CG1 VAL A 33 2.268 50.271 71.437 1.00 35.10 C ATOM 491 CG2 VAL A 33 2.575 52.190 73.018 1.00 15.01 C ATOM 0 H VAL A 33 4.812 51.187 72.764 1.00 53.42 H new ATOM 0 HA VAL A 33 4.107 51.557 69.991 1.00 34.25 H new ATOM 0 HB VAL A 33 1.919 52.324 70.996 1.00 64.32 H new ATOM 0 HG11 VAL A 33 1.273 50.110 71.851 1.00 35.10 H new ATOM 0 HG12 VAL A 33 2.274 49.986 70.385 1.00 35.10 H new ATOM 0 HG13 VAL A 33 2.990 49.663 71.982 1.00 35.10 H new ATOM 0 HG21 VAL A 33 1.576 52.004 73.412 1.00 15.01 H new ATOM 0 HG22 VAL A 33 3.306 51.634 73.605 1.00 15.01 H new ATOM 0 HG23 VAL A 33 2.796 53.256 73.079 1.00 15.01 H new ATOM 501 N LYS A 34 4.931 54.053 71.913 1.00 21.53 N ATOM 502 CA LYS A 34 5.222 55.481 71.947 1.00 62.55 C ATOM 503 C LYS A 34 5.926 55.924 70.668 1.00 3.12 C ATOM 504 O LYS A 34 5.696 57.027 70.170 1.00 44.52 O ATOM 505 CB LYS A 34 6.090 55.818 73.161 1.00 5.42 C ATOM 506 CG LYS A 34 6.761 57.177 73.072 1.00 12.01 C ATOM 507 CD LYS A 34 7.172 57.687 74.443 1.00 55.41 C ATOM 508 CE LYS A 34 8.669 57.537 74.669 1.00 13.23 C ATOM 509 NZ LYS A 34 9.061 57.909 76.056 1.00 60.33 N ATOM 0 H LYS A 34 5.266 53.535 72.725 1.00 21.53 H new ATOM 0 HA LYS A 34 4.276 56.016 72.025 1.00 62.55 H new ATOM 0 HB2 LYS A 34 5.472 55.785 74.059 1.00 5.42 H new ATOM 0 HB3 LYS A 34 6.856 55.051 73.273 1.00 5.42 H new ATOM 0 HG2 LYS A 34 7.639 57.109 72.430 1.00 12.01 H new ATOM 0 HG3 LYS A 34 6.080 57.890 72.607 1.00 12.01 H new ATOM 0 HD2 LYS A 34 6.892 58.736 74.541 1.00 55.41 H new ATOM 0 HD3 LYS A 34 6.630 57.139 75.214 1.00 55.41 H new ATOM 0 HE2 LYS A 34 8.964 56.506 74.472 1.00 13.23 H new ATOM 0 HE3 LYS A 34 9.208 58.164 73.959 1.00 13.23 H new ATOM 0 HZ1 LYS A 34 10.088 57.793 76.169 1.00 60.33 H new ATOM 0 HZ2 LYS A 34 8.802 58.900 76.236 1.00 60.33 H new ATOM 0 HZ3 LYS A 34 8.566 57.294 76.733 1.00 60.33 H new ATOM 523 N VAL A 35 6.784 55.057 70.139 1.00 13.34 N ATOM 524 CA VAL A 35 7.518 55.357 68.916 1.00 45.31 C ATOM 525 C VAL A 35 6.674 55.063 67.681 1.00 61.24 C ATOM 526 O VAL A 35 6.929 55.598 66.602 1.00 21.21 O ATOM 527 CB VAL A 35 8.827 54.547 68.834 1.00 54.23 C ATOM 528 CG1 VAL A 35 9.663 54.756 70.088 1.00 31.52 C ATOM 529 CG2 VAL A 35 8.527 53.072 68.624 1.00 4.25 C ATOM 0 H VAL A 35 6.988 54.141 70.539 1.00 13.34 H new ATOM 0 HA VAL A 35 7.757 56.420 68.944 1.00 45.31 H new ATOM 0 HB VAL A 35 9.402 54.903 67.979 1.00 54.23 H new ATOM 0 HG11 VAL A 35 10.583 54.177 70.013 1.00 31.52 H new ATOM 0 HG12 VAL A 35 9.907 55.813 70.190 1.00 31.52 H new ATOM 0 HG13 VAL A 35 9.098 54.428 70.961 1.00 31.52 H new ATOM 0 HG21 VAL A 35 9.462 52.515 68.568 1.00 4.25 H new ATOM 0 HG22 VAL A 35 7.932 52.699 69.458 1.00 4.25 H new ATOM 0 HG23 VAL A 35 7.972 52.942 67.695 1.00 4.25 H new ATOM 539 N TRP A 36 5.668 54.212 67.847 1.00 43.44 N ATOM 540 CA TRP A 36 4.786 53.848 66.746 1.00 22.34 C ATOM 541 C TRP A 36 4.398 55.077 65.930 1.00 1.51 C ATOM 542 O TRP A 36 4.522 55.084 64.706 1.00 33.53 O ATOM 543 CB TRP A 36 3.530 53.156 67.278 1.00 70.22 C ATOM 544 CG TRP A 36 2.582 52.733 66.198 1.00 21.22 C ATOM 545 CD1 TRP A 36 2.051 53.522 65.218 1.00 12.35 C ATOM 546 CD2 TRP A 36 2.051 51.419 65.990 1.00 61.10 C ATOM 547 NE1 TRP A 36 1.222 52.778 64.413 1.00 34.35 N ATOM 548 CE2 TRP A 36 1.205 51.485 64.865 1.00 11.12 C ATOM 549 CE3 TRP A 36 2.210 50.194 66.642 1.00 71.30 C ATOM 550 CZ2 TRP A 36 0.521 50.372 64.382 1.00 42.32 C ATOM 551 CZ3 TRP A 36 1.530 49.090 66.162 1.00 70.53 C ATOM 552 CH2 TRP A 36 0.694 49.186 65.041 1.00 44.53 C ATOM 0 H TRP A 36 5.443 53.761 68.734 1.00 43.44 H new ATOM 0 HA TRP A 36 5.324 53.158 66.096 1.00 22.34 H new ATOM 0 HB2 TRP A 36 3.824 52.280 67.857 1.00 70.22 H new ATOM 0 HB3 TRP A 36 3.014 53.831 67.961 1.00 70.22 H new ATOM 0 HD1 TRP A 36 2.253 54.576 65.094 1.00 12.35 H new ATOM 0 HE1 TRP A 36 0.703 53.131 63.609 1.00 34.35 H new ATOM 0 HE3 TRP A 36 2.853 50.111 67.506 1.00 71.30 H new ATOM 0 HZ2 TRP A 36 -0.123 50.443 63.518 1.00 42.32 H new ATOM 0 HZ3 TRP A 36 1.645 48.138 66.659 1.00 70.53 H new ATOM 0 HH2 TRP A 36 0.176 48.306 64.690 1.00 44.53 H new ATOM 563 N MET A 37 3.928 56.113 66.616 1.00 52.23 N ATOM 564 CA MET A 37 3.523 57.348 65.954 1.00 2.52 C ATOM 565 C MET A 37 4.711 58.009 65.263 1.00 2.51 C ATOM 566 O MET A 37 4.654 58.317 64.073 1.00 2.22 O ATOM 567 CB MET A 37 2.904 58.314 66.966 1.00 41.13 C ATOM 568 CG MET A 37 3.718 58.462 68.242 1.00 31.05 C ATOM 569 SD MET A 37 2.705 58.342 69.729 1.00 1.22 S ATOM 570 CE MET A 37 2.141 56.645 69.617 1.00 44.03 C ATOM 0 H MET A 37 3.818 56.122 67.630 1.00 52.23 H new ATOM 0 HA MET A 37 2.779 57.099 65.198 1.00 2.52 H new ATOM 0 HB2 MET A 37 2.793 59.293 66.500 1.00 41.13 H new ATOM 0 HB3 MET A 37 1.903 57.967 67.222 1.00 41.13 H new ATOM 0 HG2 MET A 37 4.488 57.691 68.269 1.00 31.05 H new ATOM 0 HG3 MET A 37 4.230 59.424 68.232 1.00 31.05 H new ATOM 0 HE1 MET A 37 1.051 56.623 69.622 1.00 44.03 H new ATOM 0 HE2 MET A 37 2.509 56.200 68.693 1.00 44.03 H new ATOM 0 HE3 MET A 37 2.520 56.079 70.468 1.00 44.03 H new ATOM 580 N GLN A 38 5.785 58.222 66.017 1.00 25.40 N ATOM 581 CA GLN A 38 6.985 58.848 65.474 1.00 43.43 C ATOM 582 C GLN A 38 7.516 58.062 64.279 1.00 74.51 C ATOM 583 O GLN A 38 8.188 58.616 63.410 1.00 23.42 O ATOM 584 CB GLN A 38 8.065 58.949 66.554 1.00 24.14 C ATOM 585 CG GLN A 38 9.029 57.773 66.561 1.00 10.33 C ATOM 586 CD GLN A 38 10.343 58.091 65.875 1.00 52.41 C ATOM 587 OE1 GLN A 38 10.687 59.257 65.678 1.00 64.01 O ATOM 588 NE2 GLN A 38 11.086 57.054 65.507 1.00 11.22 N ATOM 0 H GLN A 38 5.849 57.971 67.004 1.00 25.40 H new ATOM 0 HA GLN A 38 6.722 59.851 65.138 1.00 43.43 H new ATOM 0 HB2 GLN A 38 8.629 59.870 66.407 1.00 24.14 H new ATOM 0 HB3 GLN A 38 7.586 59.021 67.530 1.00 24.14 H new ATOM 0 HG2 GLN A 38 9.224 57.474 67.591 1.00 10.33 H new ATOM 0 HG3 GLN A 38 8.562 56.922 66.066 1.00 10.33 H new ATOM 0 HE21 GLN A 38 10.762 56.104 65.690 1.00 11.22 H new ATOM 0 HE22 GLN A 38 11.980 57.207 65.041 1.00 11.22 H new ATOM 597 N ASN A 39 7.210 56.770 64.244 1.00 42.12 N ATOM 598 CA ASN A 39 7.657 55.909 63.155 1.00 1.22 C ATOM 599 C ASN A 39 6.948 56.266 61.852 1.00 42.32 C ATOM 600 O ASN A 39 7.579 56.374 60.799 1.00 54.32 O ATOM 601 CB ASN A 39 7.401 54.440 63.501 1.00 20.13 C ATOM 602 CG ASN A 39 8.607 53.778 64.139 1.00 5.41 C ATOM 603 OD1 ASN A 39 9.509 53.307 63.447 1.00 24.00 O ATOM 604 ND2 ASN A 39 8.627 53.739 65.466 1.00 0.32 N ATOM 0 H ASN A 39 6.655 56.296 64.956 1.00 42.12 H new ATOM 0 HA ASN A 39 8.727 56.063 63.020 1.00 1.22 H new ATOM 0 HB2 ASN A 39 6.551 54.372 64.180 1.00 20.13 H new ATOM 0 HB3 ASN A 39 7.129 53.898 62.595 1.00 20.13 H new ATOM 0 HD21 ASN A 39 9.412 53.306 65.952 1.00 0.32 H new ATOM 0 HD22 ASN A 39 7.857 54.142 66.000 1.00 0.32 H new ATOM 611 N LEU A 40 5.635 56.449 61.930 1.00 10.50 N ATOM 612 CA LEU A 40 4.840 56.796 60.757 1.00 2.11 C ATOM 613 C LEU A 40 4.910 58.293 60.475 1.00 40.11 C ATOM 614 O LEU A 40 4.768 58.725 59.331 1.00 54.31 O ATOM 615 CB LEU A 40 3.385 56.371 60.960 1.00 32.41 C ATOM 616 CG LEU A 40 3.116 55.438 62.141 1.00 42.21 C ATOM 617 CD1 LEU A 40 1.659 55.001 62.156 1.00 21.12 C ATOM 618 CD2 LEU A 40 4.036 54.226 62.084 1.00 72.55 C ATOM 0 H LEU A 40 5.098 56.363 62.793 1.00 10.50 H new ATOM 0 HA LEU A 40 5.251 56.264 59.899 1.00 2.11 H new ATOM 0 HB2 LEU A 40 2.780 57.269 61.087 1.00 32.41 H new ATOM 0 HB3 LEU A 40 3.041 55.880 60.050 1.00 32.41 H new ATOM 0 HG LEU A 40 3.321 55.983 63.063 1.00 42.21 H new ATOM 0 HD11 LEU A 40 1.487 54.338 63.004 1.00 21.12 H new ATOM 0 HD12 LEU A 40 1.017 55.877 62.245 1.00 21.12 H new ATOM 0 HD13 LEU A 40 1.428 54.474 61.230 1.00 21.12 H new ATOM 0 HD21 LEU A 40 3.831 53.573 62.932 1.00 72.55 H new ATOM 0 HD22 LEU A 40 3.863 53.681 61.156 1.00 72.55 H new ATOM 0 HD23 LEU A 40 5.074 54.555 62.123 1.00 72.55 H new ATOM 630 N GLU A 41 5.133 59.078 61.524 1.00 11.13 N ATOM 631 CA GLU A 41 5.223 60.527 61.389 1.00 24.53 C ATOM 632 C GLU A 41 6.225 60.910 60.303 1.00 61.32 C ATOM 633 O GLU A 41 5.955 61.778 59.473 1.00 61.15 O ATOM 634 CB GLU A 41 5.629 61.163 62.719 1.00 55.20 C ATOM 635 CG GLU A 41 4.959 62.501 62.984 1.00 44.40 C ATOM 636 CD GLU A 41 5.801 63.412 63.857 1.00 12.54 C ATOM 637 OE1 GLU A 41 6.128 63.007 64.992 1.00 11.50 O ATOM 638 OE2 GLU A 41 6.131 64.528 63.407 1.00 4.13 O ATOM 0 H GLU A 41 5.255 58.735 62.477 1.00 11.13 H new ATOM 0 HA GLU A 41 4.240 60.901 61.102 1.00 24.53 H new ATOM 0 HB2 GLU A 41 5.384 60.477 63.530 1.00 55.20 H new ATOM 0 HB3 GLU A 41 6.710 61.299 62.732 1.00 55.20 H new ATOM 0 HG2 GLU A 41 4.759 62.997 62.034 1.00 44.40 H new ATOM 0 HG3 GLU A 41 3.996 62.332 63.465 1.00 44.40 H new ATOM 645 N ASP A 42 7.382 60.256 60.317 1.00 20.43 N ATOM 646 CA ASP A 42 8.424 60.526 59.334 1.00 61.22 C ATOM 647 C ASP A 42 8.154 59.775 58.034 1.00 42.11 C ATOM 648 O ASP A 42 8.211 60.353 56.947 1.00 32.01 O ATOM 649 CB ASP A 42 9.793 60.133 59.890 1.00 21.00 C ATOM 650 CG ASP A 42 10.864 61.159 59.574 1.00 4.42 C ATOM 651 OD1 ASP A 42 10.875 61.672 58.436 1.00 34.31 O ATOM 652 OD2 ASP A 42 11.692 61.446 60.463 1.00 52.31 O ATOM 0 H ASP A 42 7.621 59.536 60.998 1.00 20.43 H new ATOM 0 HA ASP A 42 8.420 61.595 59.122 1.00 61.22 H new ATOM 0 HB2 ASP A 42 9.721 60.009 60.970 1.00 21.00 H new ATOM 0 HB3 ASP A 42 10.086 59.168 59.477 1.00 21.00 H new ATOM 657 N LEU A 43 7.863 58.485 58.152 1.00 31.01 N ATOM 658 CA LEU A 43 7.585 57.653 56.987 1.00 30.53 C ATOM 659 C LEU A 43 6.444 58.238 56.160 1.00 53.40 C ATOM 660 O LEU A 43 6.615 58.557 54.983 1.00 63.05 O ATOM 661 CB LEU A 43 7.236 56.229 57.422 1.00 53.41 C ATOM 662 CG LEU A 43 7.221 55.173 56.317 1.00 41.34 C ATOM 663 CD1 LEU A 43 6.335 55.619 55.164 1.00 2.42 C ATOM 664 CD2 LEU A 43 8.635 54.893 55.828 1.00 65.01 C ATOM 0 H LEU A 43 7.813 57.992 59.043 1.00 31.01 H new ATOM 0 HA LEU A 43 8.482 57.627 56.369 1.00 30.53 H new ATOM 0 HB2 LEU A 43 7.951 55.918 58.184 1.00 53.41 H new ATOM 0 HB3 LEU A 43 6.254 56.246 57.894 1.00 53.41 H new ATOM 0 HG LEU A 43 6.810 54.251 56.728 1.00 41.34 H new ATOM 0 HD11 LEU A 43 6.337 54.855 54.387 1.00 2.42 H new ATOM 0 HD12 LEU A 43 5.317 55.768 55.524 1.00 2.42 H new ATOM 0 HD13 LEU A 43 6.715 56.554 54.754 1.00 2.42 H new ATOM 0 HD21 LEU A 43 8.605 54.139 55.042 1.00 65.01 H new ATOM 0 HD22 LEU A 43 9.072 55.811 55.435 1.00 65.01 H new ATOM 0 HD23 LEU A 43 9.241 54.529 56.657 1.00 65.01 H new ATOM 676 N HIS A 44 5.278 58.377 56.784 1.00 43.32 N ATOM 677 CA HIS A 44 4.109 58.927 56.107 1.00 2.53 C ATOM 678 C HIS A 44 4.491 60.136 55.259 1.00 3.23 C ATOM 679 O HIS A 44 4.001 60.304 54.142 1.00 71.43 O ATOM 680 CB HIS A 44 3.042 59.320 57.128 1.00 34.54 C ATOM 681 CG HIS A 44 1.651 59.322 56.570 1.00 64.14 C ATOM 682 ND1 HIS A 44 0.555 58.876 57.278 1.00 43.14 N ATOM 683 CD2 HIS A 44 1.181 59.719 55.364 1.00 45.14 C ATOM 684 CE1 HIS A 44 -0.528 58.998 56.532 1.00 31.11 C ATOM 685 NE2 HIS A 44 -0.176 59.508 55.366 1.00 3.30 N ATOM 0 H HIS A 44 5.118 58.116 57.757 1.00 43.32 H new ATOM 0 HA HIS A 44 3.705 58.158 55.448 1.00 2.53 H new ATOM 0 HB2 HIS A 44 3.086 58.630 57.971 1.00 34.54 H new ATOM 0 HB3 HIS A 44 3.270 60.313 57.516 1.00 34.54 H new ATOM 0 HD2 HIS A 44 1.765 60.126 54.552 1.00 45.14 H new ATOM 0 HE1 HIS A 44 -1.531 58.727 56.826 1.00 31.11 H new ATOM 0 HE2 HIS A 44 -0.809 59.712 54.593 1.00 3.30 H new ATOM 693 N THR A 45 5.368 60.977 55.798 1.00 45.34 N ATOM 694 CA THR A 45 5.814 62.172 55.092 1.00 15.54 C ATOM 695 C THR A 45 6.115 61.866 53.630 1.00 21.23 C ATOM 696 O THR A 45 5.816 62.667 52.743 1.00 74.24 O ATOM 697 CB THR A 45 7.071 62.776 55.748 1.00 34.14 C ATOM 698 OG1 THR A 45 6.838 62.992 57.144 1.00 61.31 O ATOM 699 CG2 THR A 45 7.450 64.090 55.082 1.00 3.34 C ATOM 0 H THR A 45 5.784 60.853 56.721 1.00 45.34 H new ATOM 0 HA THR A 45 5.000 62.895 55.149 1.00 15.54 H new ATOM 0 HB THR A 45 7.894 62.073 55.622 1.00 34.14 H new ATOM 0 HG1 THR A 45 7.642 63.374 57.554 1.00 61.31 H new ATOM 0 HG21 THR A 45 8.340 64.498 55.562 1.00 3.34 H new ATOM 0 HG22 THR A 45 7.654 63.917 54.025 1.00 3.34 H new ATOM 0 HG23 THR A 45 6.628 64.799 55.181 1.00 3.34 H new ATOM 707 N ARG A 46 6.708 60.703 53.383 1.00 3.40 N ATOM 708 CA ARG A 46 7.050 60.292 52.027 1.00 23.21 C ATOM 709 C ARG A 46 5.919 59.479 51.403 1.00 50.32 C ATOM 710 O ARG A 46 5.251 59.936 50.476 1.00 1.14 O ATOM 711 CB ARG A 46 8.341 59.472 52.029 1.00 42.20 C ATOM 712 CG ARG A 46 9.601 60.316 51.928 1.00 73.31 C ATOM 713 CD ARG A 46 10.507 60.113 53.132 1.00 4.14 C ATOM 714 NE ARG A 46 11.856 59.711 52.740 1.00 21.33 N ATOM 715 CZ ARG A 46 12.743 59.197 53.583 1.00 22.21 C ATOM 716 NH1 ARG A 46 12.427 59.021 54.859 1.00 31.22 N ATOM 717 NH2 ARG A 46 13.951 58.856 53.151 1.00 64.51 N ATOM 0 H ARG A 46 6.962 60.028 54.105 1.00 3.40 H new ATOM 0 HA ARG A 46 7.200 61.191 51.430 1.00 23.21 H new ATOM 0 HB2 ARG A 46 8.383 58.880 52.943 1.00 42.20 H new ATOM 0 HB3 ARG A 46 8.317 58.770 51.195 1.00 42.20 H new ATOM 0 HG2 ARG A 46 10.141 60.057 51.017 1.00 73.31 H new ATOM 0 HG3 ARG A 46 9.329 61.369 51.849 1.00 73.31 H new ATOM 0 HD2 ARG A 46 10.557 61.037 53.708 1.00 4.14 H new ATOM 0 HD3 ARG A 46 10.078 59.353 53.785 1.00 4.14 H new ATOM 0 HE ARG A 46 12.131 59.832 51.765 1.00 21.33 H new ATOM 0 HH11 ARG A 46 11.500 59.281 55.195 1.00 31.22 H new ATOM 0 HH12 ARG A 46 13.111 58.626 55.504 1.00 31.22 H new ATOM 0 HH21 ARG A 46 14.198 58.989 52.170 1.00 64.51 H new ATOM 0 HH22 ARG A 46 14.632 58.461 53.800 1.00 64.51 H new ATOM 731 N ARG A 47 5.711 58.271 51.919 1.00 62.53 N ATOM 732 CA ARG A 47 4.663 57.394 51.412 1.00 42.15 C ATOM 733 C ARG A 47 3.878 56.767 52.560 1.00 24.01 C ATOM 734 O ARG A 47 4.444 56.222 53.508 1.00 61.44 O ATOM 735 CB ARG A 47 5.268 56.298 50.533 1.00 22.23 C ATOM 736 CG ARG A 47 4.262 55.643 49.599 1.00 43.14 C ATOM 737 CD ARG A 47 4.039 56.479 48.349 1.00 24.35 C ATOM 738 NE ARG A 47 3.230 55.776 47.357 1.00 0.33 N ATOM 739 CZ ARG A 47 2.993 56.242 46.137 1.00 20.45 C ATOM 740 NH1 ARG A 47 3.500 57.407 45.758 1.00 42.22 N ATOM 741 NH2 ARG A 47 2.246 55.543 45.291 1.00 62.42 N ATOM 0 H ARG A 47 6.255 57.878 52.688 1.00 62.53 H new ATOM 0 HA ARG A 47 3.979 57.994 50.812 1.00 42.15 H new ATOM 0 HB2 ARG A 47 6.077 56.724 49.940 1.00 22.23 H new ATOM 0 HB3 ARG A 47 5.709 55.533 51.172 1.00 22.23 H new ATOM 0 HG2 ARG A 47 4.617 54.652 49.317 1.00 43.14 H new ATOM 0 HG3 ARG A 47 3.315 55.506 50.121 1.00 43.14 H new ATOM 0 HD2 ARG A 47 3.548 57.413 48.621 1.00 24.35 H new ATOM 0 HD3 ARG A 47 5.002 56.741 47.911 1.00 24.35 H new ATOM 0 HE ARG A 47 2.824 54.877 47.616 1.00 0.33 H new ATOM 0 HH11 ARG A 47 4.074 57.948 46.405 1.00 42.22 H new ATOM 0 HH12 ARG A 47 3.316 57.762 44.820 1.00 42.22 H new ATOM 0 HH21 ARG A 47 1.853 54.647 45.578 1.00 62.42 H new ATOM 0 HH22 ARG A 47 2.065 55.902 44.354 1.00 62.42 H new ATOM 755 N PRO A 48 2.542 56.843 52.474 1.00 22.34 N ATOM 756 CA PRO A 48 1.649 56.288 53.497 1.00 65.35 C ATOM 757 C PRO A 48 1.659 54.764 53.508 1.00 1.34 C ATOM 758 O PRO A 48 1.848 54.143 54.554 1.00 10.24 O ATOM 759 CB PRO A 48 0.271 56.811 53.086 1.00 23.41 C ATOM 760 CG PRO A 48 0.377 57.051 51.619 1.00 44.52 C ATOM 761 CD PRO A 48 1.798 57.477 51.372 1.00 42.54 C ATOM 0 HA PRO A 48 1.948 56.582 54.503 1.00 65.35 H new ATOM 0 HB2 PRO A 48 -0.511 56.086 53.313 1.00 23.41 H new ATOM 0 HB3 PRO A 48 0.020 57.728 53.620 1.00 23.41 H new ATOM 0 HG2 PRO A 48 0.137 56.148 51.057 1.00 44.52 H new ATOM 0 HG3 PRO A 48 -0.323 57.822 51.298 1.00 44.52 H new ATOM 0 HD2 PRO A 48 2.155 57.139 50.399 1.00 42.54 H new ATOM 0 HD3 PRO A 48 1.901 58.562 51.390 1.00 42.54 H new ATOM 769 N ASP A 49 1.456 54.166 52.339 1.00 71.20 N ATOM 770 CA ASP A 49 1.443 52.713 52.215 1.00 23.14 C ATOM 771 C ASP A 49 2.644 52.097 52.924 1.00 12.41 C ATOM 772 O ASP A 49 2.591 50.951 53.370 1.00 3.22 O ATOM 773 CB ASP A 49 1.441 52.307 50.740 1.00 3.51 C ATOM 774 CG ASP A 49 1.013 50.866 50.538 1.00 64.00 C ATOM 775 OD1 ASP A 49 0.107 50.408 51.265 1.00 54.34 O ATOM 776 OD2 ASP A 49 1.583 50.197 49.651 1.00 62.42 O ATOM 0 H ASP A 49 1.298 54.665 51.464 1.00 71.20 H new ATOM 0 HA ASP A 49 0.535 52.340 52.688 1.00 23.14 H new ATOM 0 HB2 ASP A 49 0.770 52.964 50.186 1.00 3.51 H new ATOM 0 HB3 ASP A 49 2.439 52.448 50.326 1.00 3.51 H new ATOM 781 N GLU A 50 3.723 52.864 53.025 1.00 41.55 N ATOM 782 CA GLU A 50 4.939 52.391 53.679 1.00 14.51 C ATOM 783 C GLU A 50 4.923 52.732 55.167 1.00 15.03 C ATOM 784 O GLU A 50 5.616 52.103 55.966 1.00 11.40 O ATOM 785 CB GLU A 50 6.174 53.005 53.017 1.00 31.41 C ATOM 786 CG GLU A 50 6.711 52.187 51.855 1.00 61.33 C ATOM 787 CD GLU A 50 8.038 52.709 51.340 1.00 5.54 C ATOM 788 OE1 GLU A 50 8.899 53.065 52.170 1.00 53.24 O ATOM 789 OE2 GLU A 50 8.217 52.759 50.104 1.00 14.03 O ATOM 0 H GLU A 50 3.782 53.816 52.663 1.00 41.55 H new ATOM 0 HA GLU A 50 4.981 51.307 53.572 1.00 14.51 H new ATOM 0 HB2 GLU A 50 5.926 54.005 52.662 1.00 31.41 H new ATOM 0 HB3 GLU A 50 6.959 53.117 53.765 1.00 31.41 H new ATOM 0 HG2 GLU A 50 6.830 51.150 52.169 1.00 61.33 H new ATOM 0 HG3 GLU A 50 5.983 52.193 51.044 1.00 61.33 H new ATOM 796 N PHE A 51 4.128 53.733 55.531 1.00 31.35 N ATOM 797 CA PHE A 51 4.023 54.159 56.921 1.00 34.12 C ATOM 798 C PHE A 51 3.870 52.957 57.849 1.00 20.42 C ATOM 799 O PHE A 51 4.427 52.929 58.946 1.00 60.53 O ATOM 800 CB PHE A 51 2.835 55.107 57.097 1.00 33.45 C ATOM 801 CG PHE A 51 1.633 54.454 57.719 1.00 51.34 C ATOM 802 CD1 PHE A 51 1.699 53.932 59.001 1.00 74.02 C ATOM 803 CD2 PHE A 51 0.439 54.362 57.023 1.00 41.44 C ATOM 804 CE1 PHE A 51 0.596 53.331 59.577 1.00 53.21 C ATOM 805 CE2 PHE A 51 -0.668 53.763 57.594 1.00 44.22 C ATOM 806 CZ PHE A 51 -0.589 53.245 58.873 1.00 25.55 C ATOM 0 H PHE A 51 3.547 54.264 54.882 1.00 31.35 H new ATOM 0 HA PHE A 51 4.941 54.684 57.184 1.00 34.12 H new ATOM 0 HB2 PHE A 51 3.142 55.950 57.716 1.00 33.45 H new ATOM 0 HB3 PHE A 51 2.556 55.511 56.124 1.00 33.45 H new ATOM 0 HD1 PHE A 51 2.623 53.996 59.556 1.00 74.02 H new ATOM 0 HD2 PHE A 51 0.372 54.763 56.022 1.00 41.44 H new ATOM 0 HE1 PHE A 51 0.661 52.929 60.577 1.00 53.21 H new ATOM 0 HE2 PHE A 51 -1.594 53.700 57.041 1.00 44.22 H new ATOM 0 HZ PHE A 51 -1.452 52.774 59.321 1.00 25.55 H new ATOM 816 N THR A 52 3.110 51.963 57.400 1.00 24.52 N ATOM 817 CA THR A 52 2.882 50.758 58.188 1.00 61.52 C ATOM 818 C THR A 52 4.087 49.826 58.129 1.00 34.31 C ATOM 819 O THR A 52 4.280 48.991 59.011 1.00 14.42 O ATOM 820 CB THR A 52 1.634 49.998 57.703 1.00 1.14 C ATOM 821 OG1 THR A 52 1.877 49.433 56.409 1.00 33.31 O ATOM 822 CG2 THR A 52 0.427 50.921 57.641 1.00 2.44 C ATOM 0 H THR A 52 2.642 51.969 56.494 1.00 24.52 H new ATOM 0 HA THR A 52 2.725 51.079 59.218 1.00 61.52 H new ATOM 0 HB THR A 52 1.423 49.199 58.414 1.00 1.14 H new ATOM 0 HG1 THR A 52 1.079 48.950 56.108 1.00 33.31 H new ATOM 0 HG21 THR A 52 -0.442 50.361 57.296 1.00 2.44 H new ATOM 0 HG22 THR A 52 0.227 51.326 58.633 1.00 2.44 H new ATOM 0 HG23 THR A 52 0.630 51.739 56.950 1.00 2.44 H new ATOM 830 N ALA A 53 4.895 49.977 57.084 1.00 14.33 N ATOM 831 CA ALA A 53 6.083 49.149 56.913 1.00 33.32 C ATOM 832 C ALA A 53 7.123 49.453 57.984 1.00 52.34 C ATOM 833 O ALA A 53 8.015 48.646 58.244 1.00 54.32 O ATOM 834 CB ALA A 53 6.674 49.357 55.526 1.00 22.24 C ATOM 0 H ALA A 53 4.749 50.664 56.344 1.00 14.33 H new ATOM 0 HA ALA A 53 5.787 48.105 57.018 1.00 33.32 H new ATOM 0 HB1 ALA A 53 7.560 48.733 55.411 1.00 22.24 H new ATOM 0 HB2 ALA A 53 5.937 49.083 54.771 1.00 22.24 H new ATOM 0 HB3 ALA A 53 6.949 50.404 55.401 1.00 22.24 H new ATOM 840 N ARG A 54 7.004 50.624 58.604 1.00 23.23 N ATOM 841 CA ARG A 54 7.935 51.035 59.646 1.00 44.32 C ATOM 842 C ARG A 54 7.686 50.258 60.936 1.00 35.32 C ATOM 843 O ARG A 54 8.522 49.464 61.367 1.00 24.10 O ATOM 844 CB ARG A 54 7.809 52.536 59.910 1.00 73.13 C ATOM 845 CG ARG A 54 9.029 53.142 60.584 1.00 63.42 C ATOM 846 CD ARG A 54 9.924 53.853 59.581 1.00 71.33 C ATOM 847 NE ARG A 54 11.336 53.545 59.791 1.00 54.32 N ATOM 848 CZ ARG A 54 11.940 52.478 59.282 1.00 22.01 C ATOM 849 NH1 ARG A 54 11.258 51.621 58.534 1.00 62.52 N ATOM 850 NH2 ARG A 54 13.228 52.266 59.518 1.00 54.24 N ATOM 0 H ARG A 54 6.271 51.304 58.401 1.00 23.23 H new ATOM 0 HA ARG A 54 8.946 50.818 59.301 1.00 44.32 H new ATOM 0 HB2 ARG A 54 7.635 53.049 58.964 1.00 73.13 H new ATOM 0 HB3 ARG A 54 6.934 52.714 60.535 1.00 73.13 H new ATOM 0 HG2 ARG A 54 8.709 53.847 61.352 1.00 63.42 H new ATOM 0 HG3 ARG A 54 9.595 52.358 61.087 1.00 63.42 H new ATOM 0 HD2 ARG A 54 9.637 53.564 58.570 1.00 71.33 H new ATOM 0 HD3 ARG A 54 9.772 54.930 59.660 1.00 71.33 H new ATOM 0 HE ARG A 54 11.889 54.185 60.361 1.00 54.32 H new ATOM 0 HH11 ARG A 54 10.268 51.781 58.349 1.00 62.52 H new ATOM 0 HH12 ARG A 54 11.724 50.802 58.144 1.00 62.52 H new ATOM 0 HH21 ARG A 54 13.756 52.923 60.092 1.00 54.24 H new ATOM 0 HH22 ARG A 54 13.690 51.446 59.126 1.00 54.24 H new ATOM 864 N LEU A 55 6.531 50.495 61.548 1.00 13.32 N ATOM 865 CA LEU A 55 6.170 49.818 62.788 1.00 54.43 C ATOM 866 C LEU A 55 5.904 48.336 62.544 1.00 11.21 C ATOM 867 O LEU A 55 5.919 47.532 63.475 1.00 1.53 O ATOM 868 CB LEU A 55 4.935 50.473 63.410 1.00 35.22 C ATOM 869 CG LEU A 55 3.589 50.081 62.801 1.00 13.14 C ATOM 870 CD1 LEU A 55 3.558 50.409 61.316 1.00 13.01 C ATOM 871 CD2 LEU A 55 3.312 48.601 63.027 1.00 55.31 C ATOM 0 H LEU A 55 5.829 51.151 61.206 1.00 13.32 H new ATOM 0 HA LEU A 55 7.009 49.909 63.478 1.00 54.43 H new ATOM 0 HB2 LEU A 55 4.915 50.229 64.472 1.00 35.22 H new ATOM 0 HB3 LEU A 55 5.045 51.555 63.333 1.00 35.22 H new ATOM 0 HG LEU A 55 2.807 50.657 63.296 1.00 13.14 H new ATOM 0 HD11 LEU A 55 2.592 50.123 60.900 1.00 13.01 H new ATOM 0 HD12 LEU A 55 3.710 51.479 61.177 1.00 13.01 H new ATOM 0 HD13 LEU A 55 4.350 49.860 60.806 1.00 13.01 H new ATOM 0 HD21 LEU A 55 2.350 48.340 62.587 1.00 55.31 H new ATOM 0 HD22 LEU A 55 4.098 48.008 62.559 1.00 55.31 H new ATOM 0 HD23 LEU A 55 3.290 48.394 64.097 1.00 55.31 H new ATOM 883 N GLN A 56 5.663 47.983 61.285 1.00 52.24 N ATOM 884 CA GLN A 56 5.396 46.598 60.919 1.00 20.44 C ATOM 885 C GLN A 56 6.650 45.743 61.067 1.00 70.24 C ATOM 886 O GLN A 56 6.570 44.556 61.380 1.00 34.02 O ATOM 887 CB GLN A 56 4.878 46.520 59.481 1.00 5.22 C ATOM 888 CG GLN A 56 4.903 45.114 58.902 1.00 64.43 C ATOM 889 CD GLN A 56 3.818 44.891 57.867 1.00 64.32 C ATOM 890 OE1 GLN A 56 3.760 45.584 56.851 1.00 44.44 O ATOM 891 NE2 GLN A 56 2.950 43.919 58.120 1.00 12.53 N ATOM 0 H GLN A 56 5.647 48.637 60.502 1.00 52.24 H new ATOM 0 HA GLN A 56 4.634 46.211 61.595 1.00 20.44 H new ATOM 0 HB2 GLN A 56 3.856 46.899 59.450 1.00 5.22 H new ATOM 0 HB3 GLN A 56 5.480 47.175 58.851 1.00 5.22 H new ATOM 0 HG2 GLN A 56 5.877 44.929 58.448 1.00 64.43 H new ATOM 0 HG3 GLN A 56 4.785 44.391 59.709 1.00 64.43 H new ATOM 0 HE21 GLN A 56 3.035 43.369 58.975 1.00 12.53 H new ATOM 0 HE22 GLN A 56 2.198 43.722 57.460 1.00 12.53 H new ATOM 900 N GLN A 57 7.808 46.357 60.841 1.00 12.42 N ATOM 901 CA GLN A 57 9.079 45.651 60.950 1.00 23.45 C ATOM 902 C GLN A 57 9.302 45.145 62.371 1.00 60.11 C ATOM 903 O GLN A 57 9.667 43.989 62.579 1.00 4.25 O ATOM 904 CB GLN A 57 10.232 46.566 60.534 1.00 72.14 C ATOM 905 CG GLN A 57 10.496 46.571 59.037 1.00 73.34 C ATOM 906 CD GLN A 57 11.971 46.684 58.706 1.00 71.54 C ATOM 907 OE1 GLN A 57 12.796 46.959 59.577 1.00 52.33 O ATOM 908 NE2 GLN A 57 12.312 46.473 57.440 1.00 11.12 N ATOM 0 H GLN A 57 7.892 47.340 60.582 1.00 12.42 H new ATOM 0 HA GLN A 57 9.047 44.792 60.280 1.00 23.45 H new ATOM 0 HB2 GLN A 57 10.013 47.583 60.859 1.00 72.14 H new ATOM 0 HB3 GLN A 57 11.138 46.254 61.053 1.00 72.14 H new ATOM 0 HG2 GLN A 57 10.098 45.656 58.598 1.00 73.34 H new ATOM 0 HG3 GLN A 57 9.960 47.403 58.580 1.00 73.34 H new ATOM 0 HE21 GLN A 57 11.596 46.247 56.750 1.00 11.12 H new ATOM 0 HE22 GLN A 57 13.290 46.537 57.158 1.00 11.12 H new ATOM 917 N SER A 58 9.080 46.020 63.347 1.00 24.33 N ATOM 918 CA SER A 58 9.260 45.663 64.749 1.00 61.44 C ATOM 919 C SER A 58 8.018 44.968 65.297 1.00 61.40 C ATOM 920 O SER A 58 8.070 43.805 65.699 1.00 14.33 O ATOM 921 CB SER A 58 9.568 46.912 65.579 1.00 31.43 C ATOM 922 OG SER A 58 8.549 47.886 65.431 1.00 14.23 O ATOM 0 H SER A 58 8.775 46.981 63.192 1.00 24.33 H new ATOM 0 HA SER A 58 10.101 44.973 64.818 1.00 61.44 H new ATOM 0 HB2 SER A 58 9.665 46.639 66.630 1.00 31.43 H new ATOM 0 HB3 SER A 58 10.525 47.332 65.269 1.00 31.43 H new ATOM 0 HG SER A 58 8.768 48.673 65.972 1.00 14.23 H new ATOM 928 N THR A 59 6.901 45.688 65.309 1.00 75.24 N ATOM 929 CA THR A 59 5.646 45.142 65.809 1.00 31.52 C ATOM 930 C THR A 59 5.433 43.716 65.317 1.00 14.23 C ATOM 931 O THR A 59 4.722 42.932 65.946 1.00 12.40 O ATOM 932 CB THR A 59 4.445 46.007 65.376 1.00 65.13 C ATOM 933 OG1 THR A 59 4.578 47.330 65.908 1.00 41.32 O ATOM 934 CG2 THR A 59 3.138 45.393 65.849 1.00 12.21 C ATOM 0 H THR A 59 6.840 46.651 64.978 1.00 75.24 H new ATOM 0 HA THR A 59 5.712 45.142 66.897 1.00 31.52 H new ATOM 0 HB THR A 59 4.432 46.054 64.287 1.00 65.13 H new ATOM 0 HG1 THR A 59 5.070 47.890 65.272 1.00 41.32 H new ATOM 0 HG21 THR A 59 2.305 46.021 65.532 1.00 12.21 H new ATOM 0 HG22 THR A 59 3.027 44.398 65.419 1.00 12.21 H new ATOM 0 HG23 THR A 59 3.143 45.319 66.936 1.00 12.21 H new ATOM 942 N ASP A 60 6.051 43.384 64.189 1.00 63.32 N ATOM 943 CA ASP A 60 5.931 42.050 63.614 1.00 41.31 C ATOM 944 C ASP A 60 6.122 40.978 64.683 1.00 31.32 C ATOM 945 O ASP A 60 5.366 40.009 64.746 1.00 75.15 O ATOM 946 CB ASP A 60 6.955 41.860 62.494 1.00 3.12 C ATOM 947 CG ASP A 60 6.306 41.502 61.171 1.00 72.35 C ATOM 948 OD1 ASP A 60 5.177 41.973 60.918 1.00 50.33 O ATOM 949 OD2 ASP A 60 6.927 40.752 60.389 1.00 71.41 O ATOM 0 H ASP A 60 6.641 44.022 63.654 1.00 63.32 H new ATOM 0 HA ASP A 60 4.928 41.949 63.199 1.00 41.31 H new ATOM 0 HB2 ASP A 60 7.534 42.776 62.375 1.00 3.12 H new ATOM 0 HB3 ASP A 60 7.656 41.074 62.776 1.00 3.12 H new ATOM 954 N ALA A 61 7.138 41.158 65.519 1.00 65.13 N ATOM 955 CA ALA A 61 7.429 40.208 66.586 1.00 65.31 C ATOM 956 C ALA A 61 6.280 40.136 67.584 1.00 32.14 C ATOM 957 O ALA A 61 5.925 39.057 68.061 1.00 15.34 O ATOM 958 CB ALA A 61 8.722 40.586 67.293 1.00 24.40 C ATOM 0 H ALA A 61 7.775 41.954 65.478 1.00 65.13 H new ATOM 0 HA ALA A 61 7.549 39.222 66.137 1.00 65.31 H new ATOM 0 HB1 ALA A 61 8.926 39.868 68.087 1.00 24.40 H new ATOM 0 HB2 ALA A 61 9.544 40.579 66.577 1.00 24.40 H new ATOM 0 HB3 ALA A 61 8.624 41.583 67.722 1.00 24.40 H new ATOM 964 N LEU A 62 5.701 41.290 67.897 1.00 13.25 N ATOM 965 CA LEU A 62 4.590 41.357 68.840 1.00 55.31 C ATOM 966 C LEU A 62 3.370 40.618 68.300 1.00 3.02 C ATOM 967 O LEU A 62 2.679 39.915 69.038 1.00 71.05 O ATOM 968 CB LEU A 62 4.228 42.815 69.130 1.00 45.33 C ATOM 969 CG LEU A 62 2.904 43.047 69.857 1.00 14.03 C ATOM 970 CD1 LEU A 62 3.018 44.226 70.811 1.00 42.11 C ATOM 971 CD2 LEU A 62 1.780 43.274 68.857 1.00 13.31 C ATOM 0 H LEU A 62 5.982 42.192 67.512 1.00 13.25 H new ATOM 0 HA LEU A 62 4.904 40.875 69.766 1.00 55.31 H new ATOM 0 HB2 LEU A 62 5.028 43.255 69.725 1.00 45.33 H new ATOM 0 HB3 LEU A 62 4.200 43.356 68.184 1.00 45.33 H new ATOM 0 HG LEU A 62 2.670 42.156 70.440 1.00 14.03 H new ATOM 0 HD11 LEU A 62 2.066 44.376 71.320 1.00 42.11 H new ATOM 0 HD12 LEU A 62 3.795 44.024 71.548 1.00 42.11 H new ATOM 0 HD13 LEU A 62 3.275 45.124 70.250 1.00 42.11 H new ATOM 0 HD21 LEU A 62 0.845 43.437 69.392 1.00 13.31 H new ATOM 0 HD22 LEU A 62 2.007 44.148 68.247 1.00 13.31 H new ATOM 0 HD23 LEU A 62 1.682 42.399 68.215 1.00 13.31 H new ATOM 983 N TYR A 63 3.112 40.778 67.006 1.00 53.33 N ATOM 984 CA TYR A 63 1.976 40.126 66.367 1.00 3.22 C ATOM 985 C TYR A 63 2.225 38.629 66.210 1.00 4.15 C ATOM 986 O TYR A 63 1.378 37.808 66.561 1.00 14.22 O ATOM 987 CB TYR A 63 1.704 40.755 65.000 1.00 63.45 C ATOM 988 CG TYR A 63 1.475 39.741 63.901 1.00 75.42 C ATOM 989 CD1 TYR A 63 0.222 39.173 63.703 1.00 61.11 C ATOM 990 CD2 TYR A 63 2.511 39.352 63.061 1.00 11.44 C ATOM 991 CE1 TYR A 63 0.009 38.246 62.701 1.00 73.03 C ATOM 992 CE2 TYR A 63 2.306 38.427 62.056 1.00 21.15 C ATOM 993 CZ TYR A 63 1.053 37.876 61.881 1.00 64.31 C ATOM 994 OH TYR A 63 0.844 36.954 60.881 1.00 62.13 O ATOM 0 H TYR A 63 3.675 41.354 66.380 1.00 53.33 H new ATOM 0 HA TYR A 63 1.103 40.266 67.004 1.00 3.22 H new ATOM 0 HB2 TYR A 63 0.829 41.401 65.074 1.00 63.45 H new ATOM 0 HB3 TYR A 63 2.547 41.390 64.727 1.00 63.45 H new ATOM 0 HD1 TYR A 63 -0.599 39.461 64.343 1.00 61.11 H new ATOM 0 HD2 TYR A 63 3.493 39.780 63.196 1.00 11.44 H new ATOM 0 HE1 TYR A 63 -0.971 37.814 62.561 1.00 73.03 H new ATOM 0 HE2 TYR A 63 3.122 38.137 61.411 1.00 21.15 H new ATOM 0 HH TYR A 63 0.256 36.242 61.210 1.00 62.13 H new ATOM 1004 N SER A 64 3.393 38.282 65.680 1.00 60.02 N ATOM 1005 CA SER A 64 3.754 36.884 65.472 1.00 75.10 C ATOM 1006 C SER A 64 3.859 36.147 66.805 1.00 61.34 C ATOM 1007 O SER A 64 3.380 35.022 66.944 1.00 40.31 O ATOM 1008 CB SER A 64 5.080 36.784 64.715 1.00 35.40 C ATOM 1009 OG SER A 64 5.152 35.581 63.970 1.00 12.13 O ATOM 0 H SER A 64 4.106 38.950 65.387 1.00 60.02 H new ATOM 0 HA SER A 64 2.969 36.416 64.878 1.00 75.10 H new ATOM 0 HB2 SER A 64 5.185 37.637 64.045 1.00 35.40 H new ATOM 0 HB3 SER A 64 5.910 36.829 65.421 1.00 35.40 H new ATOM 0 HG SER A 64 6.008 35.542 63.494 1.00 12.13 H new ATOM 1015 N HIS A 65 4.489 36.792 67.781 1.00 41.22 N ATOM 1016 CA HIS A 65 4.658 36.199 69.104 1.00 44.40 C ATOM 1017 C HIS A 65 3.320 35.719 69.659 1.00 4.14 C ATOM 1018 O HIS A 65 3.239 34.662 70.286 1.00 5.14 O ATOM 1019 CB HIS A 65 5.289 37.209 70.062 1.00 12.51 C ATOM 1020 CG HIS A 65 5.578 36.647 71.419 1.00 51.33 C ATOM 1021 ND1 HIS A 65 5.016 37.144 72.576 1.00 52.15 N ATOM 1022 CD2 HIS A 65 6.375 35.621 71.801 1.00 40.24 C ATOM 1023 CE1 HIS A 65 5.457 36.451 73.611 1.00 13.14 C ATOM 1024 NE2 HIS A 65 6.283 35.521 73.168 1.00 11.02 N ATOM 0 H HIS A 65 4.891 37.724 67.682 1.00 41.22 H new ATOM 0 HA HIS A 65 5.321 35.339 69.008 1.00 44.40 H new ATOM 0 HB2 HIS A 65 6.217 37.580 69.626 1.00 12.51 H new ATOM 0 HB3 HIS A 65 4.621 38.064 70.167 1.00 12.51 H new ATOM 0 HD2 HIS A 65 6.972 34.997 71.152 1.00 40.24 H new ATOM 0 HE1 HIS A 65 5.188 36.617 74.644 1.00 13.14 H new ATOM 0 HE2 HIS A 65 6.773 34.839 73.747 1.00 11.02 H new ATOM 1032 N LEU A 66 2.273 36.503 69.425 1.00 5.04 N ATOM 1033 CA LEU A 66 0.939 36.159 69.903 1.00 24.35 C ATOM 1034 C LEU A 66 0.304 35.088 69.020 1.00 2.42 C ATOM 1035 O LEU A 66 -0.039 34.005 69.492 1.00 33.01 O ATOM 1036 CB LEU A 66 0.050 37.403 69.932 1.00 72.15 C ATOM 1037 CG LEU A 66 -1.228 37.295 70.765 1.00 33.54 C ATOM 1038 CD1 LEU A 66 -0.940 37.593 72.228 1.00 43.14 C ATOM 1039 CD2 LEU A 66 -2.296 38.237 70.228 1.00 2.34 C ATOM 0 H LEU A 66 2.322 37.381 68.907 1.00 5.04 H new ATOM 0 HA LEU A 66 1.033 35.763 70.914 1.00 24.35 H new ATOM 0 HB2 LEU A 66 0.639 38.237 70.313 1.00 72.15 H new ATOM 0 HB3 LEU A 66 -0.228 37.651 68.907 1.00 72.15 H new ATOM 0 HG LEU A 66 -1.601 36.274 70.690 1.00 33.54 H new ATOM 0 HD11 LEU A 66 -1.862 37.511 72.804 1.00 43.14 H new ATOM 0 HD12 LEU A 66 -0.210 36.879 72.608 1.00 43.14 H new ATOM 0 HD13 LEU A 66 -0.542 38.603 72.322 1.00 43.14 H new ATOM 0 HD21 LEU A 66 -3.198 38.147 70.833 1.00 2.34 H new ATOM 0 HD22 LEU A 66 -1.931 39.263 70.271 1.00 2.34 H new ATOM 0 HD23 LEU A 66 -2.524 37.977 69.195 1.00 2.34 H new ATOM 1051 N GLU A 67 0.153 35.399 67.736 1.00 71.01 N ATOM 1052 CA GLU A 67 -0.439 34.463 66.788 1.00 1.04 C ATOM 1053 C GLU A 67 0.260 33.108 66.854 1.00 14.04 C ATOM 1054 O GLU A 67 -0.366 32.065 66.659 1.00 41.14 O ATOM 1055 CB GLU A 67 -0.357 35.022 65.366 1.00 51.20 C ATOM 1056 CG GLU A 67 -1.302 34.342 64.390 1.00 52.01 C ATOM 1057 CD GLU A 67 -0.801 34.396 62.960 1.00 13.35 C ATOM 1058 OE1 GLU A 67 -0.054 35.340 62.629 1.00 70.21 O ATOM 1059 OE2 GLU A 67 -1.155 33.494 62.172 1.00 14.54 O ATOM 0 H GLU A 67 0.432 36.292 67.329 1.00 71.01 H new ATOM 0 HA GLU A 67 -1.486 34.327 67.057 1.00 1.04 H new ATOM 0 HB2 GLU A 67 -0.579 36.089 65.391 1.00 51.20 H new ATOM 0 HB3 GLU A 67 0.665 34.918 65.002 1.00 51.20 H new ATOM 0 HG2 GLU A 67 -1.436 33.301 64.685 1.00 52.01 H new ATOM 0 HG3 GLU A 67 -2.281 34.818 64.446 1.00 52.01 H new ATOM 1066 N ALA A 68 1.559 33.131 67.130 1.00 43.14 N ATOM 1067 CA ALA A 68 2.343 31.905 67.224 1.00 64.40 C ATOM 1068 C ALA A 68 2.226 31.283 68.611 1.00 60.33 C ATOM 1069 O ALA A 68 1.792 30.141 68.753 1.00 51.30 O ATOM 1070 CB ALA A 68 3.801 32.184 66.890 1.00 73.42 C ATOM 0 H ALA A 68 2.092 33.985 67.293 1.00 43.14 H new ATOM 0 HA ALA A 68 1.946 31.193 66.501 1.00 64.40 H new ATOM 0 HB1 ALA A 68 4.375 31.260 66.964 1.00 73.42 H new ATOM 0 HB2 ALA A 68 3.873 32.576 65.875 1.00 73.42 H new ATOM 0 HB3 ALA A 68 4.201 32.917 67.591 1.00 73.42 H new ATOM 1076 N GLN A 69 2.616 32.042 69.629 1.00 51.14 N ATOM 1077 CA GLN A 69 2.556 31.564 71.005 1.00 12.33 C ATOM 1078 C GLN A 69 1.113 31.310 71.431 1.00 5.20 C ATOM 1079 O GLN A 69 0.771 30.214 71.876 1.00 52.32 O ATOM 1080 CB GLN A 69 3.208 32.575 71.949 1.00 75.22 C ATOM 1081 CG GLN A 69 3.414 32.048 73.360 1.00 44.31 C ATOM 1082 CD GLN A 69 4.339 30.848 73.403 1.00 4.23 C ATOM 1083 OE1 GLN A 69 3.990 29.762 72.938 1.00 12.13 O ATOM 1084 NE2 GLN A 69 5.528 31.036 73.964 1.00 12.31 N ATOM 0 H GLN A 69 2.977 32.991 69.527 1.00 51.14 H new ATOM 0 HA GLN A 69 3.103 30.623 71.059 1.00 12.33 H new ATOM 0 HB2 GLN A 69 4.172 32.874 71.538 1.00 75.22 H new ATOM 0 HB3 GLN A 69 2.589 33.471 71.992 1.00 75.22 H new ATOM 0 HG2 GLN A 69 3.825 32.842 73.984 1.00 44.31 H new ATOM 0 HG3 GLN A 69 2.449 31.774 73.786 1.00 44.31 H new ATOM 0 HE21 GLN A 69 5.777 31.952 74.337 1.00 12.31 H new ATOM 0 HE22 GLN A 69 6.192 30.264 74.022 1.00 12.31 H new ATOM 1093 N TRP A 70 0.272 32.328 71.290 1.00 44.04 N ATOM 1094 CA TRP A 70 -1.134 32.214 71.660 1.00 70.21 C ATOM 1095 C TRP A 70 -1.810 31.086 70.891 1.00 25.12 C ATOM 1096 O TRP A 70 -2.744 30.455 71.387 1.00 42.34 O ATOM 1097 CB TRP A 70 -1.860 33.534 71.396 1.00 63.11 C ATOM 1098 CG TRP A 70 -3.183 33.634 72.093 1.00 61.11 C ATOM 1099 CD1 TRP A 70 -4.415 33.414 71.548 1.00 71.53 C ATOM 1100 CD2 TRP A 70 -3.405 33.982 73.464 1.00 50.02 C ATOM 1101 NE1 TRP A 70 -5.391 33.604 72.497 1.00 44.11 N ATOM 1102 CE2 TRP A 70 -4.797 33.951 73.681 1.00 74.54 C ATOM 1103 CE3 TRP A 70 -2.564 34.313 74.530 1.00 34.51 C ATOM 1104 CZ2 TRP A 70 -5.363 34.242 74.919 1.00 53.51 C ATOM 1105 CZ3 TRP A 70 -3.129 34.601 75.758 1.00 44.42 C ATOM 1106 CH2 TRP A 70 -4.517 34.563 75.946 1.00 63.43 C ATOM 0 H TRP A 70 0.539 33.241 70.922 1.00 44.04 H new ATOM 0 HA TRP A 70 -1.186 31.985 72.724 1.00 70.21 H new ATOM 0 HB2 TRP A 70 -1.225 34.360 71.717 1.00 63.11 H new ATOM 0 HB3 TRP A 70 -2.013 33.648 70.323 1.00 63.11 H new ATOM 0 HD1 TRP A 70 -4.596 33.132 70.521 1.00 71.53 H new ATOM 0 HE1 TRP A 70 -6.394 33.503 72.344 1.00 44.11 H new ATOM 0 HE3 TRP A 70 -1.493 34.343 74.397 1.00 34.51 H new ATOM 0 HZ2 TRP A 70 -6.433 34.215 75.064 1.00 53.51 H new ATOM 0 HZ3 TRP A 70 -2.489 34.860 76.588 1.00 44.42 H new ATOM 0 HH2 TRP A 70 -4.927 34.791 76.919 1.00 63.43 H new ATOM 1117 N ALA A 71 -1.333 30.835 69.675 1.00 1.51 N ATOM 1118 CA ALA A 71 -1.891 29.780 68.838 1.00 61.00 C ATOM 1119 C ALA A 71 -2.046 28.481 69.622 1.00 52.04 C ATOM 1120 O ALA A 71 -3.044 27.773 69.481 1.00 41.34 O ATOM 1121 CB ALA A 71 -1.015 29.558 67.615 1.00 62.23 C ATOM 0 H ALA A 71 -0.562 31.348 69.248 1.00 1.51 H new ATOM 0 HA ALA A 71 -2.881 30.096 68.510 1.00 61.00 H new ATOM 0 HB1 ALA A 71 -1.444 28.767 66.999 1.00 62.23 H new ATOM 0 HB2 ALA A 71 -0.959 30.479 67.036 1.00 62.23 H new ATOM 0 HB3 ALA A 71 -0.014 29.268 67.933 1.00 62.23 H new ATOM 1127 N LYS A 72 -1.053 28.173 70.450 1.00 11.03 N ATOM 1128 CA LYS A 72 -1.079 26.960 71.258 1.00 45.32 C ATOM 1129 C LYS A 72 -2.461 26.738 71.863 1.00 14.43 C ATOM 1130 O LYS A 72 -2.847 25.606 72.154 1.00 63.10 O ATOM 1131 CB LYS A 72 -0.030 27.040 72.370 1.00 75.53 C ATOM 1132 CG LYS A 72 1.380 26.727 71.900 1.00 54.30 C ATOM 1133 CD LYS A 72 1.580 25.235 71.695 1.00 50.32 C ATOM 1134 CE LYS A 72 1.683 24.883 70.219 1.00 74.44 C ATOM 1135 NZ LYS A 72 3.091 24.638 69.803 1.00 12.11 N ATOM 0 H LYS A 72 -0.220 28.747 70.579 1.00 11.03 H new ATOM 0 HA LYS A 72 -0.847 26.116 70.608 1.00 45.32 H new ATOM 0 HB2 LYS A 72 -0.046 28.041 72.802 1.00 75.53 H new ATOM 0 HB3 LYS A 72 -0.302 26.345 73.165 1.00 75.53 H new ATOM 0 HG2 LYS A 72 1.579 27.253 70.967 1.00 54.30 H new ATOM 0 HG3 LYS A 72 2.099 27.094 72.632 1.00 54.30 H new ATOM 0 HD2 LYS A 72 2.485 24.914 72.210 1.00 50.32 H new ATOM 0 HD3 LYS A 72 0.748 24.691 72.143 1.00 50.32 H new ATOM 0 HE2 LYS A 72 1.085 23.995 70.015 1.00 74.44 H new ATOM 0 HE3 LYS A 72 1.264 25.694 69.623 1.00 74.44 H new ATOM 0 HZ1 LYS A 72 3.118 24.401 68.791 1.00 12.11 H new ATOM 0 HZ2 LYS A 72 3.657 25.494 69.974 1.00 12.11 H new ATOM 0 HZ3 LYS A 72 3.483 23.848 70.354 1.00 12.11 H new ATOM 1149 N GLN A 73 -3.202 27.826 72.050 1.00 23.35 N ATOM 1150 CA GLN A 73 -4.541 27.748 72.619 1.00 34.35 C ATOM 1151 C GLN A 73 -5.481 26.972 71.702 1.00 64.44 C ATOM 1152 O GLN A 73 -6.033 25.942 72.089 1.00 25.33 O ATOM 1153 CB GLN A 73 -5.096 29.153 72.865 1.00 34.34 C ATOM 1154 CG GLN A 73 -4.575 29.798 74.139 1.00 54.34 C ATOM 1155 CD GLN A 73 -5.540 29.660 75.300 1.00 13.20 C ATOM 1156 OE1 GLN A 73 -5.690 28.580 75.873 1.00 22.30 O ATOM 1157 NE2 GLN A 73 -6.201 30.756 75.654 1.00 41.34 N ATOM 0 H GLN A 73 -2.897 28.771 71.816 1.00 23.35 H new ATOM 0 HA GLN A 73 -4.473 27.219 73.569 1.00 34.35 H new ATOM 0 HB2 GLN A 73 -4.843 29.788 72.016 1.00 34.34 H new ATOM 0 HB3 GLN A 73 -6.184 29.102 72.912 1.00 34.34 H new ATOM 0 HG2 GLN A 73 -3.622 29.343 74.408 1.00 54.34 H new ATOM 0 HG3 GLN A 73 -4.383 30.855 73.954 1.00 54.34 H new ATOM 0 HE21 GLN A 73 -6.046 31.630 75.151 1.00 41.34 H new ATOM 0 HE22 GLN A 73 -6.864 30.724 76.429 1.00 41.34 H new ATOM 1166 N HIS A 74 -5.656 27.473 70.483 1.00 31.42 N ATOM 1167 CA HIS A 74 -6.528 26.826 69.509 1.00 33.45 C ATOM 1168 C HIS A 74 -5.864 26.772 68.136 1.00 12.24 C ATOM 1169 O HIS A 74 -5.785 25.713 67.516 1.00 21.34 O ATOM 1170 CB HIS A 74 -7.862 27.568 69.414 1.00 64.21 C ATOM 1171 CG HIS A 74 -8.759 27.339 70.591 1.00 1.42 C ATOM 1172 ND1 HIS A 74 -8.392 27.635 71.887 1.00 32.13 N ATOM 1173 CD2 HIS A 74 -10.016 26.841 70.663 1.00 22.33 C ATOM 1174 CE1 HIS A 74 -9.383 27.327 72.704 1.00 62.31 C ATOM 1175 NE2 HIS A 74 -10.381 26.844 71.986 1.00 11.32 N ATOM 0 H HIS A 74 -5.206 28.324 70.147 1.00 31.42 H new ATOM 0 HA HIS A 74 -6.712 25.805 69.845 1.00 33.45 H new ATOM 0 HB2 HIS A 74 -7.668 28.636 69.318 1.00 64.21 H new ATOM 0 HB3 HIS A 74 -8.379 27.255 68.507 1.00 64.21 H new ATOM 0 HD2 HIS A 74 -10.620 26.504 69.833 1.00 22.33 H new ATOM 0 HE1 HIS A 74 -9.378 27.449 73.777 1.00 62.31 H new ATOM 0 HE2 HIS A 74 -11.277 26.525 72.355 1.00 11.32 H new ATOM 1183 N GLY A 75 -5.388 27.922 67.669 1.00 33.33 N ATOM 1184 CA GLY A 75 -4.738 27.984 66.373 1.00 21.33 C ATOM 1185 C GLY A 75 -5.728 28.133 65.234 1.00 1.41 C ATOM 1186 O GLY A 75 -5.363 28.542 64.131 1.00 55.55 O ATOM 0 H GLY A 75 -5.441 28.812 68.165 1.00 33.33 H new ATOM 0 HA2 GLY A 75 -4.043 28.824 66.358 1.00 21.33 H new ATOM 0 HA3 GLY A 75 -4.149 27.080 66.222 1.00 21.33 H new ATOM 1190 N THR A 76 -6.988 27.797 65.498 1.00 45.13 N ATOM 1191 CA THR A 76 -8.032 27.891 64.487 1.00 32.32 C ATOM 1192 C THR A 76 -8.656 29.283 64.470 1.00 2.01 C ATOM 1193 O THR A 76 -8.725 29.946 63.435 1.00 3.44 O ATOM 1194 CB THR A 76 -9.140 26.848 64.724 1.00 21.33 C ATOM 1195 OG1 THR A 76 -10.383 27.505 64.992 1.00 22.35 O ATOM 1196 CG2 THR A 76 -8.783 25.934 65.887 1.00 63.21 C ATOM 0 H THR A 76 -7.309 27.457 66.405 1.00 45.13 H new ATOM 0 HA THR A 76 -7.559 27.695 63.525 1.00 32.32 H new ATOM 0 HB THR A 76 -9.237 26.243 63.823 1.00 21.33 H new ATOM 0 HG1 THR A 76 -11.082 26.834 65.140 1.00 22.35 H new ATOM 0 HG21 THR A 76 -9.580 25.206 66.035 1.00 63.21 H new ATOM 0 HG22 THR A 76 -7.851 25.412 65.667 1.00 63.21 H new ATOM 0 HG23 THR A 76 -8.661 26.528 66.793 1.00 63.21 H new ATOM 1204 N PRO A 77 -9.121 29.738 65.643 1.00 60.23 N ATOM 1205 CA PRO A 77 -9.746 31.056 65.788 1.00 32.41 C ATOM 1206 C PRO A 77 -8.744 32.194 65.632 1.00 44.55 C ATOM 1207 O PRO A 77 -9.088 33.307 65.236 1.00 24.22 O ATOM 1208 CB PRO A 77 -10.305 31.027 67.213 1.00 32.23 C ATOM 1209 CG PRO A 77 -9.455 30.040 67.934 1.00 63.12 C ATOM 1210 CD PRO A 77 -9.072 29.001 66.917 1.00 61.21 C ATOM 0 HA PRO A 77 -10.500 31.236 65.022 1.00 32.41 H new ATOM 0 HB2 PRO A 77 -10.251 32.011 67.679 1.00 32.23 H new ATOM 0 HB3 PRO A 77 -11.353 30.727 67.221 1.00 32.23 H new ATOM 0 HG2 PRO A 77 -8.571 30.520 68.354 1.00 63.12 H new ATOM 0 HG3 PRO A 77 -9.999 29.591 68.765 1.00 63.12 H new ATOM 0 HD2 PRO A 77 -8.078 28.597 67.110 1.00 61.21 H new ATOM 0 HD3 PRO A 77 -9.765 28.159 66.922 1.00 61.21 H new ATOM 1218 N PRO A 78 -7.472 31.910 65.951 1.00 42.24 N ATOM 1219 CA PRO A 78 -6.392 32.898 65.854 1.00 24.50 C ATOM 1220 C PRO A 78 -6.055 33.247 64.408 1.00 1.42 C ATOM 1221 O PRO A 78 -5.773 32.366 63.595 1.00 2.32 O ATOM 1222 CB PRO A 78 -5.208 32.197 66.525 1.00 31.12 C ATOM 1223 CG PRO A 78 -5.493 30.743 66.372 1.00 44.11 C ATOM 1224 CD PRO A 78 -6.989 30.604 66.432 1.00 61.23 C ATOM 0 HA PRO A 78 -6.663 33.846 66.320 1.00 24.50 H new ATOM 0 HB2 PRO A 78 -4.266 32.468 66.049 1.00 31.12 H new ATOM 0 HB3 PRO A 78 -5.126 32.476 67.575 1.00 31.12 H new ATOM 0 HG2 PRO A 78 -5.104 30.367 65.426 1.00 44.11 H new ATOM 0 HG3 PRO A 78 -5.016 30.167 67.164 1.00 44.11 H new ATOM 0 HD2 PRO A 78 -7.342 29.788 65.802 1.00 61.23 H new ATOM 0 HD3 PRO A 78 -7.333 30.396 67.445 1.00 61.23 H new ATOM 1232 N THR A 79 -6.085 34.538 64.093 1.00 44.12 N ATOM 1233 CA THR A 79 -5.783 35.003 62.746 1.00 63.22 C ATOM 1234 C THR A 79 -5.177 36.401 62.769 1.00 43.35 C ATOM 1235 O THR A 79 -5.438 37.186 63.681 1.00 4.10 O ATOM 1236 CB THR A 79 -7.043 35.017 61.860 1.00 73.23 C ATOM 1237 OG1 THR A 79 -7.805 33.824 62.074 1.00 4.25 O ATOM 1238 CG2 THR A 79 -6.671 35.131 60.390 1.00 63.55 C ATOM 0 H THR A 79 -6.316 35.280 64.753 1.00 44.12 H new ATOM 0 HA THR A 79 -5.060 34.304 62.326 1.00 63.22 H new ATOM 0 HB THR A 79 -7.643 35.885 62.134 1.00 73.23 H new ATOM 0 HG1 THR A 79 -8.605 33.841 61.508 1.00 4.25 H new ATOM 0 HG21 THR A 79 -7.578 35.139 59.785 1.00 63.55 H new ATOM 0 HG22 THR A 79 -6.117 36.055 60.226 1.00 63.55 H new ATOM 0 HG23 THR A 79 -6.052 34.281 60.104 1.00 63.55 H new ATOM 1246 N ALA A 80 -4.365 36.707 61.762 1.00 42.21 N ATOM 1247 CA ALA A 80 -3.723 38.012 61.666 1.00 74.00 C ATOM 1248 C ALA A 80 -4.723 39.135 61.924 1.00 60.42 C ATOM 1249 O ALA A 80 -4.352 40.216 62.382 1.00 13.35 O ATOM 1250 CB ALA A 80 -3.075 38.184 60.301 1.00 2.23 C ATOM 0 H ALA A 80 -4.136 36.068 61.001 1.00 42.21 H new ATOM 0 HA ALA A 80 -2.949 38.065 62.432 1.00 74.00 H new ATOM 0 HB1 ALA A 80 -2.600 39.163 60.245 1.00 2.23 H new ATOM 0 HB2 ALA A 80 -2.324 37.407 60.154 1.00 2.23 H new ATOM 0 HB3 ALA A 80 -3.836 38.105 59.524 1.00 2.23 H new ATOM 1256 N SER A 81 -5.991 38.873 61.624 1.00 50.50 N ATOM 1257 CA SER A 81 -7.044 39.863 61.818 1.00 53.31 C ATOM 1258 C SER A 81 -7.442 39.951 63.289 1.00 1.45 C ATOM 1259 O SER A 81 -7.856 41.005 63.769 1.00 35.41 O ATOM 1260 CB SER A 81 -8.266 39.513 60.967 1.00 55.41 C ATOM 1261 OG SER A 81 -8.020 39.763 59.595 1.00 63.03 O ATOM 0 H SER A 81 -6.314 37.983 61.245 1.00 50.50 H new ATOM 0 HA SER A 81 -6.659 40.833 61.505 1.00 53.31 H new ATOM 0 HB2 SER A 81 -8.523 38.463 61.108 1.00 55.41 H new ATOM 0 HB3 SER A 81 -9.124 40.098 61.298 1.00 55.41 H new ATOM 0 HG SER A 81 -8.815 39.530 59.072 1.00 63.03 H new ATOM 1267 N ASP A 82 -7.312 38.835 63.998 1.00 60.32 N ATOM 1268 CA ASP A 82 -7.657 38.784 65.414 1.00 61.13 C ATOM 1269 C ASP A 82 -6.447 39.120 66.280 1.00 1.34 C ATOM 1270 O ASP A 82 -6.517 39.980 67.159 1.00 21.45 O ATOM 1271 CB ASP A 82 -8.194 37.400 65.781 1.00 34.01 C ATOM 1272 CG ASP A 82 -9.362 36.982 64.907 1.00 72.04 C ATOM 1273 OD1 ASP A 82 -9.479 37.511 63.782 1.00 3.45 O ATOM 1274 OD2 ASP A 82 -10.157 36.128 65.350 1.00 3.30 O ATOM 0 H ASP A 82 -6.970 37.953 63.615 1.00 60.32 H new ATOM 0 HA ASP A 82 -8.433 39.527 65.601 1.00 61.13 H new ATOM 0 HB2 ASP A 82 -7.393 36.666 65.688 1.00 34.01 H new ATOM 0 HB3 ASP A 82 -8.507 37.400 66.825 1.00 34.01 H new ATOM 1279 N VAL A 83 -5.337 38.434 66.028 1.00 51.33 N ATOM 1280 CA VAL A 83 -4.110 38.658 66.785 1.00 32.44 C ATOM 1281 C VAL A 83 -3.772 40.143 66.854 1.00 24.32 C ATOM 1282 O VAL A 83 -3.042 40.584 67.742 1.00 20.33 O ATOM 1283 CB VAL A 83 -2.922 37.900 66.164 1.00 52.23 C ATOM 1284 CG1 VAL A 83 -1.703 37.986 67.071 1.00 44.41 C ATOM 1285 CG2 VAL A 83 -3.296 36.450 65.898 1.00 21.42 C ATOM 0 H VAL A 83 -5.262 37.718 65.305 1.00 51.33 H new ATOM 0 HA VAL A 83 -4.285 38.281 67.793 1.00 32.44 H new ATOM 0 HB VAL A 83 -2.672 38.368 65.212 1.00 52.23 H new ATOM 0 HG11 VAL A 83 -0.873 37.445 66.617 1.00 44.41 H new ATOM 0 HG12 VAL A 83 -1.424 39.031 67.207 1.00 44.41 H new ATOM 0 HG13 VAL A 83 -1.938 37.544 68.039 1.00 44.41 H new ATOM 0 HG21 VAL A 83 -2.445 35.929 65.459 1.00 21.42 H new ATOM 0 HG22 VAL A 83 -3.572 35.968 66.836 1.00 21.42 H new ATOM 0 HG23 VAL A 83 -4.139 36.412 65.208 1.00 21.42 H new ATOM 1295 N VAL A 84 -4.306 40.911 65.909 1.00 31.41 N ATOM 1296 CA VAL A 84 -4.061 42.347 65.863 1.00 34.20 C ATOM 1297 C VAL A 84 -4.822 43.070 66.969 1.00 40.20 C ATOM 1298 O VAL A 84 -4.375 44.099 67.474 1.00 71.01 O ATOM 1299 CB VAL A 84 -4.469 42.943 64.502 1.00 50.21 C ATOM 1300 CG1 VAL A 84 -3.526 42.469 63.408 1.00 5.14 C ATOM 1301 CG2 VAL A 84 -5.909 42.579 64.171 1.00 10.32 C ATOM 0 H VAL A 84 -4.911 40.562 65.165 1.00 31.41 H new ATOM 0 HA VAL A 84 -2.990 42.490 66.008 1.00 34.20 H new ATOM 0 HB VAL A 84 -4.398 44.029 64.564 1.00 50.21 H new ATOM 0 HG11 VAL A 84 -3.830 42.900 62.454 1.00 5.14 H new ATOM 0 HG12 VAL A 84 -2.509 42.785 63.642 1.00 5.14 H new ATOM 0 HG13 VAL A 84 -3.562 41.382 63.343 1.00 5.14 H new ATOM 0 HG21 VAL A 84 -6.180 43.008 63.206 1.00 10.32 H new ATOM 0 HG22 VAL A 84 -6.009 41.495 64.127 1.00 10.32 H new ATOM 0 HG23 VAL A 84 -6.570 42.973 64.942 1.00 10.32 H new ATOM 1311 N GLY A 85 -5.974 42.523 67.343 1.00 33.10 N ATOM 1312 CA GLY A 85 -6.779 43.128 68.388 1.00 0.30 C ATOM 1313 C GLY A 85 -7.087 42.163 69.515 1.00 42.42 C ATOM 1314 O GLY A 85 -7.771 42.517 70.476 1.00 22.54 O ATOM 0 H GLY A 85 -6.365 41.671 66.941 1.00 33.10 H new ATOM 0 HA2 GLY A 85 -6.255 43.995 68.790 1.00 0.30 H new ATOM 0 HA3 GLY A 85 -7.713 43.490 67.959 1.00 0.30 H new ATOM 1318 N MET A 86 -6.582 40.939 69.399 1.00 64.32 N ATOM 1319 CA MET A 86 -6.808 39.919 70.417 1.00 64.12 C ATOM 1320 C MET A 86 -5.936 40.173 71.642 1.00 3.23 C ATOM 1321 O MET A 86 -6.366 40.006 72.785 1.00 63.55 O ATOM 1322 CB MET A 86 -6.518 38.528 69.848 1.00 74.13 C ATOM 1323 CG MET A 86 -6.471 37.438 70.906 1.00 52.14 C ATOM 1324 SD MET A 86 -6.601 35.783 70.204 1.00 12.02 S ATOM 1325 CE MET A 86 -5.036 35.655 69.343 1.00 63.24 C ATOM 0 H MET A 86 -6.014 40.629 68.611 1.00 64.32 H new ATOM 0 HA MET A 86 -7.854 39.968 70.721 1.00 64.12 H new ATOM 0 HB2 MET A 86 -7.284 38.278 69.114 1.00 74.13 H new ATOM 0 HB3 MET A 86 -5.565 38.552 69.320 1.00 74.13 H new ATOM 0 HG2 MET A 86 -5.539 37.519 71.465 1.00 52.14 H new ATOM 0 HG3 MET A 86 -7.283 37.592 71.617 1.00 52.14 H new ATOM 0 HE1 MET A 86 -4.896 34.633 68.992 1.00 63.24 H new ATOM 0 HE2 MET A 86 -5.033 36.335 68.491 1.00 63.24 H new ATOM 0 HE3 MET A 86 -4.225 35.920 70.021 1.00 63.24 H new ATOM 1335 N PRO A 87 -4.682 40.583 71.403 1.00 72.52 N ATOM 1336 CA PRO A 87 -3.724 40.868 72.475 1.00 51.01 C ATOM 1337 C PRO A 87 -4.089 42.123 73.261 1.00 14.33 C ATOM 1338 O PRO A 87 -5.205 42.632 73.152 1.00 4.35 O ATOM 1339 CB PRO A 87 -2.404 41.071 71.728 1.00 31.41 C ATOM 1340 CG PRO A 87 -2.806 41.506 70.360 1.00 51.25 C ATOM 1341 CD PRO A 87 -4.102 40.802 70.067 1.00 22.11 C ATOM 0 HA PRO A 87 -3.692 40.068 73.215 1.00 51.01 H new ATOM 0 HB2 PRO A 87 -1.784 41.823 72.216 1.00 31.41 H new ATOM 0 HB3 PRO A 87 -1.822 40.150 71.696 1.00 31.41 H new ATOM 0 HG2 PRO A 87 -2.931 42.588 70.315 1.00 51.25 H new ATOM 0 HG3 PRO A 87 -2.044 41.242 69.627 1.00 51.25 H new ATOM 0 HD2 PRO A 87 -4.756 41.408 69.440 1.00 22.11 H new ATOM 0 HD3 PRO A 87 -3.938 39.861 69.541 1.00 22.11 H new ATOM 1349 N GLN A 88 -3.143 42.616 74.053 1.00 71.43 N ATOM 1350 CA GLN A 88 -3.367 43.812 74.857 1.00 1.43 C ATOM 1351 C GLN A 88 -3.249 45.071 74.005 1.00 25.25 C ATOM 1352 O GLN A 88 -4.183 45.870 73.929 1.00 45.42 O ATOM 1353 CB GLN A 88 -2.367 43.869 76.014 1.00 23.22 C ATOM 1354 CG GLN A 88 -0.969 43.409 75.632 1.00 12.21 C ATOM 1355 CD GLN A 88 -0.555 42.141 76.352 1.00 52.41 C ATOM 1356 OE1 GLN A 88 -0.966 41.041 75.981 1.00 42.35 O ATOM 1357 NE2 GLN A 88 0.262 42.288 77.389 1.00 24.01 N ATOM 0 H GLN A 88 -2.215 42.206 74.155 1.00 71.43 H new ATOM 0 HA GLN A 88 -4.378 43.763 75.262 1.00 1.43 H new ATOM 0 HB2 GLN A 88 -2.315 44.891 76.388 1.00 23.22 H new ATOM 0 HB3 GLN A 88 -2.734 43.249 76.832 1.00 23.22 H new ATOM 0 HG2 GLN A 88 -0.927 43.241 74.556 1.00 12.21 H new ATOM 0 HG3 GLN A 88 -0.255 44.201 75.859 1.00 12.21 H new ATOM 0 HE21 GLN A 88 0.578 43.219 77.661 1.00 24.01 H new ATOM 0 HE22 GLN A 88 0.574 41.470 77.913 1.00 24.01 H new ATOM 1366 N TRP A 89 -2.098 45.241 73.366 1.00 22.43 N ATOM 1367 CA TRP A 89 -1.859 46.404 72.519 1.00 51.14 C ATOM 1368 C TRP A 89 -3.083 46.717 71.665 1.00 41.14 C ATOM 1369 O TRP A 89 -3.220 47.823 71.145 1.00 70.11 O ATOM 1370 CB TRP A 89 -0.642 46.166 71.621 1.00 15.41 C ATOM 1371 CG TRP A 89 -0.645 44.820 70.964 1.00 21.20 C ATOM 1372 CD1 TRP A 89 -1.179 44.503 69.747 1.00 61.23 C ATOM 1373 CD2 TRP A 89 -0.088 43.609 71.487 1.00 54.32 C ATOM 1374 NE1 TRP A 89 -0.988 43.168 69.483 1.00 2.33 N ATOM 1375 CE2 TRP A 89 -0.320 42.598 70.534 1.00 12.21 C ATOM 1376 CE3 TRP A 89 0.586 43.281 72.666 1.00 54.33 C ATOM 1377 CZ2 TRP A 89 0.097 41.283 70.728 1.00 23.21 C ATOM 1378 CZ3 TRP A 89 0.999 41.977 72.858 1.00 24.34 C ATOM 1379 CH2 TRP A 89 0.755 40.990 71.892 1.00 33.42 C ATOM 0 H TRP A 89 -1.315 44.589 73.418 1.00 22.43 H new ATOM 0 HA TRP A 89 -1.663 47.259 73.166 1.00 51.14 H new ATOM 0 HB2 TRP A 89 -0.610 46.938 70.852 1.00 15.41 H new ATOM 0 HB3 TRP A 89 0.266 46.270 72.216 1.00 15.41 H new ATOM 0 HD1 TRP A 89 -1.678 45.199 69.089 1.00 61.23 H new ATOM 0 HE1 TRP A 89 -1.294 42.681 68.641 1.00 2.33 H new ATOM 0 HE3 TRP A 89 0.781 44.034 73.415 1.00 54.33 H new ATOM 0 HZ2 TRP A 89 -0.092 40.521 69.986 1.00 23.21 H new ATOM 0 HZ3 TRP A 89 1.519 41.713 73.767 1.00 24.34 H new ATOM 0 HH2 TRP A 89 1.093 39.980 72.070 1.00 33.42 H new ATOM 1390 N GLN A 90 -3.967 45.735 71.525 1.00 34.12 N ATOM 1391 CA GLN A 90 -5.179 45.907 70.733 1.00 75.50 C ATOM 1392 C GLN A 90 -5.756 47.307 70.918 1.00 23.54 C ATOM 1393 O GLN A 90 -6.014 48.015 69.944 1.00 13.32 O ATOM 1394 CB GLN A 90 -6.222 44.858 71.124 1.00 24.51 C ATOM 1395 CG GLN A 90 -7.632 45.205 70.675 1.00 74.50 C ATOM 1396 CD GLN A 90 -8.661 44.998 71.769 1.00 22.52 C ATOM 1397 OE1 GLN A 90 -9.387 46.057 72.108 1.00 43.21 O flip ATOM 1398 NE2 GLN A 90 -8.802 43.898 72.304 1.00 50.12 N flip ATOM 0 H GLN A 90 -3.867 44.813 71.949 1.00 34.12 H new ATOM 0 HA GLN A 90 -4.918 45.777 69.683 1.00 75.50 H new ATOM 0 HB2 GLN A 90 -5.938 43.898 70.693 1.00 24.51 H new ATOM 0 HB3 GLN A 90 -6.214 44.736 72.207 1.00 24.51 H new ATOM 0 HG2 GLN A 90 -7.659 46.244 70.348 1.00 74.50 H new ATOM 0 HG3 GLN A 90 -7.896 44.592 69.813 1.00 74.50 H new ATOM 0 HE21 GLN A 90 -8.222 43.111 72.012 1.00 50.12 H new ATOM 0 HE22 GLN A 90 -9.498 43.774 73.039 1.00 50.12 H new ATOM 1407 N GLU A 91 -5.956 47.699 72.172 1.00 52.01 N ATOM 1408 CA GLU A 91 -6.503 49.015 72.483 1.00 31.54 C ATOM 1409 C GLU A 91 -5.424 50.090 72.387 1.00 42.44 C ATOM 1410 O GLU A 91 -5.602 51.106 71.715 1.00 13.44 O ATOM 1411 CB GLU A 91 -7.119 49.017 73.884 1.00 74.44 C ATOM 1412 CG GLU A 91 -8.620 49.255 73.888 1.00 42.42 C ATOM 1413 CD GLU A 91 -9.215 49.193 75.281 1.00 52.02 C ATOM 1414 OE1 GLU A 91 -8.545 49.646 76.234 1.00 64.33 O ATOM 1415 OE2 GLU A 91 -10.351 48.693 75.420 1.00 53.15 O ATOM 0 H GLU A 91 -5.748 47.125 72.989 1.00 52.01 H new ATOM 0 HA GLU A 91 -7.280 49.240 71.752 1.00 31.54 H new ATOM 0 HB2 GLU A 91 -6.910 48.062 74.365 1.00 74.44 H new ATOM 0 HB3 GLU A 91 -6.636 49.788 74.483 1.00 74.44 H new ATOM 0 HG2 GLU A 91 -8.831 50.230 73.450 1.00 42.42 H new ATOM 0 HG3 GLU A 91 -9.104 48.510 73.256 1.00 42.42 H new ATOM 1422 N TYR A 92 -4.305 49.858 73.065 1.00 14.21 N ATOM 1423 CA TYR A 92 -3.198 50.807 73.059 1.00 12.33 C ATOM 1424 C TYR A 92 -2.899 51.287 71.643 1.00 4.43 C ATOM 1425 O TYR A 92 -3.035 52.471 71.333 1.00 31.54 O ATOM 1426 CB TYR A 92 -1.948 50.167 73.668 1.00 54.11 C ATOM 1427 CG TYR A 92 -2.067 49.898 75.151 1.00 33.13 C ATOM 1428 CD1 TYR A 92 -2.601 50.851 76.010 1.00 10.04 C ATOM 1429 CD2 TYR A 92 -1.645 48.691 75.694 1.00 25.11 C ATOM 1430 CE1 TYR A 92 -2.711 50.609 77.365 1.00 14.12 C ATOM 1431 CE2 TYR A 92 -1.753 48.439 77.048 1.00 63.51 C ATOM 1432 CZ TYR A 92 -2.286 49.402 77.880 1.00 64.43 C ATOM 1433 OH TYR A 92 -2.394 49.156 79.229 1.00 71.54 O ATOM 0 H TYR A 92 -4.141 49.022 73.625 1.00 14.21 H new ATOM 0 HA TYR A 92 -3.488 51.669 73.661 1.00 12.33 H new ATOM 0 HB2 TYR A 92 -1.742 49.229 73.152 1.00 54.11 H new ATOM 0 HB3 TYR A 92 -1.093 50.821 73.493 1.00 54.11 H new ATOM 0 HD1 TYR A 92 -2.936 51.797 75.611 1.00 10.04 H new ATOM 0 HD2 TYR A 92 -1.225 47.936 75.046 1.00 25.11 H new ATOM 0 HE1 TYR A 92 -3.128 51.361 78.018 1.00 14.12 H new ATOM 0 HE2 TYR A 92 -1.422 47.494 77.453 1.00 63.51 H new ATOM 0 HH TYR A 92 -2.051 48.260 79.427 1.00 71.54 H new ATOM 1443 N THR A 93 -2.490 50.357 70.784 1.00 72.24 N ATOM 1444 CA THR A 93 -2.170 50.684 69.400 1.00 33.14 C ATOM 1445 C THR A 93 -3.213 51.621 68.801 1.00 55.24 C ATOM 1446 O THR A 93 -2.888 52.490 67.992 1.00 24.24 O ATOM 1447 CB THR A 93 -2.077 49.416 68.531 1.00 15.24 C ATOM 1448 OG1 THR A 93 -1.246 49.662 67.391 1.00 51.02 O ATOM 1449 CG2 THR A 93 -3.458 48.972 68.072 1.00 24.51 C ATOM 0 H THR A 93 -2.373 49.372 71.023 1.00 72.24 H new ATOM 0 HA THR A 93 -1.200 51.182 69.409 1.00 33.14 H new ATOM 0 HB THR A 93 -1.639 48.621 69.134 1.00 15.24 H new ATOM 0 HG1 THR A 93 -0.383 49.214 67.512 1.00 51.02 H new ATOM 0 HG21 THR A 93 -3.367 48.075 67.460 1.00 24.51 H new ATOM 0 HG22 THR A 93 -4.079 48.756 68.942 1.00 24.51 H new ATOM 0 HG23 THR A 93 -3.919 49.766 67.485 1.00 24.51 H new ATOM 1457 N ALA A 94 -4.466 51.440 69.205 1.00 54.01 N ATOM 1458 CA ALA A 94 -5.556 52.272 68.710 1.00 41.21 C ATOM 1459 C ALA A 94 -5.652 53.575 69.497 1.00 50.20 C ATOM 1460 O ALA A 94 -6.052 54.607 68.959 1.00 63.34 O ATOM 1461 CB ALA A 94 -6.872 51.513 68.779 1.00 72.02 C ATOM 0 H ALA A 94 -4.751 50.725 69.874 1.00 54.01 H new ATOM 0 HA ALA A 94 -5.347 52.521 67.670 1.00 41.21 H new ATOM 0 HB1 ALA A 94 -7.677 52.146 68.406 1.00 72.02 H new ATOM 0 HB2 ALA A 94 -6.805 50.613 68.168 1.00 72.02 H new ATOM 0 HB3 ALA A 94 -7.078 51.235 69.813 1.00 72.02 H new ATOM 1467 N MET A 95 -5.285 53.520 70.773 1.00 65.15 N ATOM 1468 CA MET A 95 -5.329 54.697 71.632 1.00 13.04 C ATOM 1469 C MET A 95 -4.438 55.806 71.083 1.00 11.12 C ATOM 1470 O MET A 95 -4.639 56.984 71.382 1.00 34.24 O ATOM 1471 CB MET A 95 -4.896 54.334 73.054 1.00 25.44 C ATOM 1472 CG MET A 95 -5.973 54.575 74.099 1.00 30.41 C ATOM 1473 SD MET A 95 -6.830 53.063 74.576 1.00 44.41 S ATOM 1474 CE MET A 95 -8.095 53.718 75.661 1.00 35.01 C ATOM 0 H MET A 95 -4.954 52.673 71.235 1.00 65.15 H new ATOM 0 HA MET A 95 -6.356 55.060 71.655 1.00 13.04 H new ATOM 0 HB2 MET A 95 -4.606 53.284 73.079 1.00 25.44 H new ATOM 0 HB3 MET A 95 -4.012 54.915 73.315 1.00 25.44 H new ATOM 0 HG2 MET A 95 -5.522 55.026 74.983 1.00 30.41 H new ATOM 0 HG3 MET A 95 -6.697 55.291 73.710 1.00 30.41 H new ATOM 0 HE1 MET A 95 -8.710 52.901 76.038 1.00 35.01 H new ATOM 0 HE2 MET A 95 -7.625 54.235 76.498 1.00 35.01 H new ATOM 0 HE3 MET A 95 -8.722 54.418 75.108 1.00 35.01 H new ATOM 1484 N LEU A 96 -3.451 55.422 70.281 1.00 73.50 N ATOM 1485 CA LEU A 96 -2.527 56.384 69.691 1.00 30.51 C ATOM 1486 C LEU A 96 -3.247 57.291 68.697 1.00 63.20 C ATOM 1487 O LEU A 96 -3.221 58.515 68.826 1.00 43.13 O ATOM 1488 CB LEU A 96 -1.377 55.656 68.993 1.00 32.23 C ATOM 1489 CG LEU A 96 -0.812 54.439 69.725 1.00 40.21 C ATOM 1490 CD1 LEU A 96 0.339 53.830 68.939 1.00 14.54 C ATOM 1491 CD2 LEU A 96 -0.359 54.822 71.126 1.00 51.05 C ATOM 0 H LEU A 96 -3.270 54.452 70.024 1.00 73.50 H new ATOM 0 HA LEU A 96 -2.124 57.002 70.493 1.00 30.51 H new ATOM 0 HB2 LEU A 96 -1.720 55.336 68.009 1.00 32.23 H new ATOM 0 HB3 LEU A 96 -0.567 56.367 68.833 1.00 32.23 H new ATOM 0 HG LEU A 96 -1.601 53.692 69.811 1.00 40.21 H new ATOM 0 HD11 LEU A 96 0.728 52.965 69.476 1.00 14.54 H new ATOM 0 HD12 LEU A 96 -0.016 53.518 67.957 1.00 14.54 H new ATOM 0 HD13 LEU A 96 1.131 54.570 68.821 1.00 14.54 H new ATOM 0 HD21 LEU A 96 0.040 53.943 71.632 1.00 51.05 H new ATOM 0 HD22 LEU A 96 0.415 55.587 71.062 1.00 51.05 H new ATOM 0 HD23 LEU A 96 -1.207 55.211 71.689 1.00 51.05 H new ATOM 1503 N ARG A 97 -3.890 56.681 67.706 1.00 34.11 N ATOM 1504 CA ARG A 97 -4.618 57.434 66.691 1.00 14.12 C ATOM 1505 C ARG A 97 -5.992 57.854 67.207 1.00 3.01 C ATOM 1506 O ARG A 97 -6.565 58.838 66.741 1.00 50.35 O ATOM 1507 CB ARG A 97 -4.774 56.597 65.420 1.00 23.31 C ATOM 1508 CG ARG A 97 -5.399 55.233 65.661 1.00 33.21 C ATOM 1509 CD ARG A 97 -4.650 54.138 64.918 1.00 4.44 C ATOM 1510 NE ARG A 97 -5.542 53.327 64.094 1.00 64.51 N ATOM 1511 CZ ARG A 97 -5.119 52.538 63.112 1.00 1.05 C ATOM 1512 NH1 ARG A 97 -3.825 52.453 62.835 1.00 2.05 N ATOM 1513 NH2 ARG A 97 -5.992 51.831 62.405 1.00 0.51 N ATOM 0 H ARG A 97 -3.922 55.669 67.584 1.00 34.11 H new ATOM 0 HA ARG A 97 -4.045 58.332 66.460 1.00 14.12 H new ATOM 0 HB2 ARG A 97 -5.387 57.147 64.706 1.00 23.31 H new ATOM 0 HB3 ARG A 97 -3.794 56.462 64.961 1.00 23.31 H new ATOM 0 HG2 ARG A 97 -5.399 55.015 66.729 1.00 33.21 H new ATOM 0 HG3 ARG A 97 -6.440 55.246 65.338 1.00 33.21 H new ATOM 0 HD2 ARG A 97 -3.883 54.587 64.288 1.00 4.44 H new ATOM 0 HD3 ARG A 97 -4.138 53.498 65.636 1.00 4.44 H new ATOM 0 HE ARG A 97 -6.544 53.368 64.282 1.00 64.51 H new ATOM 0 HH11 ARG A 97 -3.151 52.994 63.376 1.00 2.05 H new ATOM 0 HH12 ARG A 97 -3.504 51.846 62.081 1.00 2.05 H new ATOM 0 HH21 ARG A 97 -6.988 51.893 62.615 1.00 0.51 H new ATOM 0 HH22 ARG A 97 -5.667 51.226 61.651 1.00 0.51 H new ATOM 1527 N GLU A 98 -6.513 57.100 68.170 1.00 22.42 N ATOM 1528 CA GLU A 98 -7.820 57.395 68.747 1.00 23.30 C ATOM 1529 C GLU A 98 -7.696 58.403 69.886 1.00 51.01 C ATOM 1530 O GLU A 98 -8.349 59.447 69.878 1.00 44.45 O ATOM 1531 CB GLU A 98 -8.479 56.111 69.256 1.00 44.12 C ATOM 1532 CG GLU A 98 -9.753 56.353 70.045 1.00 35.45 C ATOM 1533 CD GLU A 98 -10.424 55.064 70.479 1.00 75.12 C ATOM 1534 OE1 GLU A 98 -10.083 54.556 71.568 1.00 11.53 O ATOM 1535 OE2 GLU A 98 -11.290 54.564 69.731 1.00 73.15 O ATOM 0 H GLU A 98 -6.051 56.282 68.567 1.00 22.42 H new ATOM 0 HA GLU A 98 -8.444 57.830 67.966 1.00 23.30 H new ATOM 0 HB2 GLU A 98 -8.705 55.467 68.406 1.00 44.12 H new ATOM 0 HB3 GLU A 98 -7.769 55.573 69.884 1.00 44.12 H new ATOM 0 HG2 GLU A 98 -9.522 56.953 70.926 1.00 35.45 H new ATOM 0 HG3 GLU A 98 -10.448 56.933 69.437 1.00 35.45 H new ATOM 1542 N ARG A 99 -6.856 58.082 70.864 1.00 3.41 N ATOM 1543 CA ARG A 99 -6.648 58.958 72.011 1.00 3.42 C ATOM 1544 C ARG A 99 -5.617 60.035 71.693 1.00 31.22 C ATOM 1545 O ARG A 99 -5.066 60.668 72.594 1.00 71.31 O ATOM 1546 CB ARG A 99 -6.194 58.144 73.225 1.00 65.11 C ATOM 1547 CG ARG A 99 -7.090 58.310 74.440 1.00 51.12 C ATOM 1548 CD ARG A 99 -7.199 59.768 74.857 1.00 55.12 C ATOM 1549 NE ARG A 99 -7.012 59.943 76.295 1.00 44.22 N ATOM 1550 CZ ARG A 99 -7.357 61.043 76.953 1.00 32.22 C ATOM 1551 NH1 ARG A 99 -7.907 62.062 76.306 1.00 44.41 N ATOM 1552 NH2 ARG A 99 -7.153 61.126 78.262 1.00 11.14 N ATOM 0 H ARG A 99 -6.308 57.222 70.885 1.00 3.41 H new ATOM 0 HA ARG A 99 -7.596 59.444 72.242 1.00 3.42 H new ATOM 0 HB2 ARG A 99 -6.159 57.089 72.952 1.00 65.11 H new ATOM 0 HB3 ARG A 99 -5.179 58.439 73.490 1.00 65.11 H new ATOM 0 HG2 ARG A 99 -8.083 57.919 74.217 1.00 51.12 H new ATOM 0 HG3 ARG A 99 -6.694 57.722 75.268 1.00 51.12 H new ATOM 0 HD2 ARG A 99 -6.453 60.355 74.321 1.00 55.12 H new ATOM 0 HD3 ARG A 99 -8.176 60.155 74.569 1.00 55.12 H new ATOM 0 HE ARG A 99 -6.593 59.177 76.823 1.00 44.22 H new ATOM 0 HH11 ARG A 99 -8.066 62.002 75.300 1.00 44.41 H new ATOM 0 HH12 ARG A 99 -8.171 62.906 76.814 1.00 44.41 H new ATOM 0 HH21 ARG A 99 -6.731 60.344 78.763 1.00 11.14 H new ATOM 0 HH22 ARG A 99 -7.418 61.972 78.767 1.00 11.14 H new ATOM 1566 N PHE A 100 -5.361 60.240 70.404 1.00 3.51 N ATOM 1567 CA PHE A 100 -4.394 61.240 69.967 1.00 32.23 C ATOM 1568 C PHE A 100 -4.767 62.623 70.493 1.00 34.31 C ATOM 1569 O PHE A 100 -5.749 63.221 70.055 1.00 55.23 O ATOM 1570 CB PHE A 100 -4.315 61.268 68.438 1.00 52.31 C ATOM 1571 CG PHE A 100 -5.449 62.010 67.793 1.00 72.52 C ATOM 1572 CD1 PHE A 100 -6.762 61.627 68.015 1.00 4.14 C ATOM 1573 CD2 PHE A 100 -5.203 63.094 66.963 1.00 13.44 C ATOM 1574 CE1 PHE A 100 -7.808 62.308 67.422 1.00 0.13 C ATOM 1575 CE2 PHE A 100 -6.246 63.779 66.369 1.00 42.12 C ATOM 1576 CZ PHE A 100 -7.550 63.385 66.598 1.00 22.23 C ATOM 0 H PHE A 100 -5.810 59.727 69.645 1.00 3.51 H new ATOM 0 HA PHE A 100 -3.419 60.968 70.370 1.00 32.23 H new ATOM 0 HB2 PHE A 100 -3.373 61.729 68.139 1.00 52.31 H new ATOM 0 HB3 PHE A 100 -4.302 60.244 68.064 1.00 52.31 H new ATOM 0 HD1 PHE A 100 -6.970 60.786 68.659 1.00 4.14 H new ATOM 0 HD2 PHE A 100 -4.186 63.406 66.779 1.00 13.44 H new ATOM 0 HE1 PHE A 100 -8.827 61.998 67.603 1.00 0.13 H new ATOM 0 HE2 PHE A 100 -6.042 64.622 65.726 1.00 42.12 H new ATOM 0 HZ PHE A 100 -8.366 63.918 66.133 1.00 22.23 H new ATOM 1586 N ALA A 101 -3.975 63.123 71.436 1.00 60.15 N ATOM 1587 CA ALA A 101 -4.219 64.435 72.022 1.00 33.30 C ATOM 1588 C ALA A 101 -3.077 65.397 71.712 1.00 10.52 C ATOM 1589 O ALA A 101 -3.291 66.595 71.533 1.00 10.23 O ATOM 1590 CB ALA A 101 -4.417 64.314 73.525 1.00 12.41 C ATOM 0 H ALA A 101 -3.159 62.639 71.810 1.00 60.15 H new ATOM 0 HA ALA A 101 -5.129 64.839 71.579 1.00 33.30 H new ATOM 0 HB1 ALA A 101 -4.598 65.302 73.949 1.00 12.41 H new ATOM 0 HB2 ALA A 101 -5.272 63.669 73.729 1.00 12.41 H new ATOM 0 HB3 ALA A 101 -3.523 63.884 73.976 1.00 12.41 H new ATOM 1596 N GLY A 102 -1.860 64.863 71.652 1.00 21.30 N ATOM 1597 CA GLY A 102 -0.702 65.688 71.364 1.00 1.11 C ATOM 1598 C GLY A 102 0.574 64.878 71.256 1.00 65.03 C ATOM 1599 O GLY A 102 1.642 65.328 71.674 1.00 1.03 O ATOM 0 H GLY A 102 -1.656 63.874 71.798 1.00 21.30 H new ATOM 0 HA2 GLY A 102 -0.867 66.227 70.431 1.00 1.11 H new ATOM 0 HA3 GLY A 102 -0.589 66.436 72.149 1.00 1.11 H new ATOM 1603 N LEU A 103 0.465 63.679 70.695 1.00 44.51 N ATOM 1604 CA LEU A 103 1.621 62.802 70.534 1.00 54.52 C ATOM 1605 C LEU A 103 2.260 62.989 69.162 1.00 32.54 C ATOM 1606 O LEU A 103 3.483 63.059 69.040 1.00 70.42 O ATOM 1607 CB LEU A 103 1.207 61.341 70.722 1.00 31.14 C ATOM 1608 CG LEU A 103 0.087 60.838 69.810 1.00 55.11 C ATOM 1609 CD1 LEU A 103 0.662 60.231 68.541 1.00 72.33 C ATOM 1610 CD2 LEU A 103 -0.782 59.826 70.542 1.00 13.13 C ATOM 0 H LEU A 103 -0.411 63.291 70.344 1.00 44.51 H new ATOM 0 HA LEU A 103 2.355 63.066 71.295 1.00 54.52 H new ATOM 0 HB2 LEU A 103 2.084 60.713 70.567 1.00 31.14 H new ATOM 0 HB3 LEU A 103 0.895 61.203 71.757 1.00 31.14 H new ATOM 0 HG LEU A 103 -0.536 61.687 69.530 1.00 55.11 H new ATOM 0 HD11 LEU A 103 -0.151 59.879 67.905 1.00 72.33 H new ATOM 0 HD12 LEU A 103 1.240 60.985 68.007 1.00 72.33 H new ATOM 0 HD13 LEU A 103 1.309 59.393 68.799 1.00 72.33 H new ATOM 0 HD21 LEU A 103 -1.574 59.479 69.878 1.00 13.13 H new ATOM 0 HD22 LEU A 103 -0.171 58.979 70.852 1.00 13.13 H new ATOM 0 HD23 LEU A 103 -1.225 60.295 71.421 1.00 13.13 H new