USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 895 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 114 THR OG1 : rot -25:sc= 0.722 USER MOD Set 1.2: A 125 THR OG1 : rot 65:sc= 0.469 USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= -0.142 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -7.46! C(o=-7.6!,f=-9.3!) USER MOD Set 3.1: A 71 HIS : no HD1:sc= -5.91 K(o=-6.1,f=-8) USER MOD Set 3.2: A 90 SER OG : rot 149:sc= 0.739 USER MOD Set 3.3: A 94 THR OG1 : rot 180:sc= -0.962 USER MOD Set 4.1: A 77 HIS : no HD1:sc= -11.7! C(o=-16!,f=-12!) USER MOD Set 4.2: A 79 HIS : no HE2:sc= -4.02! C(o=-16!,f=-13!) USER MOD Single : A 18 THR OG1 : rot -43:sc= 0.162 USER MOD Single : A 22 LYS NZ :NH3+ -142:sc= -3.87! (180deg=-6.65!) USER MOD Single : A 28 HIS : no HD1:sc= -3.69! K(o=-3.7!,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= -1.75 (180deg=-3.23!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.419 K(o=-0.42,f=-1.1) USER MOD Single : A 58 CYS SG : rot 123:sc= -4.11! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc=-0.00411 K(o=-0.0041,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= -6.57! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -30:sc= -3.07! USER MOD Single : A 78 LYS NZ :NH3+ -153:sc= 0.0305 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -3.28! C(o=-3.3!,f=-2.1!) USER MOD Single : A 98 HIS : no HD1:sc= -2.04! K(o=-2!,f=-0.74) USER MOD Single : A 104 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-2.8!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -2.18 X(o=-2.2,f=-1.7) USER MOD Single : A 108 GLN : amide:sc= -0.877 K(o=-0.88,f=-3.8!) USER MOD Single : A 113 SER OG : rot 100:sc= -4.9! USER MOD Single : A 116 SER OG : rot 44:sc= 0.504 USER MOD Single : A 124 TYR OH : rot 15:sc= -0.968 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 17 21.822 4.032 -18.702 1.00 32.54 N ATOM 215 CA PRO A 17 22.364 4.316 -20.019 1.00 74.14 C ATOM 216 C PRO A 17 23.830 3.890 -20.113 1.00 61.41 C ATOM 217 O PRO A 17 24.302 3.095 -19.302 1.00 23.22 O ATOM 218 CB PRO A 17 22.166 5.811 -20.212 1.00 21.32 C ATOM 219 CG PRO A 17 21.949 6.385 -18.821 1.00 62.12 C ATOM 220 CD PRO A 17 21.670 5.227 -17.877 1.00 72.12 C ATOM 0 HA PRO A 17 21.864 3.756 -20.809 1.00 74.14 H new ATOM 0 HB2 PRO A 17 23.036 6.262 -20.689 1.00 21.32 H new ATOM 0 HB3 PRO A 17 21.309 6.012 -20.856 1.00 21.32 H new ATOM 0 HG2 PRO A 17 22.829 6.939 -18.495 1.00 62.12 H new ATOM 0 HG3 PRO A 17 21.114 7.085 -18.823 1.00 62.12 H new ATOM 0 HD2 PRO A 17 22.368 5.222 -17.040 1.00 72.12 H new ATOM 0 HD3 PRO A 17 20.667 5.292 -17.456 1.00 72.12 H new ATOM 228 N THR A 18 24.510 4.437 -21.110 1.00 12.31 N ATOM 229 CA THR A 18 25.913 4.124 -21.320 1.00 70.21 C ATOM 230 C THR A 18 26.773 5.375 -21.131 1.00 30.11 C ATOM 231 O THR A 18 27.997 5.313 -21.234 1.00 61.51 O ATOM 232 CB THR A 18 26.054 3.493 -22.707 1.00 50.50 C ATOM 233 OG1 THR A 18 27.298 2.801 -22.649 1.00 32.33 O ATOM 234 CG2 THR A 18 26.260 4.537 -23.806 1.00 40.45 C ATOM 0 H THR A 18 24.115 5.095 -21.781 1.00 12.31 H new ATOM 0 HA THR A 18 26.273 3.407 -20.582 1.00 70.21 H new ATOM 0 HB THR A 18 25.165 2.902 -22.929 1.00 50.50 H new ATOM 0 HG1 THR A 18 27.967 3.367 -22.210 1.00 32.33 H new ATOM 0 HG21 THR A 18 26.354 4.037 -24.770 1.00 40.45 H new ATOM 0 HG22 THR A 18 25.406 5.213 -23.830 1.00 40.45 H new ATOM 0 HG23 THR A 18 27.167 5.106 -23.602 1.00 40.45 H new ATOM 242 N TRP A 19 26.098 6.482 -20.857 1.00 64.14 N ATOM 243 CA TRP A 19 26.785 7.746 -20.653 1.00 25.22 C ATOM 244 C TRP A 19 26.970 7.945 -19.147 1.00 52.52 C ATOM 245 O TRP A 19 27.574 8.926 -18.717 1.00 4.41 O ATOM 246 CB TRP A 19 26.028 8.896 -21.320 1.00 64.41 C ATOM 247 CG TRP A 19 24.508 8.720 -21.324 1.00 44.43 C ATOM 248 CD1 TRP A 19 23.763 8.007 -22.179 1.00 34.54 C ATOM 249 CD2 TRP A 19 23.573 9.302 -20.391 1.00 63.33 C ATOM 250 NE1 TRP A 19 22.421 8.085 -21.866 1.00 33.10 N ATOM 251 CE2 TRP A 19 22.302 8.897 -20.744 1.00 40.44 C ATOM 252 CE3 TRP A 19 23.794 10.141 -19.285 1.00 45.23 C ATOM 253 CZ2 TRP A 19 21.153 9.283 -20.044 1.00 53.01 C ATOM 254 CZ3 TRP A 19 22.636 10.518 -18.596 1.00 35.31 C ATOM 255 CH2 TRP A 19 21.349 10.119 -18.939 1.00 13.53 C ATOM 0 H TRP A 19 25.083 6.530 -20.772 1.00 64.14 H new ATOM 0 HA TRP A 19 27.767 7.732 -21.126 1.00 25.22 H new ATOM 0 HB2 TRP A 19 26.275 9.826 -20.807 1.00 64.41 H new ATOM 0 HB3 TRP A 19 26.375 8.998 -22.348 1.00 64.41 H new ATOM 0 HD1 TRP A 19 24.162 7.442 -23.009 1.00 34.54 H new ATOM 0 HE1 TRP A 19 21.657 7.630 -22.366 1.00 33.10 H new ATOM 0 HE3 TRP A 19 24.780 10.469 -18.990 1.00 45.23 H new ATOM 0 HZ2 TRP A 19 20.168 8.953 -20.341 1.00 53.01 H new ATOM 0 HZ3 TRP A 19 22.750 11.164 -17.738 1.00 35.31 H new ATOM 0 HH2 TRP A 19 20.504 10.453 -18.355 1.00 13.53 H new ATOM 266 N ALA A 20 26.438 6.999 -18.388 1.00 15.44 N ATOM 267 CA ALA A 20 26.536 7.059 -16.939 1.00 53.01 C ATOM 268 C ALA A 20 27.968 6.727 -16.515 1.00 72.42 C ATOM 269 O ALA A 20 28.587 5.817 -17.066 1.00 14.23 O ATOM 270 CB ALA A 20 25.509 6.110 -16.318 1.00 53.11 C ATOM 0 H ALA A 20 25.938 6.187 -18.749 1.00 15.44 H new ATOM 0 HA ALA A 20 26.310 8.063 -16.580 1.00 53.01 H new ATOM 0 HB1 ALA A 20 25.582 6.155 -15.231 1.00 53.11 H new ATOM 0 HB2 ALA A 20 24.506 6.406 -16.626 1.00 53.11 H new ATOM 0 HB3 ALA A 20 25.705 5.092 -16.653 1.00 53.11 H new ATOM 276 N GLY A 21 28.453 7.482 -15.540 1.00 72.45 N ATOM 277 CA GLY A 21 29.800 7.279 -15.036 1.00 64.54 C ATOM 278 C GLY A 21 29.871 7.556 -13.533 1.00 43.04 C ATOM 279 O GLY A 21 29.293 8.528 -13.050 1.00 73.11 O ATOM 0 H GLY A 21 27.937 8.235 -15.086 1.00 72.45 H new ATOM 0 HA2 GLY A 21 30.116 6.255 -15.236 1.00 64.54 H new ATOM 0 HA3 GLY A 21 30.492 7.935 -15.563 1.00 64.54 H new ATOM 283 N LYS A 22 30.585 6.685 -12.836 1.00 64.33 N ATOM 284 CA LYS A 22 30.739 6.824 -11.398 1.00 65.41 C ATOM 285 C LYS A 22 31.014 8.290 -11.058 1.00 55.02 C ATOM 286 O LYS A 22 32.028 8.848 -11.472 1.00 65.25 O ATOM 287 CB LYS A 22 31.810 5.862 -10.878 1.00 74.54 C ATOM 288 CG LYS A 22 31.321 5.119 -9.633 1.00 2.11 C ATOM 289 CD LYS A 22 30.740 3.753 -10.002 1.00 32.22 C ATOM 290 CE LYS A 22 29.355 3.899 -10.636 1.00 42.21 C ATOM 291 NZ LYS A 22 29.458 3.894 -12.112 1.00 43.25 N ATOM 0 H LYS A 22 31.064 5.880 -13.240 1.00 64.33 H new ATOM 0 HA LYS A 22 29.817 6.545 -10.888 1.00 65.41 H new ATOM 0 HB2 LYS A 22 32.068 5.144 -11.657 1.00 74.54 H new ATOM 0 HB3 LYS A 22 32.718 6.416 -10.642 1.00 74.54 H new ATOM 0 HG2 LYS A 22 32.148 4.990 -8.934 1.00 2.11 H new ATOM 0 HG3 LYS A 22 30.563 5.715 -9.124 1.00 2.11 H new ATOM 0 HD2 LYS A 22 31.410 3.244 -10.696 1.00 32.22 H new ATOM 0 HD3 LYS A 22 30.672 3.130 -9.110 1.00 32.22 H new ATOM 0 HE2 LYS A 22 28.710 3.084 -10.308 1.00 42.21 H new ATOM 0 HE3 LYS A 22 28.891 4.827 -10.301 1.00 42.21 H new ATOM 0 HZ1 LYS A 22 28.778 4.573 -12.510 1.00 43.25 H new ATOM 0 HZ2 LYS A 22 30.422 4.164 -12.394 1.00 43.25 H new ATOM 0 HZ3 LYS A 22 29.247 2.941 -12.472 1.00 43.25 H new ATOM 304 N PRO A 23 30.066 8.888 -10.287 1.00 40.15 N ATOM 305 CA PRO A 23 30.195 10.279 -9.887 1.00 63.12 C ATOM 306 C PRO A 23 31.243 10.437 -8.783 1.00 74.40 C ATOM 307 O PRO A 23 31.547 9.482 -8.070 1.00 35.23 O ATOM 308 CB PRO A 23 28.801 10.693 -9.447 1.00 33.23 C ATOM 309 CG PRO A 23 28.048 9.400 -9.176 1.00 42.11 C ATOM 310 CD PRO A 23 28.851 8.259 -9.779 1.00 30.45 C ATOM 0 HA PRO A 23 30.549 10.918 -10.696 1.00 63.12 H new ATOM 0 HB2 PRO A 23 28.842 11.316 -8.553 1.00 33.23 H new ATOM 0 HB3 PRO A 23 28.305 11.279 -10.221 1.00 33.23 H new ATOM 0 HG2 PRO A 23 27.918 9.251 -8.104 1.00 42.11 H new ATOM 0 HG3 PRO A 23 27.051 9.439 -9.615 1.00 42.11 H new ATOM 0 HD2 PRO A 23 29.081 7.499 -9.032 1.00 30.45 H new ATOM 0 HD3 PRO A 23 28.298 7.764 -10.577 1.00 30.45 H new ATOM 318 N PRO A 24 31.780 11.681 -8.674 1.00 15.43 N ATOM 319 CA PRO A 24 32.786 11.977 -7.668 1.00 62.44 C ATOM 320 C PRO A 24 32.157 12.088 -6.278 1.00 53.33 C ATOM 321 O PRO A 24 30.984 12.436 -6.150 1.00 40.31 O ATOM 322 CB PRO A 24 33.437 13.270 -8.131 1.00 62.34 C ATOM 323 CG PRO A 24 32.466 13.895 -9.120 1.00 21.41 C ATOM 324 CD PRO A 24 31.444 12.836 -9.501 1.00 53.41 C ATOM 0 HA PRO A 24 33.529 11.185 -7.571 1.00 62.44 H new ATOM 0 HB2 PRO A 24 33.621 13.938 -7.289 1.00 62.34 H new ATOM 0 HB3 PRO A 24 34.401 13.075 -8.600 1.00 62.34 H new ATOM 0 HG2 PRO A 24 31.973 14.760 -8.676 1.00 21.41 H new ATOM 0 HG3 PRO A 24 32.996 14.249 -10.004 1.00 21.41 H new ATOM 0 HD2 PRO A 24 30.428 13.179 -9.308 1.00 53.41 H new ATOM 0 HD3 PRO A 24 31.502 12.593 -10.562 1.00 53.41 H new ATOM 332 N PRO A 25 32.986 11.779 -5.246 1.00 34.35 N ATOM 333 CA PRO A 25 32.523 11.841 -3.870 1.00 14.03 C ATOM 334 C PRO A 25 32.414 13.291 -3.393 1.00 35.20 C ATOM 335 O PRO A 25 33.253 13.761 -2.627 1.00 43.01 O ATOM 336 CB PRO A 25 33.534 11.030 -3.077 1.00 63.40 C ATOM 337 CG PRO A 25 34.771 10.933 -3.955 1.00 43.31 C ATOM 338 CD PRO A 25 34.380 11.363 -5.360 1.00 24.33 C ATOM 0 HA PRO A 25 31.520 11.433 -3.745 1.00 14.03 H new ATOM 0 HB2 PRO A 25 33.765 11.514 -2.128 1.00 63.40 H new ATOM 0 HB3 PRO A 25 33.143 10.040 -2.842 1.00 63.40 H new ATOM 0 HG2 PRO A 25 35.565 11.571 -3.568 1.00 43.31 H new ATOM 0 HG3 PRO A 25 35.156 9.913 -3.961 1.00 43.31 H new ATOM 0 HD2 PRO A 25 35.009 12.180 -5.714 1.00 24.33 H new ATOM 0 HD3 PRO A 25 34.492 10.544 -6.070 1.00 24.33 H new ATOM 346 N GLY A 26 31.372 13.959 -3.866 1.00 34.22 N ATOM 347 CA GLY A 26 31.142 15.345 -3.497 1.00 54.43 C ATOM 348 C GLY A 26 29.797 15.840 -4.035 1.00 44.03 C ATOM 349 O GLY A 26 29.649 17.018 -4.358 1.00 23.32 O ATOM 0 H GLY A 26 30.678 13.566 -4.502 1.00 34.22 H new ATOM 0 HA2 GLY A 26 31.162 15.444 -2.412 1.00 54.43 H new ATOM 0 HA3 GLY A 26 31.946 15.968 -3.889 1.00 54.43 H new ATOM 353 N LEU A 27 28.852 14.915 -4.115 1.00 51.44 N ATOM 354 CA LEU A 27 27.525 15.243 -4.609 1.00 31.32 C ATOM 355 C LEU A 27 26.477 14.731 -3.619 1.00 32.14 C ATOM 356 O LEU A 27 26.784 13.915 -2.751 1.00 12.13 O ATOM 357 CB LEU A 27 27.337 14.713 -6.032 1.00 13.21 C ATOM 358 CG LEU A 27 28.433 15.080 -7.034 1.00 71.23 C ATOM 359 CD1 LEU A 27 28.505 14.054 -8.167 1.00 24.21 C ATOM 360 CD2 LEU A 27 28.240 16.503 -7.562 1.00 1.04 C ATOM 0 H LEU A 27 28.978 13.939 -3.846 1.00 51.44 H new ATOM 0 HA LEU A 27 27.400 16.324 -4.677 1.00 31.32 H new ATOM 0 HB2 LEU A 27 27.262 13.626 -5.987 1.00 13.21 H new ATOM 0 HB3 LEU A 27 26.385 15.082 -6.413 1.00 13.21 H new ATOM 0 HG LEU A 27 29.391 15.056 -6.515 1.00 71.23 H new ATOM 0 HD11 LEU A 27 29.292 14.338 -8.866 1.00 24.21 H new ATOM 0 HD12 LEU A 27 28.725 13.070 -7.753 1.00 24.21 H new ATOM 0 HD13 LEU A 27 27.549 14.022 -8.690 1.00 24.21 H new ATOM 0 HD21 LEU A 27 29.033 16.738 -8.272 1.00 1.04 H new ATOM 0 HD22 LEU A 27 27.273 16.579 -8.059 1.00 1.04 H new ATOM 0 HD23 LEU A 27 28.277 17.207 -6.731 1.00 1.04 H new ATOM 372 N HIS A 28 25.261 15.231 -3.782 1.00 10.33 N ATOM 373 CA HIS A 28 24.166 14.835 -2.913 1.00 32.01 C ATOM 374 C HIS A 28 22.871 15.500 -3.384 1.00 33.12 C ATOM 375 O HIS A 28 22.886 16.640 -3.846 1.00 22.22 O ATOM 376 CB HIS A 28 24.493 15.144 -1.451 1.00 22.13 C ATOM 377 CG HIS A 28 24.492 16.617 -1.119 1.00 42.22 C ATOM 378 ND1 HIS A 28 25.440 17.497 -1.612 1.00 52.22 N ATOM 379 CD2 HIS A 28 23.650 17.355 -0.341 1.00 14.03 C ATOM 380 CE1 HIS A 28 25.171 18.707 -1.144 1.00 54.13 C ATOM 381 NE2 HIS A 28 24.061 18.617 -0.356 1.00 61.21 N ATOM 0 H HIS A 28 25.010 15.907 -4.503 1.00 10.33 H new ATOM 0 HA HIS A 28 24.022 13.756 -2.972 1.00 32.01 H new ATOM 0 HB2 HIS A 28 23.769 14.638 -0.813 1.00 22.13 H new ATOM 0 HB3 HIS A 28 25.472 14.729 -1.213 1.00 22.13 H new ATOM 0 HD2 HIS A 28 22.793 16.977 0.197 1.00 14.03 H new ATOM 0 HE1 HIS A 28 25.732 19.607 -1.350 1.00 54.13 H new ATOM 0 HE2 HIS A 28 23.620 19.392 0.140 1.00 61.21 H new ATOM 389 N LEU A 29 21.781 14.759 -3.250 1.00 75.15 N ATOM 390 CA LEU A 29 20.479 15.262 -3.657 1.00 3.15 C ATOM 391 C LEU A 29 19.849 16.030 -2.493 1.00 52.43 C ATOM 392 O LEU A 29 20.371 16.016 -1.380 1.00 32.04 O ATOM 393 CB LEU A 29 19.606 14.123 -4.187 1.00 11.24 C ATOM 394 CG LEU A 29 18.545 14.515 -5.217 1.00 43.24 C ATOM 395 CD1 LEU A 29 17.211 14.831 -4.538 1.00 43.33 C ATOM 396 CD2 LEU A 29 19.032 15.673 -6.092 1.00 31.33 C ATOM 0 H LEU A 29 21.772 13.814 -2.865 1.00 75.15 H new ATOM 0 HA LEU A 29 20.583 15.964 -4.485 1.00 3.15 H new ATOM 0 HB2 LEU A 29 20.256 13.371 -4.633 1.00 11.24 H new ATOM 0 HB3 LEU A 29 19.106 13.651 -3.341 1.00 11.24 H new ATOM 0 HG LEU A 29 18.377 13.663 -5.875 1.00 43.24 H new ATOM 0 HD11 LEU A 29 16.475 15.107 -5.293 1.00 43.33 H new ATOM 0 HD12 LEU A 29 16.862 13.953 -3.995 1.00 43.33 H new ATOM 0 HD13 LEU A 29 17.344 15.659 -3.842 1.00 43.33 H new ATOM 0 HD21 LEU A 29 18.259 15.932 -6.816 1.00 31.33 H new ATOM 0 HD22 LEU A 29 19.246 16.538 -5.464 1.00 31.33 H new ATOM 0 HD23 LEU A 29 19.938 15.374 -6.620 1.00 31.33 H new ATOM 408 N ASP A 30 18.735 16.683 -2.792 1.00 0.14 N ATOM 409 CA ASP A 30 18.028 17.456 -1.785 1.00 32.35 C ATOM 410 C ASP A 30 16.577 17.656 -2.227 1.00 71.42 C ATOM 411 O ASP A 30 16.248 17.457 -3.396 1.00 34.34 O ATOM 412 CB ASP A 30 18.662 18.836 -1.604 1.00 55.41 C ATOM 413 CG ASP A 30 20.191 18.847 -1.573 1.00 62.21 C ATOM 414 OD1 ASP A 30 20.808 18.911 -0.499 1.00 52.22 O ATOM 415 OD2 ASP A 30 20.760 18.784 -2.729 1.00 43.51 O ATOM 0 H ASP A 30 18.305 16.693 -3.717 1.00 0.14 H new ATOM 0 HA ASP A 30 18.080 16.910 -0.843 1.00 32.35 H new ATOM 0 HB2 ASP A 30 18.326 19.483 -2.414 1.00 55.41 H new ATOM 0 HB3 ASP A 30 18.292 19.270 -0.675 1.00 55.41 H new ATOM 421 N VAL A 31 15.748 18.047 -1.270 1.00 64.32 N ATOM 422 CA VAL A 31 14.340 18.276 -1.547 1.00 24.22 C ATOM 423 C VAL A 31 13.893 19.567 -0.859 1.00 5.22 C ATOM 424 O VAL A 31 14.401 19.915 0.206 1.00 32.14 O ATOM 425 CB VAL A 31 13.519 17.057 -1.122 1.00 74.02 C ATOM 426 CG1 VAL A 31 12.022 17.310 -1.317 1.00 64.44 C ATOM 427 CG2 VAL A 31 13.966 15.804 -1.877 1.00 64.22 C ATOM 0 H VAL A 31 16.024 18.211 -0.302 1.00 64.32 H new ATOM 0 HA VAL A 31 14.177 18.405 -2.617 1.00 24.22 H new ATOM 0 HB VAL A 31 13.695 16.888 -0.060 1.00 74.02 H new ATOM 0 HG11 VAL A 31 11.461 16.428 -1.008 1.00 64.44 H new ATOM 0 HG12 VAL A 31 11.716 18.165 -0.714 1.00 64.44 H new ATOM 0 HG13 VAL A 31 11.822 17.517 -2.368 1.00 64.44 H new ATOM 0 HG21 VAL A 31 13.366 14.952 -1.556 1.00 64.22 H new ATOM 0 HG22 VAL A 31 13.834 15.958 -2.948 1.00 64.22 H new ATOM 0 HG23 VAL A 31 15.017 15.608 -1.666 1.00 64.22 H new ATOM 437 N VAL A 32 12.949 20.243 -1.496 1.00 35.02 N ATOM 438 CA VAL A 32 12.428 21.488 -0.958 1.00 54.45 C ATOM 439 C VAL A 32 10.925 21.570 -1.237 1.00 23.04 C ATOM 440 O VAL A 32 10.485 21.339 -2.362 1.00 22.44 O ATOM 441 CB VAL A 32 13.207 22.673 -1.533 1.00 61.02 C ATOM 442 CG1 VAL A 32 13.170 23.868 -0.579 1.00 41.41 C ATOM 443 CG2 VAL A 32 14.648 22.275 -1.858 1.00 43.02 C ATOM 0 H VAL A 32 12.531 19.952 -2.380 1.00 35.02 H new ATOM 0 HA VAL A 32 12.561 21.522 0.123 1.00 54.45 H new ATOM 0 HB VAL A 32 12.724 22.972 -2.463 1.00 61.02 H new ATOM 0 HG11 VAL A 32 13.731 24.696 -1.012 1.00 41.41 H new ATOM 0 HG12 VAL A 32 12.136 24.174 -0.419 1.00 41.41 H new ATOM 0 HG13 VAL A 32 13.616 23.586 0.375 1.00 41.41 H new ATOM 0 HG21 VAL A 32 15.180 23.135 -2.265 1.00 43.02 H new ATOM 0 HG22 VAL A 32 15.146 21.937 -0.949 1.00 43.02 H new ATOM 0 HG23 VAL A 32 14.646 21.469 -2.592 1.00 43.02 H new ATOM 453 N LYS A 33 10.180 21.900 -0.192 1.00 73.32 N ATOM 454 CA LYS A 33 8.736 22.015 -0.310 1.00 31.32 C ATOM 455 C LYS A 33 8.390 23.306 -1.054 1.00 65.14 C ATOM 456 O LYS A 33 7.262 23.480 -1.512 1.00 11.03 O ATOM 457 CB LYS A 33 8.076 21.903 1.066 1.00 73.42 C ATOM 458 CG LYS A 33 8.506 23.055 1.976 1.00 71.10 C ATOM 459 CD LYS A 33 7.495 24.202 1.922 1.00 4.54 C ATOM 460 CE LYS A 33 6.400 24.018 2.974 1.00 34.30 C ATOM 461 NZ LYS A 33 6.747 24.742 4.217 1.00 30.22 N ATOM 0 H LYS A 33 10.549 22.091 0.740 1.00 73.32 H new ATOM 0 HA LYS A 33 8.335 21.190 -0.899 1.00 31.32 H new ATOM 0 HB2 LYS A 33 6.992 21.908 0.955 1.00 73.42 H new ATOM 0 HB3 LYS A 33 8.345 20.952 1.526 1.00 73.42 H new ATOM 0 HG2 LYS A 33 8.601 22.697 3.001 1.00 71.10 H new ATOM 0 HG3 LYS A 33 9.488 23.416 1.672 1.00 71.10 H new ATOM 0 HD2 LYS A 33 8.007 25.150 2.087 1.00 4.54 H new ATOM 0 HD3 LYS A 33 7.047 24.250 0.930 1.00 4.54 H new ATOM 0 HE2 LYS A 33 5.450 24.385 2.586 1.00 34.30 H new ATOM 0 HE3 LYS A 33 6.269 22.957 3.189 1.00 34.30 H new ATOM 0 HZ1 LYS A 33 5.993 24.606 4.920 1.00 30.22 H new ATOM 0 HZ2 LYS A 33 7.643 24.373 4.595 1.00 30.22 H new ATOM 0 HZ3 LYS A 33 6.849 25.756 4.011 1.00 30.22 H new ATOM 474 N GLY A 34 9.383 24.178 -1.153 1.00 70.01 N ATOM 475 CA GLY A 34 9.198 25.448 -1.834 1.00 42.14 C ATOM 476 C GLY A 34 10.358 26.402 -1.540 1.00 14.12 C ATOM 477 O GLY A 34 11.079 26.807 -2.450 1.00 4.23 O ATOM 0 H GLY A 34 10.318 24.030 -0.773 1.00 70.01 H new ATOM 0 HA2 GLY A 34 9.123 25.281 -2.909 1.00 42.14 H new ATOM 0 HA3 GLY A 34 8.259 25.902 -1.516 1.00 42.14 H new ATOM 481 N ASP A 35 10.500 26.733 -0.265 1.00 1.21 N ATOM 482 CA ASP A 35 11.559 27.632 0.161 1.00 25.11 C ATOM 483 C ASP A 35 12.183 27.102 1.454 1.00 63.44 C ATOM 484 O ASP A 35 12.850 27.842 2.175 1.00 42.25 O ATOM 485 CB ASP A 35 11.014 29.034 0.440 1.00 34.40 C ATOM 486 CG ASP A 35 10.026 29.123 1.605 1.00 23.05 C ATOM 487 OD1 ASP A 35 10.357 29.637 2.685 1.00 70.44 O ATOM 488 OD2 ASP A 35 8.858 28.631 1.369 1.00 74.11 O ATOM 0 H ASP A 35 9.899 26.395 0.487 1.00 1.21 H new ATOM 0 HA ASP A 35 12.297 27.685 -0.639 1.00 25.11 H new ATOM 0 HB2 ASP A 35 11.853 29.700 0.643 1.00 34.40 H new ATOM 0 HB3 ASP A 35 10.524 29.403 -0.461 1.00 34.40 H new ATOM 494 N LYS A 36 11.944 25.823 1.707 1.00 3.43 N ATOM 495 CA LYS A 36 12.474 25.185 2.900 1.00 4.33 C ATOM 496 C LYS A 36 12.952 23.775 2.550 1.00 73.43 C ATOM 497 O LYS A 36 12.191 22.976 2.005 1.00 65.22 O ATOM 498 CB LYS A 36 11.444 25.223 4.031 1.00 60.23 C ATOM 499 CG LYS A 36 11.650 24.056 4.999 1.00 0.32 C ATOM 500 CD LYS A 36 10.711 24.170 6.202 1.00 74.44 C ATOM 501 CE LYS A 36 10.293 22.786 6.703 1.00 32.21 C ATOM 502 NZ LYS A 36 9.216 22.903 7.712 1.00 50.54 N ATOM 0 H LYS A 36 11.391 25.212 1.106 1.00 3.43 H new ATOM 0 HA LYS A 36 13.341 25.732 3.271 1.00 4.33 H new ATOM 0 HB2 LYS A 36 11.526 26.167 4.571 1.00 60.23 H new ATOM 0 HB3 LYS A 36 10.438 25.181 3.613 1.00 60.23 H new ATOM 0 HG2 LYS A 36 11.471 23.114 4.481 1.00 0.32 H new ATOM 0 HG3 LYS A 36 12.685 24.041 5.341 1.00 0.32 H new ATOM 0 HD2 LYS A 36 11.206 24.717 7.004 1.00 74.44 H new ATOM 0 HD3 LYS A 36 9.826 24.743 5.925 1.00 74.44 H new ATOM 0 HE2 LYS A 36 9.950 22.178 5.866 1.00 32.21 H new ATOM 0 HE3 LYS A 36 11.152 22.275 7.137 1.00 32.21 H new ATOM 0 HZ1 LYS A 36 8.944 21.955 8.041 1.00 50.54 H new ATOM 0 HZ2 LYS A 36 9.555 23.466 8.518 1.00 50.54 H new ATOM 0 HZ3 LYS A 36 8.391 23.371 7.286 1.00 50.54 H new ATOM 515 N LEU A 37 14.208 23.511 2.877 1.00 43.24 N ATOM 516 CA LEU A 37 14.796 22.211 2.603 1.00 30.20 C ATOM 517 C LEU A 37 14.076 21.146 3.433 1.00 24.02 C ATOM 518 O LEU A 37 14.085 21.201 4.662 1.00 64.10 O ATOM 519 CB LEU A 37 16.309 22.248 2.829 1.00 52.31 C ATOM 520 CG LEU A 37 17.088 21.020 2.355 1.00 63.01 C ATOM 521 CD1 LEU A 37 16.591 19.752 3.053 1.00 42.45 C ATOM 522 CD2 LEU A 37 17.038 20.893 0.831 1.00 32.10 C ATOM 0 H LEU A 37 14.835 24.176 3.330 1.00 43.24 H new ATOM 0 HA LEU A 37 14.661 21.945 1.555 1.00 30.20 H new ATOM 0 HB2 LEU A 37 16.711 23.126 2.323 1.00 52.31 H new ATOM 0 HB3 LEU A 37 16.494 22.382 3.895 1.00 52.31 H new ATOM 0 HG LEU A 37 18.134 21.151 2.633 1.00 63.01 H new ATOM 0 HD11 LEU A 37 17.162 18.894 2.698 1.00 42.45 H new ATOM 0 HD12 LEU A 37 16.722 19.854 4.130 1.00 42.45 H new ATOM 0 HD13 LEU A 37 15.535 19.603 2.829 1.00 42.45 H new ATOM 0 HD21 LEU A 37 17.600 20.012 0.521 1.00 32.10 H new ATOM 0 HD22 LEU A 37 16.002 20.795 0.508 1.00 32.10 H new ATOM 0 HD23 LEU A 37 17.477 21.781 0.377 1.00 32.10 H new ATOM 534 N ILE A 38 13.470 20.202 2.729 1.00 63.33 N ATOM 535 CA ILE A 38 12.747 19.126 3.385 1.00 23.22 C ATOM 536 C ILE A 38 13.747 18.102 3.926 1.00 33.45 C ATOM 537 O ILE A 38 14.002 18.053 5.129 1.00 55.21 O ATOM 538 CB ILE A 38 11.704 18.527 2.440 1.00 33.21 C ATOM 539 CG1 ILE A 38 10.691 19.586 1.999 1.00 23.21 C ATOM 540 CG2 ILE A 38 11.023 17.312 3.074 1.00 21.01 C ATOM 541 CD1 ILE A 38 9.825 20.040 3.176 1.00 45.31 C ATOM 0 H ILE A 38 13.465 20.160 1.710 1.00 63.33 H new ATOM 0 HA ILE A 38 12.187 19.508 4.239 1.00 23.22 H new ATOM 0 HB ILE A 38 12.216 18.178 1.543 1.00 33.21 H new ATOM 0 HG12 ILE A 38 11.216 20.443 1.577 1.00 23.21 H new ATOM 0 HG13 ILE A 38 10.056 19.181 1.211 1.00 23.21 H new ATOM 0 HG21 ILE A 38 10.286 16.905 2.381 1.00 21.01 H new ATOM 0 HG22 ILE A 38 11.771 16.551 3.297 1.00 21.01 H new ATOM 0 HG23 ILE A 38 10.526 17.613 3.996 1.00 21.01 H new ATOM 0 HD11 ILE A 38 9.114 20.793 2.835 1.00 45.31 H new ATOM 0 HD12 ILE A 38 9.283 19.185 3.580 1.00 45.31 H new ATOM 0 HD13 ILE A 38 10.461 20.466 3.952 1.00 45.31 H new ATOM 553 N GLU A 39 14.286 17.308 3.013 1.00 53.24 N ATOM 554 CA GLU A 39 15.252 16.288 3.383 1.00 34.21 C ATOM 555 C GLU A 39 16.493 16.384 2.493 1.00 34.54 C ATOM 556 O GLU A 39 16.617 17.309 1.693 1.00 51.11 O ATOM 557 CB GLU A 39 14.630 14.892 3.309 1.00 61.21 C ATOM 558 CG GLU A 39 14.513 14.420 1.858 1.00 13.30 C ATOM 559 CD GLU A 39 13.522 13.261 1.737 1.00 61.51 C ATOM 560 OE1 GLU A 39 13.834 12.134 2.150 1.00 74.52 O ATOM 561 OE2 GLU A 39 12.393 13.563 1.192 1.00 73.22 O ATOM 0 H GLU A 39 14.072 17.351 2.017 1.00 53.24 H new ATOM 0 HA GLU A 39 15.556 16.460 4.416 1.00 34.21 H new ATOM 0 HB2 GLU A 39 15.239 14.188 3.876 1.00 61.21 H new ATOM 0 HB3 GLU A 39 13.643 14.905 3.772 1.00 61.21 H new ATOM 0 HG2 GLU A 39 14.189 15.248 1.228 1.00 13.30 H new ATOM 0 HG3 GLU A 39 15.491 14.106 1.494 1.00 13.30 H new ATOM 569 N LYS A 40 17.380 15.414 2.663 1.00 13.25 N ATOM 570 CA LYS A 40 18.607 15.378 1.886 1.00 74.42 C ATOM 571 C LYS A 40 18.923 13.929 1.509 1.00 63.01 C ATOM 572 O LYS A 40 18.557 13.002 2.229 1.00 33.05 O ATOM 573 CB LYS A 40 19.739 16.079 2.638 1.00 21.04 C ATOM 574 CG LYS A 40 20.640 16.854 1.675 1.00 64.42 C ATOM 575 CD LYS A 40 21.854 17.433 2.405 1.00 72.01 C ATOM 576 CE LYS A 40 21.441 18.074 3.731 1.00 13.51 C ATOM 577 NZ LYS A 40 22.620 18.645 4.420 1.00 32.34 N ATOM 0 H LYS A 40 17.273 14.647 3.327 1.00 13.25 H new ATOM 0 HA LYS A 40 18.485 15.931 0.955 1.00 74.42 H new ATOM 0 HB2 LYS A 40 19.321 16.761 3.379 1.00 21.04 H new ATOM 0 HB3 LYS A 40 20.330 15.342 3.181 1.00 21.04 H new ATOM 0 HG2 LYS A 40 20.974 16.195 0.873 1.00 64.42 H new ATOM 0 HG3 LYS A 40 20.073 17.660 1.210 1.00 64.42 H new ATOM 0 HD2 LYS A 40 22.582 16.644 2.590 1.00 72.01 H new ATOM 0 HD3 LYS A 40 22.342 18.176 1.774 1.00 72.01 H new ATOM 0 HE2 LYS A 40 20.704 18.856 3.550 1.00 13.51 H new ATOM 0 HE3 LYS A 40 20.965 17.329 4.369 1.00 13.51 H new ATOM 0 HZ1 LYS A 40 22.322 19.076 5.318 1.00 32.34 H new ATOM 0 HZ2 LYS A 40 23.310 17.891 4.610 1.00 32.34 H new ATOM 0 HZ3 LYS A 40 23.057 19.370 3.816 1.00 32.34 H new ATOM 590 N LEU A 41 19.601 13.779 0.380 1.00 1.54 N ATOM 591 CA LEU A 41 19.971 12.459 -0.101 1.00 4.41 C ATOM 592 C LEU A 41 21.347 12.531 -0.767 1.00 51.50 C ATOM 593 O LEU A 41 21.853 13.619 -1.038 1.00 2.33 O ATOM 594 CB LEU A 41 18.877 11.894 -1.009 1.00 24.22 C ATOM 595 CG LEU A 41 17.453 12.374 -0.722 1.00 22.42 C ATOM 596 CD1 LEU A 41 16.573 12.256 -1.968 1.00 24.21 C ATOM 597 CD2 LEU A 41 16.855 11.631 0.475 1.00 71.25 C ATOM 0 H LEU A 41 19.904 14.550 -0.215 1.00 1.54 H new ATOM 0 HA LEU A 41 20.055 11.760 0.731 1.00 4.41 H new ATOM 0 HB2 LEU A 41 19.123 12.146 -2.041 1.00 24.22 H new ATOM 0 HB3 LEU A 41 18.895 10.807 -0.933 1.00 24.22 H new ATOM 0 HG LEU A 41 17.495 13.430 -0.457 1.00 22.42 H new ATOM 0 HD11 LEU A 41 15.566 12.604 -1.737 1.00 24.21 H new ATOM 0 HD12 LEU A 41 16.992 12.865 -2.769 1.00 24.21 H new ATOM 0 HD13 LEU A 41 16.533 11.215 -2.288 1.00 24.21 H new ATOM 0 HD21 LEU A 41 15.843 11.991 0.658 1.00 71.25 H new ATOM 0 HD22 LEU A 41 16.827 10.562 0.263 1.00 71.25 H new ATOM 0 HD23 LEU A 41 17.469 11.810 1.358 1.00 71.25 H new ATOM 609 N ILE A 42 21.913 11.359 -1.012 1.00 34.31 N ATOM 610 CA ILE A 42 23.220 11.275 -1.641 1.00 54.02 C ATOM 611 C ILE A 42 23.058 10.773 -3.077 1.00 62.04 C ATOM 612 O ILE A 42 22.150 9.996 -3.369 1.00 2.21 O ATOM 613 CB ILE A 42 24.168 10.423 -0.795 1.00 1.50 C ATOM 614 CG1 ILE A 42 24.594 11.170 0.471 1.00 41.44 C ATOM 615 CG2 ILE A 42 25.371 9.959 -1.619 1.00 10.41 C ATOM 616 CD1 ILE A 42 23.375 11.634 1.270 1.00 12.02 C ATOM 0 H ILE A 42 21.490 10.459 -0.786 1.00 34.31 H new ATOM 0 HA ILE A 42 23.680 12.262 -1.697 1.00 54.02 H new ATOM 0 HB ILE A 42 23.632 9.529 -0.476 1.00 1.50 H new ATOM 0 HG12 ILE A 42 25.213 10.521 1.090 1.00 41.44 H new ATOM 0 HG13 ILE A 42 25.206 12.031 0.201 1.00 41.44 H new ATOM 0 HG21 ILE A 42 26.029 9.355 -0.994 1.00 10.41 H new ATOM 0 HG22 ILE A 42 25.025 9.363 -2.464 1.00 10.41 H new ATOM 0 HG23 ILE A 42 25.917 10.828 -1.987 1.00 10.41 H new ATOM 0 HD11 ILE A 42 23.706 12.162 2.164 1.00 12.02 H new ATOM 0 HD12 ILE A 42 22.771 12.302 0.657 1.00 12.02 H new ATOM 0 HD13 ILE A 42 22.779 10.769 1.559 1.00 12.02 H new ATOM 628 N ILE A 43 23.953 11.237 -3.937 1.00 4.32 N ATOM 629 CA ILE A 43 23.922 10.845 -5.336 1.00 13.15 C ATOM 630 C ILE A 43 25.354 10.655 -5.840 1.00 34.10 C ATOM 631 O ILE A 43 25.588 10.599 -7.046 1.00 63.41 O ATOM 632 CB ILE A 43 23.109 11.849 -6.155 1.00 42.43 C ATOM 633 CG1 ILE A 43 23.573 13.282 -5.883 1.00 73.10 C ATOM 634 CG2 ILE A 43 21.610 11.675 -5.906 1.00 13.00 C ATOM 635 CD1 ILE A 43 24.384 13.828 -7.059 1.00 45.42 C ATOM 0 H ILE A 43 24.705 11.881 -3.692 1.00 4.32 H new ATOM 0 HA ILE A 43 23.414 9.888 -5.453 1.00 13.15 H new ATOM 0 HB ILE A 43 23.284 11.649 -7.212 1.00 42.43 H new ATOM 0 HG12 ILE A 43 22.708 13.921 -5.706 1.00 73.10 H new ATOM 0 HG13 ILE A 43 24.178 13.306 -4.977 1.00 73.10 H new ATOM 0 HG21 ILE A 43 21.056 12.401 -6.501 1.00 13.00 H new ATOM 0 HG22 ILE A 43 21.308 10.667 -6.191 1.00 13.00 H new ATOM 0 HG23 ILE A 43 21.396 11.833 -4.849 1.00 13.00 H new ATOM 0 HD11 ILE A 43 24.701 14.847 -6.840 1.00 45.42 H new ATOM 0 HD12 ILE A 43 25.261 13.201 -7.218 1.00 45.42 H new ATOM 0 HD13 ILE A 43 23.768 13.825 -7.958 1.00 45.42 H new ATOM 647 N ASP A 44 26.274 10.561 -4.891 1.00 54.12 N ATOM 648 CA ASP A 44 27.676 10.378 -5.224 1.00 41.43 C ATOM 649 C ASP A 44 28.110 8.966 -4.828 1.00 22.12 C ATOM 650 O ASP A 44 29.183 8.780 -4.256 1.00 63.23 O ATOM 651 CB ASP A 44 28.556 11.374 -4.466 1.00 64.20 C ATOM 652 CG ASP A 44 28.647 11.138 -2.957 1.00 61.00 C ATOM 653 OD1 ASP A 44 29.461 10.330 -2.485 1.00 12.34 O ATOM 654 OD2 ASP A 44 27.826 11.834 -2.246 1.00 41.21 O ATOM 0 H ASP A 44 26.076 10.608 -3.892 1.00 54.12 H new ATOM 0 HA ASP A 44 27.792 10.537 -6.296 1.00 41.43 H new ATOM 0 HB2 ASP A 44 29.562 11.340 -4.885 1.00 64.20 H new ATOM 0 HB3 ASP A 44 28.173 12.380 -4.639 1.00 64.20 H new ATOM 660 N GLU A 45 27.254 8.007 -5.147 1.00 33.31 N ATOM 661 CA GLU A 45 27.535 6.617 -4.831 1.00 62.52 C ATOM 662 C GLU A 45 27.373 5.745 -6.078 1.00 53.55 C ATOM 663 O GLU A 45 28.198 4.872 -6.342 1.00 33.03 O ATOM 664 CB GLU A 45 26.639 6.120 -3.695 1.00 71.01 C ATOM 665 CG GLU A 45 26.573 7.145 -2.561 1.00 33.21 C ATOM 666 CD GLU A 45 27.791 7.027 -1.643 1.00 63.34 C ATOM 667 OE1 GLU A 45 28.484 8.026 -1.400 1.00 54.34 O ATOM 668 OE2 GLU A 45 28.009 5.844 -1.175 1.00 52.43 O ATOM 0 H GLU A 45 26.365 8.165 -5.621 1.00 33.31 H new ATOM 0 HA GLU A 45 28.569 6.545 -4.493 1.00 62.52 H new ATOM 0 HB2 GLU A 45 25.636 5.928 -4.076 1.00 71.01 H new ATOM 0 HB3 GLU A 45 27.021 5.174 -3.313 1.00 71.01 H new ATOM 0 HG2 GLU A 45 26.524 8.151 -2.978 1.00 33.21 H new ATOM 0 HG3 GLU A 45 25.661 6.994 -1.983 1.00 33.21 H new ATOM 676 N LYS A 46 26.303 6.014 -6.813 1.00 64.33 N ATOM 677 CA LYS A 46 26.022 5.265 -8.027 1.00 1.24 C ATOM 678 C LYS A 46 26.099 6.206 -9.231 1.00 12.25 C ATOM 679 O LYS A 46 26.517 7.355 -9.099 1.00 44.30 O ATOM 680 CB LYS A 46 24.686 4.530 -7.905 1.00 31.11 C ATOM 681 CG LYS A 46 23.628 5.420 -7.250 1.00 12.20 C ATOM 682 CD LYS A 46 23.301 6.625 -8.135 1.00 31.22 C ATOM 683 CE LYS A 46 23.838 7.919 -7.520 1.00 20.32 C ATOM 684 NZ LYS A 46 23.031 9.077 -7.964 1.00 3.42 N ATOM 0 H LYS A 46 25.621 6.739 -6.591 1.00 64.33 H new ATOM 0 HA LYS A 46 26.773 4.490 -8.180 1.00 1.24 H new ATOM 0 HB2 LYS A 46 24.345 4.221 -8.893 1.00 31.11 H new ATOM 0 HB3 LYS A 46 24.819 3.623 -7.316 1.00 31.11 H new ATOM 0 HG2 LYS A 46 22.722 4.841 -7.068 1.00 12.20 H new ATOM 0 HG3 LYS A 46 23.987 5.764 -6.280 1.00 12.20 H new ATOM 0 HD2 LYS A 46 23.734 6.482 -9.125 1.00 31.22 H new ATOM 0 HD3 LYS A 46 22.222 6.701 -8.267 1.00 31.22 H new ATOM 0 HE2 LYS A 46 23.816 7.848 -6.433 1.00 20.32 H new ATOM 0 HE3 LYS A 46 24.879 8.061 -7.809 1.00 20.32 H new ATOM 0 HZ1 LYS A 46 23.663 9.856 -8.238 1.00 3.42 H new ATOM 0 HZ2 LYS A 46 22.448 8.801 -8.780 1.00 3.42 H new ATOM 0 HZ3 LYS A 46 22.414 9.389 -7.187 1.00 3.42 H new ATOM 697 N LYS A 47 25.688 5.684 -10.377 1.00 20.34 N ATOM 698 CA LYS A 47 25.705 6.463 -11.603 1.00 70.20 C ATOM 699 C LYS A 47 24.270 6.667 -12.092 1.00 72.35 C ATOM 700 O LYS A 47 24.031 7.432 -13.025 1.00 40.40 O ATOM 701 CB LYS A 47 26.621 5.810 -12.640 1.00 5.22 C ATOM 702 CG LYS A 47 26.099 4.429 -13.041 1.00 24.00 C ATOM 703 CD LYS A 47 26.535 3.364 -12.032 1.00 41.15 C ATOM 704 CE LYS A 47 25.374 2.430 -11.685 1.00 11.40 C ATOM 705 NZ LYS A 47 25.867 1.238 -10.960 1.00 72.22 N ATOM 0 H LYS A 47 25.341 4.731 -10.482 1.00 20.34 H new ATOM 0 HA LYS A 47 26.124 7.453 -11.420 1.00 70.20 H new ATOM 0 HB2 LYS A 47 26.690 6.447 -13.522 1.00 5.22 H new ATOM 0 HB3 LYS A 47 27.628 5.718 -12.234 1.00 5.22 H new ATOM 0 HG2 LYS A 47 25.011 4.452 -13.104 1.00 24.00 H new ATOM 0 HG3 LYS A 47 26.470 4.170 -14.032 1.00 24.00 H new ATOM 0 HD2 LYS A 47 27.362 2.785 -12.443 1.00 41.15 H new ATOM 0 HD3 LYS A 47 26.903 3.845 -11.126 1.00 41.15 H new ATOM 0 HE2 LYS A 47 24.644 2.959 -11.073 1.00 11.40 H new ATOM 0 HE3 LYS A 47 24.862 2.122 -12.597 1.00 11.40 H new ATOM 0 HZ1 LYS A 47 25.066 0.615 -10.732 1.00 72.22 H new ATOM 0 HZ2 LYS A 47 26.546 0.725 -11.557 1.00 72.22 H new ATOM 0 HZ3 LYS A 47 26.335 1.536 -10.080 1.00 72.22 H new ATOM 718 N TYR A 48 23.352 5.968 -11.441 1.00 54.02 N ATOM 719 CA TYR A 48 21.946 6.063 -11.798 1.00 63.34 C ATOM 720 C TYR A 48 21.059 5.504 -10.684 1.00 55.34 C ATOM 721 O TYR A 48 21.251 4.374 -10.240 1.00 24.31 O ATOM 722 CB TYR A 48 21.771 5.204 -13.052 1.00 62.05 C ATOM 723 CG TYR A 48 21.336 3.766 -12.766 1.00 20.52 C ATOM 724 CD1 TYR A 48 20.058 3.508 -12.313 1.00 1.43 C ATOM 725 CD2 TYR A 48 22.222 2.725 -12.960 1.00 74.24 C ATOM 726 CE1 TYR A 48 19.649 2.155 -12.043 1.00 35.51 C ATOM 727 CE2 TYR A 48 21.812 1.371 -12.691 1.00 20.14 C ATOM 728 CZ TYR A 48 20.546 1.153 -12.245 1.00 73.41 C ATOM 729 OH TYR A 48 20.159 -0.126 -11.990 1.00 71.13 O ATOM 0 H TYR A 48 23.554 5.333 -10.668 1.00 54.02 H new ATOM 0 HA TYR A 48 21.660 7.102 -11.960 1.00 63.34 H new ATOM 0 HB2 TYR A 48 21.032 5.674 -13.701 1.00 62.05 H new ATOM 0 HB3 TYR A 48 22.712 5.185 -13.601 1.00 62.05 H new ATOM 0 HD1 TYR A 48 19.365 4.322 -12.161 1.00 1.43 H new ATOM 0 HD2 TYR A 48 23.222 2.926 -13.313 1.00 74.24 H new ATOM 0 HE1 TYR A 48 18.652 1.940 -11.688 1.00 35.51 H new ATOM 0 HE2 TYR A 48 22.494 0.547 -12.840 1.00 20.14 H new ATOM 0 HH TYR A 48 20.902 -0.737 -12.180 1.00 71.13 H new ATOM 739 N TYR A 49 20.105 6.323 -10.265 1.00 73.23 N ATOM 740 CA TYR A 49 19.187 5.925 -9.212 1.00 34.24 C ATOM 741 C TYR A 49 17.742 5.922 -9.715 1.00 52.23 C ATOM 742 O TYR A 49 17.496 6.104 -10.907 1.00 33.53 O ATOM 743 CB TYR A 49 19.328 6.977 -8.110 1.00 20.44 C ATOM 744 CG TYR A 49 20.229 6.546 -6.950 1.00 73.13 C ATOM 745 CD1 TYR A 49 20.188 5.245 -6.491 1.00 52.21 C ATOM 746 CD2 TYR A 49 21.082 7.458 -6.364 1.00 2.33 C ATOM 747 CE1 TYR A 49 21.036 4.840 -5.400 1.00 35.11 C ATOM 748 CE2 TYR A 49 21.930 7.053 -5.273 1.00 11.05 C ATOM 749 CZ TYR A 49 21.865 5.764 -4.844 1.00 73.24 C ATOM 750 OH TYR A 49 22.665 5.381 -3.814 1.00 24.01 O ATOM 0 H TYR A 49 19.948 7.260 -10.636 1.00 73.23 H new ATOM 0 HA TYR A 49 19.418 4.919 -8.862 1.00 34.24 H new ATOM 0 HB2 TYR A 49 19.727 7.893 -8.545 1.00 20.44 H new ATOM 0 HB3 TYR A 49 18.338 7.214 -7.719 1.00 20.44 H new ATOM 0 HD1 TYR A 49 19.520 4.531 -6.950 1.00 52.21 H new ATOM 0 HD2 TYR A 49 21.114 8.476 -6.724 1.00 2.33 H new ATOM 0 HE1 TYR A 49 21.014 3.825 -5.031 1.00 35.11 H new ATOM 0 HE2 TYR A 49 22.603 7.757 -4.806 1.00 11.05 H new ATOM 0 HH TYR A 49 23.204 6.144 -3.517 1.00 24.01 H new ATOM 760 N LEU A 50 16.824 5.715 -8.783 1.00 21.44 N ATOM 761 CA LEU A 50 15.410 5.686 -9.117 1.00 23.01 C ATOM 762 C LEU A 50 14.672 6.733 -8.281 1.00 53.32 C ATOM 763 O LEU A 50 15.252 7.334 -7.378 1.00 70.20 O ATOM 764 CB LEU A 50 14.852 4.270 -8.962 1.00 53.10 C ATOM 765 CG LEU A 50 15.420 3.217 -9.915 1.00 24.31 C ATOM 766 CD1 LEU A 50 16.466 2.349 -9.212 1.00 2.12 C ATOM 767 CD2 LEU A 50 14.302 2.377 -10.535 1.00 33.24 C ATOM 0 H LEU A 50 17.032 5.566 -7.796 1.00 21.44 H new ATOM 0 HA LEU A 50 15.260 5.950 -10.164 1.00 23.01 H new ATOM 0 HB2 LEU A 50 15.032 3.940 -7.939 1.00 53.10 H new ATOM 0 HB3 LEU A 50 13.771 4.310 -9.099 1.00 53.10 H new ATOM 0 HG LEU A 50 15.925 3.733 -10.732 1.00 24.31 H new ATOM 0 HD11 LEU A 50 16.854 1.609 -9.912 1.00 2.12 H new ATOM 0 HD12 LEU A 50 17.283 2.978 -8.859 1.00 2.12 H new ATOM 0 HD13 LEU A 50 16.007 1.841 -8.364 1.00 2.12 H new ATOM 0 HD21 LEU A 50 14.734 1.636 -11.208 1.00 33.24 H new ATOM 0 HD22 LEU A 50 13.747 1.870 -9.745 1.00 33.24 H new ATOM 0 HD23 LEU A 50 13.627 3.025 -11.094 1.00 33.24 H new ATOM 779 N PHE A 51 13.403 6.921 -8.612 1.00 74.53 N ATOM 780 CA PHE A 51 12.579 7.885 -7.904 1.00 34.15 C ATOM 781 C PHE A 51 11.091 7.598 -8.118 1.00 41.03 C ATOM 782 O PHE A 51 10.559 7.839 -9.201 1.00 13.24 O ATOM 783 CB PHE A 51 12.908 9.264 -8.479 1.00 63.53 C ATOM 784 CG PHE A 51 13.926 10.055 -7.655 1.00 53.01 C ATOM 785 CD1 PHE A 51 13.554 10.617 -6.474 1.00 1.22 C ATOM 786 CD2 PHE A 51 15.202 10.196 -8.104 1.00 11.33 C ATOM 787 CE1 PHE A 51 14.498 11.352 -5.709 1.00 24.32 C ATOM 788 CE2 PHE A 51 16.146 10.931 -7.339 1.00 21.23 C ATOM 789 CZ PHE A 51 15.775 11.493 -6.157 1.00 75.05 C ATOM 0 H PHE A 51 12.925 6.421 -9.362 1.00 74.53 H new ATOM 0 HA PHE A 51 12.781 7.832 -6.834 1.00 34.15 H new ATOM 0 HB2 PHE A 51 13.292 9.142 -9.492 1.00 63.53 H new ATOM 0 HB3 PHE A 51 11.988 9.844 -8.555 1.00 63.53 H new ATOM 0 HD1 PHE A 51 12.541 10.504 -6.118 1.00 1.22 H new ATOM 0 HD2 PHE A 51 15.497 9.749 -9.042 1.00 11.33 H new ATOM 0 HE1 PHE A 51 14.202 11.799 -4.771 1.00 24.32 H new ATOM 0 HE2 PHE A 51 17.159 11.044 -7.696 1.00 21.23 H new ATOM 0 HZ PHE A 51 16.494 12.051 -5.575 1.00 75.05 H new ATOM 799 N GLY A 52 10.462 7.087 -7.070 1.00 4.11 N ATOM 800 CA GLY A 52 9.047 6.765 -7.130 1.00 72.22 C ATOM 801 C GLY A 52 8.446 6.669 -5.726 1.00 61.53 C ATOM 802 O GLY A 52 8.130 7.686 -5.111 1.00 71.14 O ATOM 0 H GLY A 52 10.907 6.888 -6.174 1.00 4.11 H new ATOM 0 HA2 GLY A 52 8.521 7.528 -7.703 1.00 72.22 H new ATOM 0 HA3 GLY A 52 8.907 5.820 -7.655 1.00 72.22 H new ATOM 806 N ARG A 53 8.307 5.436 -5.260 1.00 51.21 N ATOM 807 CA ARG A 53 7.750 5.194 -3.940 1.00 72.22 C ATOM 808 C ARG A 53 8.175 3.816 -3.429 1.00 62.23 C ATOM 809 O ARG A 53 8.552 3.670 -2.268 1.00 22.24 O ATOM 810 CB ARG A 53 6.222 5.272 -3.964 1.00 70.25 C ATOM 811 CG ARG A 53 5.724 5.872 -5.281 1.00 5.31 C ATOM 812 CD ARG A 53 4.196 5.873 -5.340 1.00 14.52 C ATOM 813 NE ARG A 53 3.701 4.517 -5.666 1.00 53.52 N ATOM 814 CZ ARG A 53 2.407 4.224 -5.915 1.00 72.44 C ATOM 815 NH1 ARG A 53 1.465 5.190 -5.877 1.00 41.23 N ATOM 816 NH2 ARG A 53 2.076 2.977 -6.197 1.00 23.04 N ATOM 0 H ARG A 53 8.570 4.595 -5.773 1.00 51.21 H new ATOM 0 HA ARG A 53 8.132 5.967 -3.273 1.00 72.22 H new ATOM 0 HB2 ARG A 53 5.801 4.275 -3.832 1.00 70.25 H new ATOM 0 HB3 ARG A 53 5.872 5.878 -3.129 1.00 70.25 H new ATOM 0 HG2 ARG A 53 6.096 6.891 -5.384 1.00 5.31 H new ATOM 0 HG3 ARG A 53 6.123 5.301 -6.119 1.00 5.31 H new ATOM 0 HD2 ARG A 53 3.787 6.198 -4.383 1.00 14.52 H new ATOM 0 HD3 ARG A 53 3.853 6.585 -6.091 1.00 14.52 H new ATOM 0 HE ARG A 53 4.380 3.757 -5.705 1.00 53.52 H new ATOM 0 HH11 ARG A 53 1.728 6.151 -5.659 1.00 41.23 H new ATOM 0 HH12 ARG A 53 0.490 4.959 -6.067 1.00 41.23 H new ATOM 0 HH21 ARG A 53 2.794 2.253 -6.224 1.00 23.04 H new ATOM 0 HH22 ARG A 53 1.103 2.738 -6.388 1.00 23.04 H new ATOM 829 N ASN A 54 8.100 2.840 -4.322 1.00 64.13 N ATOM 830 CA ASN A 54 8.473 1.479 -3.976 1.00 61.24 C ATOM 831 C ASN A 54 9.998 1.356 -3.977 1.00 42.32 C ATOM 832 O ASN A 54 10.630 1.430 -5.030 1.00 10.41 O ATOM 833 CB ASN A 54 7.918 0.480 -4.994 1.00 41.30 C ATOM 834 CG ASN A 54 7.118 -0.623 -4.299 1.00 72.22 C ATOM 835 OD1 ASN A 54 6.470 -0.413 -3.287 1.00 51.51 O ATOM 836 ND2 ASN A 54 7.199 -1.808 -4.897 1.00 74.43 N ATOM 0 H ASN A 54 7.786 2.965 -5.285 1.00 64.13 H new ATOM 0 HA ASN A 54 8.062 1.257 -2.991 1.00 61.24 H new ATOM 0 HB2 ASN A 54 7.281 1.000 -5.710 1.00 41.30 H new ATOM 0 HB3 ASN A 54 8.738 0.038 -5.560 1.00 41.30 H new ATOM 0 HD21 ASN A 54 6.700 -2.609 -4.510 1.00 74.43 H new ATOM 0 HD22 ASN A 54 7.760 -1.915 -5.742 1.00 74.43 H new ATOM 843 N PRO A 55 10.560 1.166 -2.753 1.00 62.04 N ATOM 844 CA PRO A 55 11.999 1.033 -2.603 1.00 62.52 C ATOM 845 C PRO A 55 12.474 -0.344 -3.074 1.00 3.42 C ATOM 846 O PRO A 55 13.659 -0.538 -3.340 1.00 45.50 O ATOM 847 CB PRO A 55 12.265 1.280 -1.127 1.00 44.34 C ATOM 848 CG PRO A 55 10.932 1.083 -0.425 1.00 0.24 C ATOM 849 CD PRO A 55 9.843 1.073 -1.485 1.00 2.10 C ATOM 0 HA PRO A 55 12.554 1.742 -3.218 1.00 62.52 H new ATOM 0 HB2 PRO A 55 13.014 0.587 -0.744 1.00 44.34 H new ATOM 0 HB3 PRO A 55 12.648 2.287 -0.962 1.00 44.34 H new ATOM 0 HG2 PRO A 55 10.930 0.147 0.133 1.00 0.24 H new ATOM 0 HG3 PRO A 55 10.757 1.883 0.294 1.00 0.24 H new ATOM 0 HD2 PRO A 55 9.248 0.161 -1.433 1.00 2.10 H new ATOM 0 HD3 PRO A 55 9.157 1.910 -1.356 1.00 2.10 H new ATOM 857 N ASP A 56 11.525 -1.264 -3.162 1.00 41.31 N ATOM 858 CA ASP A 56 11.832 -2.616 -3.596 1.00 73.10 C ATOM 859 C ASP A 56 12.328 -2.583 -5.043 1.00 1.41 C ATOM 860 O ASP A 56 12.989 -3.515 -5.498 1.00 4.32 O ATOM 861 CB ASP A 56 10.589 -3.507 -3.543 1.00 52.42 C ATOM 862 CG ASP A 56 10.773 -4.909 -4.126 1.00 72.14 C ATOM 863 OD1 ASP A 56 9.853 -5.472 -4.738 1.00 72.20 O ATOM 864 OD2 ASP A 56 11.935 -5.433 -3.929 1.00 71.42 O ATOM 0 H ASP A 56 10.543 -1.100 -2.940 1.00 41.31 H new ATOM 0 HA ASP A 56 12.594 -3.019 -2.929 1.00 73.10 H new ATOM 0 HB2 ASP A 56 10.272 -3.601 -2.504 1.00 52.42 H new ATOM 0 HB3 ASP A 56 9.781 -3.010 -4.080 1.00 52.42 H new ATOM 870 N LEU A 57 11.990 -1.499 -5.726 1.00 10.21 N ATOM 871 CA LEU A 57 12.393 -1.332 -7.112 1.00 1.42 C ATOM 872 C LEU A 57 13.300 -0.105 -7.230 1.00 54.23 C ATOM 873 O LEU A 57 14.332 -0.154 -7.897 1.00 41.40 O ATOM 874 CB LEU A 57 11.166 -1.280 -8.024 1.00 51.12 C ATOM 875 CG LEU A 57 9.882 -1.889 -7.457 1.00 1.23 C ATOM 876 CD1 LEU A 57 8.649 -1.335 -8.173 1.00 42.23 C ATOM 877 CD2 LEU A 57 9.933 -3.417 -7.503 1.00 22.24 C ATOM 0 H LEU A 57 11.442 -0.728 -5.345 1.00 10.21 H new ATOM 0 HA LEU A 57 12.974 -2.192 -7.447 1.00 1.42 H new ATOM 0 HB2 LEU A 57 10.970 -0.238 -8.276 1.00 51.12 H new ATOM 0 HB3 LEU A 57 11.408 -1.793 -8.955 1.00 51.12 H new ATOM 0 HG LEU A 57 9.802 -1.601 -6.409 1.00 1.23 H new ATOM 0 HD11 LEU A 57 7.750 -1.784 -7.751 1.00 42.23 H new ATOM 0 HD12 LEU A 57 8.609 -0.253 -8.044 1.00 42.23 H new ATOM 0 HD13 LEU A 57 8.708 -1.572 -9.235 1.00 42.23 H new ATOM 0 HD21 LEU A 57 9.008 -3.824 -7.094 1.00 22.24 H new ATOM 0 HD22 LEU A 57 10.049 -3.746 -8.536 1.00 22.24 H new ATOM 0 HD23 LEU A 57 10.778 -3.771 -6.912 1.00 22.24 H new ATOM 889 N CYS A 58 12.881 0.967 -6.573 1.00 74.41 N ATOM 890 CA CYS A 58 13.642 2.204 -6.596 1.00 52.14 C ATOM 891 C CYS A 58 14.533 2.244 -5.353 1.00 74.51 C ATOM 892 O CYS A 58 14.352 1.450 -4.430 1.00 41.45 O ATOM 893 CB CYS A 58 12.728 3.428 -6.683 1.00 44.52 C ATOM 894 SG CYS A 58 11.642 3.296 -8.150 1.00 31.03 S ATOM 0 H CYS A 58 12.024 1.004 -6.021 1.00 74.41 H new ATOM 0 HA CYS A 58 14.266 2.234 -7.489 1.00 52.14 H new ATOM 0 HB2 CYS A 58 12.124 3.506 -5.779 1.00 44.52 H new ATOM 0 HB3 CYS A 58 13.328 4.336 -6.745 1.00 44.52 H new ATOM 0 HG CYS A 58 10.399 3.370 -7.778 1.00 31.03 H new ATOM 900 N ASP A 59 15.475 3.175 -5.369 1.00 32.23 N ATOM 901 CA ASP A 59 16.394 3.328 -4.254 1.00 2.00 C ATOM 902 C ASP A 59 15.852 4.388 -3.293 1.00 50.44 C ATOM 903 O ASP A 59 16.058 4.299 -2.084 1.00 75.30 O ATOM 904 CB ASP A 59 17.772 3.787 -4.735 1.00 60.44 C ATOM 905 CG ASP A 59 18.921 2.830 -4.412 1.00 64.35 C ATOM 906 OD1 ASP A 59 19.350 2.714 -3.255 1.00 33.24 O ATOM 907 OD2 ASP A 59 19.388 2.177 -5.423 1.00 35.02 O ATOM 0 H ASP A 59 15.622 3.831 -6.136 1.00 32.23 H new ATOM 0 HA ASP A 59 16.488 2.361 -3.760 1.00 2.00 H new ATOM 0 HB2 ASP A 59 17.733 3.933 -5.814 1.00 60.44 H new ATOM 0 HB3 ASP A 59 17.991 4.757 -4.290 1.00 60.44 H new ATOM 913 N PHE A 60 15.170 5.368 -3.868 1.00 40.21 N ATOM 914 CA PHE A 60 14.597 6.445 -3.078 1.00 73.51 C ATOM 915 C PHE A 60 13.075 6.308 -2.988 1.00 44.52 C ATOM 916 O PHE A 60 12.515 5.287 -3.384 1.00 44.43 O ATOM 917 CB PHE A 60 14.938 7.754 -3.792 1.00 5.04 C ATOM 918 CG PHE A 60 16.336 8.290 -3.473 1.00 71.23 C ATOM 919 CD1 PHE A 60 17.269 7.470 -2.919 1.00 74.42 C ATOM 920 CD2 PHE A 60 16.645 9.586 -3.744 1.00 41.12 C ATOM 921 CE1 PHE A 60 18.565 7.967 -2.624 1.00 24.23 C ATOM 922 CE2 PHE A 60 17.942 10.083 -3.449 1.00 10.43 C ATOM 923 CZ PHE A 60 18.875 9.263 -2.895 1.00 12.24 C ATOM 0 H PHE A 60 15.001 5.439 -4.871 1.00 40.21 H new ATOM 0 HA PHE A 60 14.998 6.418 -2.065 1.00 73.51 H new ATOM 0 HB2 PHE A 60 14.855 7.601 -4.868 1.00 5.04 H new ATOM 0 HB3 PHE A 60 14.200 8.508 -3.519 1.00 5.04 H new ATOM 0 HD1 PHE A 60 17.023 6.441 -2.704 1.00 74.42 H new ATOM 0 HD2 PHE A 60 15.904 10.237 -4.184 1.00 41.12 H new ATOM 0 HE1 PHE A 60 19.306 7.316 -2.184 1.00 24.23 H new ATOM 0 HE2 PHE A 60 18.188 11.112 -3.665 1.00 10.43 H new ATOM 0 HZ PHE A 60 19.861 9.641 -2.670 1.00 12.24 H new ATOM 933 N THR A 61 12.450 7.353 -2.465 1.00 32.40 N ATOM 934 CA THR A 61 11.004 7.363 -2.318 1.00 62.51 C ATOM 935 C THR A 61 10.475 8.798 -2.348 1.00 20.32 C ATOM 936 O THR A 61 10.864 9.624 -1.524 1.00 32.24 O ATOM 937 CB THR A 61 10.655 6.613 -1.031 1.00 73.41 C ATOM 938 OG1 THR A 61 11.704 6.959 -0.131 1.00 51.15 O ATOM 939 CG2 THR A 61 10.781 5.096 -1.185 1.00 24.54 C ATOM 0 H THR A 61 12.918 8.198 -2.138 1.00 32.40 H new ATOM 0 HA THR A 61 10.518 6.854 -3.150 1.00 62.51 H new ATOM 0 HB THR A 61 9.638 6.864 -0.730 1.00 73.41 H new ATOM 0 HG1 THR A 61 11.555 6.516 0.731 1.00 51.15 H new ATOM 0 HG21 THR A 61 10.522 4.612 -0.243 1.00 24.54 H new ATOM 0 HG22 THR A 61 10.105 4.752 -1.968 1.00 24.54 H new ATOM 0 HG23 THR A 61 11.806 4.842 -1.454 1.00 24.54 H new ATOM 947 N ILE A 62 9.596 9.051 -3.306 1.00 61.55 N ATOM 948 CA ILE A 62 9.010 10.372 -3.455 1.00 35.44 C ATOM 949 C ILE A 62 8.066 10.640 -2.281 1.00 13.32 C ATOM 950 O ILE A 62 7.905 11.784 -1.858 1.00 5.13 O ATOM 951 CB ILE A 62 8.343 10.511 -4.824 1.00 55.25 C ATOM 952 CG1 ILE A 62 9.319 10.159 -5.948 1.00 43.33 C ATOM 953 CG2 ILE A 62 7.743 11.907 -5.003 1.00 12.55 C ATOM 954 CD1 ILE A 62 8.673 10.363 -7.320 1.00 61.31 C ATOM 0 H ILE A 62 9.275 8.363 -3.987 1.00 61.55 H new ATOM 0 HA ILE A 62 9.784 11.139 -3.425 1.00 35.44 H new ATOM 0 HB ILE A 62 7.520 9.798 -4.876 1.00 55.25 H new ATOM 0 HG12 ILE A 62 10.212 10.779 -5.867 1.00 43.33 H new ATOM 0 HG13 ILE A 62 9.640 9.123 -5.844 1.00 43.33 H new ATOM 0 HG21 ILE A 62 7.275 11.979 -5.985 1.00 12.55 H new ATOM 0 HG22 ILE A 62 6.994 12.083 -4.231 1.00 12.55 H new ATOM 0 HG23 ILE A 62 8.532 12.655 -4.921 1.00 12.55 H new ATOM 0 HD11 ILE A 62 9.389 10.106 -8.101 1.00 61.31 H new ATOM 0 HD12 ILE A 62 7.795 9.723 -7.407 1.00 61.31 H new ATOM 0 HD13 ILE A 62 8.375 11.406 -7.430 1.00 61.31 H new ATOM 966 N ASP A 63 7.465 9.567 -1.788 1.00 25.11 N ATOM 967 CA ASP A 63 6.542 9.672 -0.671 1.00 52.52 C ATOM 968 C ASP A 63 5.363 10.561 -1.072 1.00 53.05 C ATOM 969 O ASP A 63 5.227 11.680 -0.579 1.00 24.52 O ATOM 970 CB ASP A 63 7.219 10.306 0.546 1.00 52.34 C ATOM 971 CG ASP A 63 6.294 10.570 1.736 1.00 41.44 C ATOM 972 OD1 ASP A 63 6.414 11.596 2.422 1.00 11.02 O ATOM 973 OD2 ASP A 63 5.408 9.658 1.951 1.00 63.42 O ATOM 0 H ASP A 63 7.600 8.620 -2.142 1.00 25.11 H new ATOM 0 HA ASP A 63 6.207 8.667 -0.414 1.00 52.52 H new ATOM 0 HB2 ASP A 63 8.029 9.654 0.873 1.00 52.34 H new ATOM 0 HB3 ASP A 63 7.672 11.249 0.241 1.00 52.34 H new ATOM 979 N HIS A 64 4.539 10.030 -1.964 1.00 63.22 N ATOM 980 CA HIS A 64 3.376 10.761 -2.437 1.00 60.35 C ATOM 981 C HIS A 64 2.242 9.779 -2.741 1.00 50.51 C ATOM 982 O HIS A 64 2.275 8.631 -2.302 1.00 4.14 O ATOM 983 CB HIS A 64 3.737 11.639 -3.637 1.00 63.10 C ATOM 984 CG HIS A 64 3.107 13.011 -3.606 1.00 22.14 C ATOM 985 ND1 HIS A 64 2.069 13.378 -4.443 1.00 54.32 N ATOM 986 CD2 HIS A 64 3.379 14.099 -2.829 1.00 71.10 C ATOM 987 CE1 HIS A 64 1.739 14.633 -4.175 1.00 13.11 C ATOM 988 NE2 HIS A 64 2.552 15.078 -3.175 1.00 3.14 N ATOM 0 H HIS A 64 4.654 9.102 -2.371 1.00 63.22 H new ATOM 0 HA HIS A 64 3.026 11.438 -1.658 1.00 60.35 H new ATOM 0 HB2 HIS A 64 4.821 11.749 -3.681 1.00 63.10 H new ATOM 0 HB3 HIS A 64 3.431 11.131 -4.551 1.00 63.10 H new ATOM 0 HD2 HIS A 64 4.138 14.154 -2.063 1.00 71.10 H new ATOM 0 HE1 HIS A 64 0.962 15.203 -4.663 1.00 13.11 H new ATOM 0 HE2 HIS A 64 2.529 16.010 -2.761 1.00 3.14 H new ATOM 996 N GLN A 65 1.265 10.268 -3.491 1.00 12.04 N ATOM 997 CA GLN A 65 0.122 9.449 -3.858 1.00 65.33 C ATOM 998 C GLN A 65 0.011 9.346 -5.381 1.00 12.22 C ATOM 999 O GLN A 65 -0.349 8.296 -5.911 1.00 43.20 O ATOM 1000 CB GLN A 65 -1.168 10.002 -3.250 1.00 3.10 C ATOM 1001 CG GLN A 65 -1.777 11.082 -4.146 1.00 74.12 C ATOM 1002 CD GLN A 65 -2.960 11.764 -3.456 1.00 34.31 C ATOM 1003 OE1 GLN A 65 -4.116 11.482 -3.726 1.00 14.11 O ATOM 1004 NE2 GLN A 65 -2.608 12.674 -2.552 1.00 72.32 N ATOM 0 H GLN A 65 1.241 11.221 -3.854 1.00 12.04 H new ATOM 0 HA GLN A 65 0.273 8.448 -3.455 1.00 65.33 H new ATOM 0 HB2 GLN A 65 -1.885 9.193 -3.111 1.00 3.10 H new ATOM 0 HB3 GLN A 65 -0.961 10.417 -2.264 1.00 3.10 H new ATOM 0 HG2 GLN A 65 -1.018 11.825 -4.393 1.00 74.12 H new ATOM 0 HG3 GLN A 65 -2.106 10.637 -5.085 1.00 74.12 H new ATOM 0 HE21 GLN A 65 -1.621 12.861 -2.375 1.00 72.32 H new ATOM 0 HE22 GLN A 65 -3.325 13.184 -2.036 1.00 72.32 H new ATOM 1013 N SER A 66 0.326 10.451 -6.041 1.00 33.10 N ATOM 1014 CA SER A 66 0.265 10.499 -7.492 1.00 22.50 C ATOM 1015 C SER A 66 1.479 9.785 -8.090 1.00 44.00 C ATOM 1016 O SER A 66 1.365 9.107 -9.110 1.00 23.33 O ATOM 1017 CB SER A 66 0.198 11.942 -7.993 1.00 50.43 C ATOM 1018 OG SER A 66 -1.145 12.397 -8.132 1.00 14.40 O ATOM 0 H SER A 66 0.624 11.320 -5.598 1.00 33.10 H new ATOM 0 HA SER A 66 -0.643 9.989 -7.813 1.00 22.50 H new ATOM 0 HB2 SER A 66 0.731 12.592 -7.299 1.00 50.43 H new ATOM 0 HB3 SER A 66 0.707 12.016 -8.954 1.00 50.43 H new ATOM 0 HG SER A 66 -1.145 13.323 -8.453 1.00 14.40 H new ATOM 1024 N CYS A 67 2.614 9.963 -7.430 1.00 24.31 N ATOM 1025 CA CYS A 67 3.849 9.344 -7.884 1.00 14.35 C ATOM 1026 C CYS A 67 3.582 7.856 -8.119 1.00 40.32 C ATOM 1027 O CYS A 67 2.528 7.344 -7.746 1.00 54.33 O ATOM 1028 CB CYS A 67 4.992 9.569 -6.892 1.00 13.33 C ATOM 1029 SG CYS A 67 4.525 8.927 -5.243 1.00 63.50 S ATOM 0 H CYS A 67 2.705 10.527 -6.585 1.00 24.31 H new ATOM 0 HA CYS A 67 4.169 9.807 -8.818 1.00 14.35 H new ATOM 0 HB2 CYS A 67 5.894 9.068 -7.244 1.00 13.33 H new ATOM 0 HB3 CYS A 67 5.223 10.632 -6.825 1.00 13.33 H new ATOM 0 HG CYS A 67 5.503 9.121 -4.409 1.00 63.50 H new ATOM 1035 N SER A 68 4.556 7.204 -8.737 1.00 32.02 N ATOM 1036 CA SER A 68 4.440 5.785 -9.027 1.00 34.13 C ATOM 1037 C SER A 68 5.695 5.050 -8.554 1.00 64.31 C ATOM 1038 O SER A 68 6.726 5.672 -8.302 1.00 14.45 O ATOM 1039 CB SER A 68 4.214 5.545 -10.521 1.00 25.43 C ATOM 1040 OG SER A 68 3.017 6.161 -10.986 1.00 72.01 O ATOM 0 H SER A 68 5.429 7.632 -9.045 1.00 32.02 H new ATOM 0 HA SER A 68 3.575 5.395 -8.490 1.00 34.13 H new ATOM 0 HB2 SER A 68 5.063 5.933 -11.083 1.00 25.43 H new ATOM 0 HB3 SER A 68 4.168 4.473 -10.713 1.00 25.43 H new ATOM 0 HG SER A 68 2.910 5.986 -11.944 1.00 72.01 H new ATOM 1046 N ARG A 69 5.568 3.735 -8.449 1.00 3.12 N ATOM 1047 CA ARG A 69 6.680 2.908 -8.011 1.00 42.41 C ATOM 1048 C ARG A 69 7.999 3.460 -8.556 1.00 51.24 C ATOM 1049 O ARG A 69 8.949 3.665 -7.803 1.00 10.54 O ATOM 1050 CB ARG A 69 6.508 1.462 -8.479 1.00 24.23 C ATOM 1051 CG ARG A 69 5.466 0.731 -7.630 1.00 12.32 C ATOM 1052 CD ARG A 69 4.468 -0.020 -8.514 1.00 11.14 C ATOM 1053 NE ARG A 69 3.653 -0.940 -7.688 1.00 45.43 N ATOM 1054 CZ ARG A 69 4.116 -2.091 -7.158 1.00 24.52 C ATOM 1055 NH1 ARG A 69 5.395 -2.475 -7.362 1.00 75.04 N ATOM 1056 NH2 ARG A 69 3.301 -2.837 -6.436 1.00 75.11 N ATOM 0 H ARG A 69 4.712 3.222 -8.660 1.00 3.12 H new ATOM 0 HA ARG A 69 6.698 2.926 -6.921 1.00 42.41 H new ATOM 0 HB2 ARG A 69 6.204 1.449 -9.526 1.00 24.23 H new ATOM 0 HB3 ARG A 69 7.463 0.940 -8.418 1.00 24.23 H new ATOM 0 HG2 ARG A 69 5.964 0.030 -6.961 1.00 12.32 H new ATOM 0 HG3 ARG A 69 4.935 1.447 -7.003 1.00 12.32 H new ATOM 0 HD2 ARG A 69 3.821 0.689 -9.030 1.00 11.14 H new ATOM 0 HD3 ARG A 69 5.000 -0.582 -9.282 1.00 11.14 H new ATOM 0 HE ARG A 69 2.681 -0.688 -7.509 1.00 45.43 H new ATOM 0 HH11 ARG A 69 6.019 -1.893 -7.921 1.00 75.04 H new ATOM 0 HH12 ARG A 69 5.736 -3.347 -6.957 1.00 75.04 H new ATOM 0 HH21 ARG A 69 2.337 -2.540 -6.286 1.00 75.11 H new ATOM 0 HH22 ARG A 69 3.635 -3.710 -6.028 1.00 75.11 H new ATOM 1069 N VAL A 70 8.015 3.685 -9.862 1.00 73.40 N ATOM 1070 CA VAL A 70 9.201 4.209 -10.517 1.00 22.30 C ATOM 1071 C VAL A 70 8.831 5.469 -11.301 1.00 51.22 C ATOM 1072 O VAL A 70 8.885 5.478 -12.530 1.00 11.40 O ATOM 1073 CB VAL A 70 9.838 3.126 -11.391 1.00 53.21 C ATOM 1074 CG1 VAL A 70 11.315 3.428 -11.648 1.00 64.31 C ATOM 1075 CG2 VAL A 70 9.661 1.742 -10.764 1.00 63.45 C ATOM 0 H VAL A 70 7.225 3.514 -10.484 1.00 73.40 H new ATOM 0 HA VAL A 70 9.950 4.494 -9.779 1.00 22.30 H new ATOM 0 HB VAL A 70 9.325 3.126 -12.353 1.00 53.21 H new ATOM 0 HG11 VAL A 70 11.744 2.643 -12.271 1.00 64.31 H new ATOM 0 HG12 VAL A 70 11.407 4.387 -12.158 1.00 64.31 H new ATOM 0 HG13 VAL A 70 11.849 3.469 -10.698 1.00 64.31 H new ATOM 0 HG21 VAL A 70 10.122 0.991 -11.405 1.00 63.45 H new ATOM 0 HG22 VAL A 70 10.136 1.724 -9.783 1.00 63.45 H new ATOM 0 HG23 VAL A 70 8.598 1.524 -10.657 1.00 63.45 H new ATOM 1085 N HIS A 71 8.463 6.503 -10.558 1.00 60.24 N ATOM 1086 CA HIS A 71 8.084 7.766 -11.169 1.00 32.32 C ATOM 1087 C HIS A 71 9.138 8.174 -12.200 1.00 0.54 C ATOM 1088 O HIS A 71 8.801 8.584 -13.309 1.00 55.41 O ATOM 1089 CB HIS A 71 7.852 8.837 -10.101 1.00 73.13 C ATOM 1090 CG HIS A 71 7.495 10.194 -10.660 1.00 73.42 C ATOM 1091 ND1 HIS A 71 6.419 10.934 -10.201 1.00 42.14 N ATOM 1092 CD2 HIS A 71 8.082 10.935 -11.643 1.00 12.42 C ATOM 1093 CE1 HIS A 71 6.370 12.068 -10.885 1.00 22.02 C ATOM 1094 NE2 HIS A 71 7.401 12.067 -11.778 1.00 20.30 N ATOM 0 H HIS A 71 8.419 6.492 -9.539 1.00 60.24 H new ATOM 0 HA HIS A 71 7.137 7.650 -11.696 1.00 32.32 H new ATOM 0 HB2 HIS A 71 7.053 8.507 -9.438 1.00 73.13 H new ATOM 0 HB3 HIS A 71 8.752 8.931 -9.494 1.00 73.13 H new ATOM 0 HD2 HIS A 71 8.953 10.650 -12.215 1.00 12.42 H new ATOM 0 HE1 HIS A 71 5.641 12.855 -10.758 1.00 22.02 H new ATOM 0 HE2 HIS A 71 7.614 12.813 -12.440 1.00 20.30 H new ATOM 1103 N ALA A 72 10.394 8.049 -11.796 1.00 73.51 N ATOM 1104 CA ALA A 72 11.500 8.400 -12.671 1.00 34.32 C ATOM 1105 C ALA A 72 12.792 7.794 -12.120 1.00 2.44 C ATOM 1106 O ALA A 72 12.759 6.997 -11.183 1.00 53.43 O ATOM 1107 CB ALA A 72 11.580 9.922 -12.807 1.00 30.55 C ATOM 0 H ALA A 72 10.670 7.710 -10.875 1.00 73.51 H new ATOM 0 HA ALA A 72 11.345 7.992 -13.670 1.00 34.32 H new ATOM 0 HB1 ALA A 72 12.409 10.186 -13.463 1.00 30.55 H new ATOM 0 HB2 ALA A 72 10.649 10.299 -13.230 1.00 30.55 H new ATOM 0 HB3 ALA A 72 11.739 10.367 -11.825 1.00 30.55 H new ATOM 1113 N ALA A 73 13.901 8.196 -12.724 1.00 13.11 N ATOM 1114 CA ALA A 73 15.202 7.703 -12.305 1.00 50.22 C ATOM 1115 C ALA A 73 16.273 8.736 -12.663 1.00 72.43 C ATOM 1116 O ALA A 73 16.205 9.365 -13.718 1.00 1.43 O ATOM 1117 CB ALA A 73 15.465 6.342 -12.952 1.00 52.05 C ATOM 0 H ALA A 73 13.925 8.857 -13.500 1.00 13.11 H new ATOM 0 HA ALA A 73 15.229 7.561 -11.225 1.00 50.22 H new ATOM 0 HB1 ALA A 73 16.441 5.972 -12.638 1.00 52.05 H new ATOM 0 HB2 ALA A 73 14.693 5.637 -12.643 1.00 52.05 H new ATOM 0 HB3 ALA A 73 15.449 6.446 -14.037 1.00 52.05 H new ATOM 1123 N LEU A 74 17.237 8.877 -11.765 1.00 55.32 N ATOM 1124 CA LEU A 74 18.320 9.823 -11.973 1.00 63.51 C ATOM 1125 C LEU A 74 19.503 9.101 -12.623 1.00 12.12 C ATOM 1126 O LEU A 74 19.716 7.913 -12.386 1.00 73.12 O ATOM 1127 CB LEU A 74 18.675 10.528 -10.663 1.00 20.25 C ATOM 1128 CG LEU A 74 19.823 11.537 -10.733 1.00 61.32 C ATOM 1129 CD1 LEU A 74 19.742 12.541 -9.581 1.00 64.45 C ATOM 1130 CD2 LEU A 74 21.177 10.825 -10.779 1.00 74.22 C ATOM 0 H LEU A 74 17.291 8.352 -10.892 1.00 55.32 H new ATOM 0 HA LEU A 74 18.011 10.612 -12.659 1.00 63.51 H new ATOM 0 HB2 LEU A 74 17.786 11.044 -10.299 1.00 20.25 H new ATOM 0 HB3 LEU A 74 18.929 9.769 -9.923 1.00 20.25 H new ATOM 0 HG LEU A 74 19.725 12.102 -11.660 1.00 61.32 H new ATOM 0 HD11 LEU A 74 20.569 13.247 -9.655 1.00 64.45 H new ATOM 0 HD12 LEU A 74 18.798 13.082 -9.636 1.00 64.45 H new ATOM 0 HD13 LEU A 74 19.801 12.010 -8.631 1.00 64.45 H new ATOM 0 HD21 LEU A 74 21.976 11.565 -10.828 1.00 74.22 H new ATOM 0 HD22 LEU A 74 21.300 10.218 -9.882 1.00 74.22 H new ATOM 0 HD23 LEU A 74 21.221 10.184 -11.659 1.00 74.22 H new ATOM 1142 N VAL A 75 20.241 9.850 -13.429 1.00 61.30 N ATOM 1143 CA VAL A 75 21.397 9.296 -14.115 1.00 14.44 C ATOM 1144 C VAL A 75 22.500 10.355 -14.181 1.00 74.42 C ATOM 1145 O VAL A 75 22.310 11.418 -14.770 1.00 61.30 O ATOM 1146 CB VAL A 75 20.986 8.773 -15.493 1.00 24.25 C ATOM 1147 CG1 VAL A 75 22.192 8.207 -16.245 1.00 43.23 C ATOM 1148 CG2 VAL A 75 19.875 7.728 -15.373 1.00 51.25 C ATOM 0 H VAL A 75 20.061 10.835 -13.623 1.00 61.30 H new ATOM 0 HA VAL A 75 21.797 8.444 -13.565 1.00 14.44 H new ATOM 0 HB VAL A 75 20.596 9.612 -16.068 1.00 24.25 H new ATOM 0 HG11 VAL A 75 21.873 7.842 -17.221 1.00 43.23 H new ATOM 0 HG12 VAL A 75 22.939 8.990 -16.376 1.00 43.23 H new ATOM 0 HG13 VAL A 75 22.624 7.385 -15.674 1.00 43.23 H new ATOM 0 HG21 VAL A 75 19.601 7.372 -16.366 1.00 51.25 H new ATOM 0 HG22 VAL A 75 20.227 6.890 -14.772 1.00 51.25 H new ATOM 0 HG23 VAL A 75 19.004 8.176 -14.895 1.00 51.25 H new ATOM 1158 N TYR A 76 23.628 10.026 -13.569 1.00 50.52 N ATOM 1159 CA TYR A 76 24.762 10.935 -13.552 1.00 15.44 C ATOM 1160 C TYR A 76 25.603 10.787 -14.821 1.00 1.03 C ATOM 1161 O TYR A 76 26.281 9.777 -15.006 1.00 12.41 O ATOM 1162 CB TYR A 76 25.608 10.531 -12.343 1.00 34.03 C ATOM 1163 CG TYR A 76 26.748 11.501 -12.029 1.00 1.22 C ATOM 1164 CD1 TYR A 76 26.518 12.601 -11.228 1.00 33.04 C ATOM 1165 CD2 TYR A 76 28.007 11.277 -12.547 1.00 25.31 C ATOM 1166 CE1 TYR A 76 27.591 13.514 -10.932 1.00 41.22 C ATOM 1167 CE2 TYR A 76 29.081 12.190 -12.252 1.00 30.15 C ATOM 1168 CZ TYR A 76 28.820 13.264 -11.459 1.00 32.43 C ATOM 1169 OH TYR A 76 29.834 14.126 -11.180 1.00 14.13 O ATOM 0 H TYR A 76 23.781 9.143 -13.081 1.00 50.52 H new ATOM 0 HA TYR A 76 24.424 11.970 -13.498 1.00 15.44 H new ATOM 0 HB2 TYR A 76 24.961 10.452 -11.470 1.00 34.03 H new ATOM 0 HB3 TYR A 76 26.026 9.540 -12.520 1.00 34.03 H new ATOM 0 HD1 TYR A 76 25.532 12.777 -10.823 1.00 33.04 H new ATOM 0 HD2 TYR A 76 28.187 10.416 -13.174 1.00 25.31 H new ATOM 0 HE1 TYR A 76 27.424 14.378 -10.306 1.00 41.22 H new ATOM 0 HE2 TYR A 76 30.071 12.026 -12.651 1.00 30.15 H new ATOM 0 HH TYR A 76 29.470 15.026 -11.045 1.00 14.13 H new ATOM 1179 N HIS A 77 25.532 11.808 -15.662 1.00 44.00 N ATOM 1180 CA HIS A 77 26.279 11.804 -16.908 1.00 63.14 C ATOM 1181 C HIS A 77 27.776 11.700 -16.609 1.00 42.12 C ATOM 1182 O HIS A 77 28.224 12.073 -15.526 1.00 32.31 O ATOM 1183 CB HIS A 77 25.928 13.028 -17.756 1.00 73.25 C ATOM 1184 CG HIS A 77 25.806 12.737 -19.233 1.00 55.13 C ATOM 1185 ND1 HIS A 77 26.901 12.482 -20.040 1.00 54.13 N ATOM 1186 CD2 HIS A 77 24.708 12.663 -20.039 1.00 74.32 C ATOM 1187 CE1 HIS A 77 26.470 12.266 -21.274 1.00 55.43 C ATOM 1188 NE2 HIS A 77 25.110 12.379 -21.272 1.00 2.33 N ATOM 0 H HIS A 77 24.969 12.644 -15.505 1.00 44.00 H new ATOM 0 HA HIS A 77 26.000 10.932 -17.500 1.00 63.14 H new ATOM 0 HB2 HIS A 77 24.987 13.446 -17.400 1.00 73.25 H new ATOM 0 HB3 HIS A 77 26.692 13.791 -17.608 1.00 73.25 H new ATOM 0 HD2 HIS A 77 23.685 12.811 -19.727 1.00 74.32 H new ATOM 0 HE1 HIS A 77 27.087 12.040 -22.131 1.00 55.43 H new ATOM 0 HE2 HIS A 77 24.503 12.264 -22.084 1.00 2.33 H new ATOM 1196 N LYS A 78 28.509 11.192 -17.589 1.00 71.31 N ATOM 1197 CA LYS A 78 29.946 11.034 -17.445 1.00 21.04 C ATOM 1198 C LYS A 78 30.658 11.938 -18.453 1.00 11.22 C ATOM 1199 O LYS A 78 31.640 12.598 -18.115 1.00 54.03 O ATOM 1200 CB LYS A 78 30.337 9.559 -17.558 1.00 3.23 C ATOM 1201 CG LYS A 78 30.365 9.110 -19.020 1.00 63.01 C ATOM 1202 CD LYS A 78 30.348 7.584 -19.125 1.00 72.33 C ATOM 1203 CE LYS A 78 31.716 6.994 -18.775 1.00 54.34 C ATOM 1204 NZ LYS A 78 31.588 5.562 -18.425 1.00 65.00 N ATOM 0 H LYS A 78 28.134 10.884 -18.486 1.00 71.31 H new ATOM 0 HA LYS A 78 30.266 11.349 -16.452 1.00 21.04 H new ATOM 0 HB2 LYS A 78 31.317 9.403 -17.107 1.00 3.23 H new ATOM 0 HB3 LYS A 78 29.628 8.947 -16.999 1.00 3.23 H new ATOM 0 HG2 LYS A 78 29.506 9.524 -19.548 1.00 63.01 H new ATOM 0 HG3 LYS A 78 31.258 9.502 -19.507 1.00 63.01 H new ATOM 0 HD2 LYS A 78 29.591 7.178 -18.454 1.00 72.33 H new ATOM 0 HD3 LYS A 78 30.069 7.289 -20.136 1.00 72.33 H new ATOM 0 HE2 LYS A 78 32.395 7.109 -19.620 1.00 54.34 H new ATOM 0 HE3 LYS A 78 32.152 7.541 -17.939 1.00 54.34 H new ATOM 0 HZ1 LYS A 78 32.358 5.292 -17.780 1.00 65.00 H new ATOM 0 HZ2 LYS A 78 30.673 5.399 -17.959 1.00 65.00 H new ATOM 0 HZ3 LYS A 78 31.643 4.987 -19.290 1.00 65.00 H new ATOM 1217 N HIS A 79 30.135 11.939 -19.670 1.00 43.53 N ATOM 1218 CA HIS A 79 30.709 12.752 -20.730 1.00 34.21 C ATOM 1219 C HIS A 79 30.380 14.225 -20.482 1.00 1.43 C ATOM 1220 O HIS A 79 30.958 15.109 -21.113 1.00 23.14 O ATOM 1221 CB HIS A 79 30.241 12.263 -22.102 1.00 42.13 C ATOM 1222 CG HIS A 79 30.140 10.761 -22.217 1.00 74.24 C ATOM 1223 ND1 HIS A 79 31.208 9.963 -22.587 1.00 45.33 N ATOM 1224 CD2 HIS A 79 29.086 9.920 -22.007 1.00 5.03 C ATOM 1225 CE1 HIS A 79 30.805 8.701 -22.597 1.00 2.45 C ATOM 1226 NE2 HIS A 79 29.490 8.677 -22.237 1.00 33.40 N ATOM 0 H HIS A 79 29.321 11.390 -19.946 1.00 43.53 H new ATOM 0 HA HIS A 79 31.794 12.652 -20.723 1.00 34.21 H new ATOM 0 HB2 HIS A 79 29.266 12.700 -22.319 1.00 42.13 H new ATOM 0 HB3 HIS A 79 30.931 12.630 -22.862 1.00 42.13 H new ATOM 0 HD1 HIS A 79 32.147 10.291 -22.814 1.00 45.33 H new ATOM 0 HD2 HIS A 79 28.092 10.216 -21.705 1.00 5.03 H new ATOM 0 HE1 HIS A 79 31.411 7.843 -22.846 1.00 2.45 H new ATOM 1234 N LEU A 80 29.453 14.445 -19.561 1.00 71.21 N ATOM 1235 CA LEU A 80 29.040 15.796 -19.222 1.00 4.04 C ATOM 1236 C LEU A 80 29.464 16.108 -17.785 1.00 11.02 C ATOM 1237 O LEU A 80 29.737 17.260 -17.451 1.00 32.14 O ATOM 1238 CB LEU A 80 27.542 15.978 -19.475 1.00 5.55 C ATOM 1239 CG LEU A 80 27.060 15.673 -20.894 1.00 51.20 C ATOM 1240 CD1 LEU A 80 25.562 15.951 -21.036 1.00 2.04 C ATOM 1241 CD2 LEU A 80 27.885 16.439 -21.930 1.00 63.42 C ATOM 0 H LEU A 80 28.976 13.710 -19.039 1.00 71.21 H new ATOM 0 HA LEU A 80 29.538 16.520 -19.866 1.00 4.04 H new ATOM 0 HB2 LEU A 80 26.996 15.338 -18.782 1.00 5.55 H new ATOM 0 HB3 LEU A 80 27.276 17.007 -19.235 1.00 5.55 H new ATOM 0 HG LEU A 80 27.210 14.610 -21.084 1.00 51.20 H new ATOM 0 HD11 LEU A 80 25.245 15.726 -22.054 1.00 2.04 H new ATOM 0 HD12 LEU A 80 25.008 15.325 -20.337 1.00 2.04 H new ATOM 0 HD13 LEU A 80 25.364 17.001 -20.818 1.00 2.04 H new ATOM 0 HD21 LEU A 80 27.522 16.204 -22.930 1.00 63.42 H new ATOM 0 HD22 LEU A 80 27.790 17.510 -21.751 1.00 63.42 H new ATOM 0 HD23 LEU A 80 28.933 16.149 -21.847 1.00 63.42 H new ATOM 1253 N LYS A 81 29.505 15.061 -16.974 1.00 5.45 N ATOM 1254 CA LYS A 81 29.891 15.209 -15.580 1.00 41.24 C ATOM 1255 C LYS A 81 28.760 15.897 -14.813 1.00 4.21 C ATOM 1256 O LYS A 81 29.012 16.655 -13.877 1.00 72.12 O ATOM 1257 CB LYS A 81 31.236 15.930 -15.470 1.00 63.24 C ATOM 1258 CG LYS A 81 32.259 15.333 -16.440 1.00 12.31 C ATOM 1259 CD LYS A 81 32.798 14.000 -15.917 1.00 13.44 C ATOM 1260 CE LYS A 81 33.690 14.213 -14.692 1.00 63.32 C ATOM 1261 NZ LYS A 81 34.399 12.961 -14.344 1.00 61.12 N ATOM 0 H LYS A 81 29.278 14.107 -17.255 1.00 5.45 H new ATOM 0 HA LYS A 81 30.041 14.232 -15.120 1.00 41.24 H new ATOM 0 HB2 LYS A 81 31.103 16.991 -15.684 1.00 63.24 H new ATOM 0 HB3 LYS A 81 31.611 15.855 -14.449 1.00 63.24 H new ATOM 0 HG2 LYS A 81 31.797 15.185 -17.416 1.00 12.31 H new ATOM 0 HG3 LYS A 81 33.083 16.032 -16.581 1.00 12.31 H new ATOM 0 HD2 LYS A 81 31.967 13.344 -15.657 1.00 13.44 H new ATOM 0 HD3 LYS A 81 33.365 13.500 -16.702 1.00 13.44 H new ATOM 0 HE2 LYS A 81 34.413 15.003 -14.894 1.00 63.32 H new ATOM 0 HE3 LYS A 81 33.085 14.543 -13.847 1.00 63.32 H new ATOM 0 HZ1 LYS A 81 35.000 13.122 -13.511 1.00 61.12 H new ATOM 0 HZ2 LYS A 81 33.705 12.217 -14.131 1.00 61.12 H new ATOM 0 HZ3 LYS A 81 34.991 12.663 -15.145 1.00 61.12 H new ATOM 1274 N ARG A 82 27.539 15.609 -15.238 1.00 30.55 N ATOM 1275 CA ARG A 82 26.369 16.190 -14.602 1.00 32.11 C ATOM 1276 C ARG A 82 25.359 15.097 -14.247 1.00 70.55 C ATOM 1277 O ARG A 82 25.682 13.910 -14.292 1.00 12.41 O ATOM 1278 CB ARG A 82 25.698 17.217 -15.517 1.00 23.24 C ATOM 1279 CG ARG A 82 26.557 17.494 -16.752 1.00 62.01 C ATOM 1280 CD ARG A 82 25.792 18.338 -17.774 1.00 21.23 C ATOM 1281 NE ARG A 82 26.668 19.405 -18.306 1.00 41.13 N ATOM 1282 CZ ARG A 82 26.372 20.158 -19.387 1.00 65.12 C ATOM 1283 NH1 ARG A 82 25.218 19.966 -20.061 1.00 4.11 N ATOM 1284 NH2 ARG A 82 27.229 21.084 -19.776 1.00 12.34 N ATOM 0 H ARG A 82 27.334 14.981 -16.015 1.00 30.55 H new ATOM 0 HA ARG A 82 26.701 16.691 -13.693 1.00 32.11 H new ATOM 0 HB2 ARG A 82 24.719 16.850 -15.825 1.00 23.24 H new ATOM 0 HB3 ARG A 82 25.533 18.145 -14.969 1.00 23.24 H new ATOM 0 HG2 ARG A 82 27.469 18.013 -16.456 1.00 62.01 H new ATOM 0 HG3 ARG A 82 26.860 16.551 -17.207 1.00 62.01 H new ATOM 0 HD2 ARG A 82 25.439 17.706 -18.589 1.00 21.23 H new ATOM 0 HD3 ARG A 82 24.911 18.778 -17.308 1.00 21.23 H new ATOM 0 HE ARG A 82 27.550 19.583 -17.826 1.00 41.13 H new ATOM 0 HH11 ARG A 82 24.562 19.248 -19.755 1.00 4.11 H new ATOM 0 HH12 ARG A 82 25.002 20.539 -20.877 1.00 4.11 H new ATOM 0 HH21 ARG A 82 28.099 21.222 -19.262 1.00 12.34 H new ATOM 0 HH22 ARG A 82 27.021 21.662 -20.591 1.00 12.34 H new ATOM 1297 N VAL A 83 24.157 15.535 -13.904 1.00 32.34 N ATOM 1298 CA VAL A 83 23.098 14.608 -13.542 1.00 33.03 C ATOM 1299 C VAL A 83 21.936 14.758 -14.527 1.00 24.25 C ATOM 1300 O VAL A 83 21.857 15.748 -15.252 1.00 71.10 O ATOM 1301 CB VAL A 83 22.681 14.832 -12.087 1.00 15.31 C ATOM 1302 CG1 VAL A 83 21.544 13.888 -11.691 1.00 21.24 C ATOM 1303 CG2 VAL A 83 23.876 14.678 -11.144 1.00 14.51 C ATOM 0 H VAL A 83 23.893 16.520 -13.869 1.00 32.34 H new ATOM 0 HA VAL A 83 23.451 13.579 -13.610 1.00 33.03 H new ATOM 0 HB VAL A 83 22.314 15.854 -11.997 1.00 15.31 H new ATOM 0 HG11 VAL A 83 21.267 14.068 -10.652 1.00 21.24 H new ATOM 0 HG12 VAL A 83 20.682 14.068 -12.333 1.00 21.24 H new ATOM 0 HG13 VAL A 83 21.872 12.855 -11.805 1.00 21.24 H new ATOM 0 HG21 VAL A 83 23.552 14.842 -10.116 1.00 14.51 H new ATOM 0 HG22 VAL A 83 24.287 13.673 -11.239 1.00 14.51 H new ATOM 0 HG23 VAL A 83 24.641 15.409 -11.404 1.00 14.51 H new ATOM 1313 N PHE A 84 21.065 13.760 -14.520 1.00 53.12 N ATOM 1314 CA PHE A 84 19.911 13.768 -15.404 1.00 3.40 C ATOM 1315 C PHE A 84 18.701 13.117 -14.732 1.00 70.20 C ATOM 1316 O PHE A 84 18.854 12.310 -13.816 1.00 45.12 O ATOM 1317 CB PHE A 84 20.291 12.955 -16.643 1.00 23.02 C ATOM 1318 CG PHE A 84 20.983 13.772 -17.736 1.00 11.32 C ATOM 1319 CD1 PHE A 84 22.320 14.010 -17.664 1.00 61.41 C ATOM 1320 CD2 PHE A 84 20.260 14.262 -18.779 1.00 64.50 C ATOM 1321 CE1 PHE A 84 22.962 14.768 -18.678 1.00 51.24 C ATOM 1322 CE2 PHE A 84 20.902 15.020 -19.793 1.00 43.24 C ATOM 1323 CZ PHE A 84 22.240 15.257 -19.722 1.00 15.54 C ATOM 0 H PHE A 84 21.135 12.941 -13.917 1.00 53.12 H new ATOM 0 HA PHE A 84 19.643 14.794 -15.657 1.00 3.40 H new ATOM 0 HB2 PHE A 84 20.949 12.140 -16.342 1.00 23.02 H new ATOM 0 HB3 PHE A 84 19.391 12.502 -17.058 1.00 23.02 H new ATOM 0 HD1 PHE A 84 22.893 13.622 -16.835 1.00 61.41 H new ATOM 0 HD2 PHE A 84 19.198 14.074 -18.836 1.00 64.50 H new ATOM 0 HE1 PHE A 84 24.024 14.957 -18.621 1.00 51.24 H new ATOM 0 HE2 PHE A 84 20.328 15.409 -20.621 1.00 43.24 H new ATOM 0 HZ PHE A 84 22.728 15.833 -20.494 1.00 15.54 H new ATOM 1333 N LEU A 85 17.525 13.491 -15.213 1.00 74.02 N ATOM 1334 CA LEU A 85 16.289 12.953 -14.671 1.00 13.05 C ATOM 1335 C LEU A 85 15.436 12.395 -15.812 1.00 11.12 C ATOM 1336 O LEU A 85 14.883 13.154 -16.607 1.00 25.31 O ATOM 1337 CB LEU A 85 15.571 14.007 -13.825 1.00 40.33 C ATOM 1338 CG LEU A 85 14.230 13.585 -13.223 1.00 34.42 C ATOM 1339 CD1 LEU A 85 14.152 12.064 -13.071 1.00 13.22 C ATOM 1340 CD2 LEU A 85 13.971 14.307 -11.899 1.00 61.10 C ATOM 0 H LEU A 85 17.402 14.161 -15.973 1.00 74.02 H new ATOM 0 HA LEU A 85 16.499 12.124 -13.995 1.00 13.05 H new ATOM 0 HB2 LEU A 85 16.234 14.305 -13.012 1.00 40.33 H new ATOM 0 HB3 LEU A 85 15.407 14.890 -14.443 1.00 40.33 H new ATOM 0 HG LEU A 85 13.438 13.881 -13.911 1.00 34.42 H new ATOM 0 HD11 LEU A 85 13.189 11.790 -12.641 1.00 13.22 H new ATOM 0 HD12 LEU A 85 14.259 11.595 -14.049 1.00 13.22 H new ATOM 0 HD13 LEU A 85 14.953 11.722 -12.415 1.00 13.22 H new ATOM 0 HD21 LEU A 85 13.011 13.989 -11.493 1.00 61.10 H new ATOM 0 HD22 LEU A 85 14.763 14.064 -11.191 1.00 61.10 H new ATOM 0 HD23 LEU A 85 13.954 15.384 -12.069 1.00 61.10 H new ATOM 1352 N ILE A 86 15.356 11.073 -15.856 1.00 54.31 N ATOM 1353 CA ILE A 86 14.580 10.405 -16.887 1.00 35.12 C ATOM 1354 C ILE A 86 13.160 10.158 -16.371 1.00 44.00 C ATOM 1355 O ILE A 86 12.946 9.291 -15.525 1.00 54.22 O ATOM 1356 CB ILE A 86 15.293 9.135 -17.356 1.00 11.30 C ATOM 1357 CG1 ILE A 86 16.796 9.217 -17.081 1.00 12.34 C ATOM 1358 CG2 ILE A 86 14.995 8.852 -18.830 1.00 32.34 C ATOM 1359 CD1 ILE A 86 17.571 8.253 -17.981 1.00 5.34 C ATOM 0 H ILE A 86 15.816 10.447 -15.195 1.00 54.31 H new ATOM 0 HA ILE A 86 14.494 11.039 -17.769 1.00 35.12 H new ATOM 0 HB ILE A 86 14.906 8.294 -16.781 1.00 11.30 H new ATOM 0 HG12 ILE A 86 17.145 10.236 -17.248 1.00 12.34 H new ATOM 0 HG13 ILE A 86 16.991 8.980 -16.035 1.00 12.34 H new ATOM 0 HG21 ILE A 86 15.514 7.944 -19.138 1.00 32.34 H new ATOM 0 HG22 ILE A 86 13.921 8.720 -18.965 1.00 32.34 H new ATOM 0 HG23 ILE A 86 15.337 9.690 -19.438 1.00 32.34 H new ATOM 0 HD11 ILE A 86 18.637 8.331 -17.765 1.00 5.34 H new ATOM 0 HD12 ILE A 86 17.237 7.232 -17.794 1.00 5.34 H new ATOM 0 HD13 ILE A 86 17.393 8.508 -19.026 1.00 5.34 H new ATOM 1371 N ASP A 87 12.228 10.936 -16.902 1.00 64.42 N ATOM 1372 CA ASP A 87 10.836 10.812 -16.506 1.00 51.21 C ATOM 1373 C ASP A 87 10.277 9.488 -17.030 1.00 34.00 C ATOM 1374 O ASP A 87 9.590 9.460 -18.050 1.00 44.25 O ATOM 1375 CB ASP A 87 9.994 11.946 -17.093 1.00 53.54 C ATOM 1376 CG ASP A 87 10.622 13.338 -16.991 1.00 73.15 C ATOM 1377 OD1 ASP A 87 11.843 13.477 -16.830 1.00 63.15 O ATOM 1378 OD2 ASP A 87 9.790 14.320 -17.085 1.00 61.44 O ATOM 0 H ASP A 87 12.410 11.654 -17.603 1.00 64.42 H new ATOM 0 HA ASP A 87 10.790 10.854 -15.418 1.00 51.21 H new ATOM 0 HB2 ASP A 87 9.800 11.728 -18.143 1.00 53.54 H new ATOM 0 HB3 ASP A 87 9.029 11.961 -16.587 1.00 53.54 H new ATOM 1384 N LEU A 88 10.591 8.423 -16.308 1.00 33.34 N ATOM 1385 CA LEU A 88 10.128 7.098 -16.687 1.00 1.43 C ATOM 1386 C LEU A 88 8.604 7.113 -16.816 1.00 54.21 C ATOM 1387 O LEU A 88 7.894 6.767 -15.873 1.00 53.02 O ATOM 1388 CB LEU A 88 10.652 6.047 -15.707 1.00 31.15 C ATOM 1389 CG LEU A 88 12.166 6.031 -15.485 1.00 52.34 C ATOM 1390 CD1 LEU A 88 12.596 4.776 -14.723 1.00 54.41 C ATOM 1391 CD2 LEU A 88 12.915 6.182 -16.811 1.00 21.41 C ATOM 0 H LEU A 88 11.161 8.450 -15.462 1.00 33.34 H new ATOM 0 HA LEU A 88 10.528 6.819 -17.662 1.00 1.43 H new ATOM 0 HB2 LEU A 88 10.165 6.203 -14.744 1.00 31.15 H new ATOM 0 HB3 LEU A 88 10.347 5.063 -16.063 1.00 31.15 H new ATOM 0 HG LEU A 88 12.430 6.888 -14.866 1.00 52.34 H new ATOM 0 HD11 LEU A 88 13.676 4.790 -14.579 1.00 54.41 H new ATOM 0 HD12 LEU A 88 12.101 4.752 -13.752 1.00 54.41 H new ATOM 0 HD13 LEU A 88 12.318 3.890 -15.294 1.00 54.41 H new ATOM 0 HD21 LEU A 88 13.989 6.168 -16.626 1.00 21.41 H new ATOM 0 HD22 LEU A 88 12.650 5.359 -17.474 1.00 21.41 H new ATOM 0 HD23 LEU A 88 12.640 7.127 -17.279 1.00 21.41 H new ATOM 1403 N ASN A 89 8.145 7.518 -17.992 1.00 24.43 N ATOM 1404 CA ASN A 89 6.718 7.582 -18.257 1.00 22.04 C ATOM 1405 C ASN A 89 5.987 8.015 -16.984 1.00 73.15 C ATOM 1406 O ASN A 89 5.019 7.376 -16.573 1.00 4.55 O ATOM 1407 CB ASN A 89 6.173 6.214 -18.673 1.00 41.52 C ATOM 1408 CG ASN A 89 7.033 5.085 -18.103 1.00 70.42 C ATOM 1409 OD1 ASN A 89 6.647 4.377 -17.187 1.00 53.14 O ATOM 1410 ND2 ASN A 89 8.217 4.955 -18.694 1.00 43.42 N ATOM 0 H ASN A 89 8.737 7.805 -18.772 1.00 24.43 H new ATOM 0 HA ASN A 89 6.556 8.295 -19.065 1.00 22.04 H new ATOM 0 HB2 ASN A 89 5.146 6.106 -18.323 1.00 41.52 H new ATOM 0 HB3 ASN A 89 6.148 6.144 -19.760 1.00 41.52 H new ATOM 0 HD21 ASN A 89 8.864 4.229 -18.386 1.00 43.42 H new ATOM 0 HD22 ASN A 89 8.478 5.581 -19.456 1.00 43.42 H new ATOM 1417 N SER A 90 6.477 9.097 -16.398 1.00 33.04 N ATOM 1418 CA SER A 90 5.882 9.623 -15.181 1.00 33.23 C ATOM 1419 C SER A 90 4.388 9.877 -15.396 1.00 4.20 C ATOM 1420 O SER A 90 3.989 10.415 -16.428 1.00 21.14 O ATOM 1421 CB SER A 90 6.581 10.909 -14.737 1.00 52.32 C ATOM 1422 OG SER A 90 5.731 11.732 -13.942 1.00 61.11 O ATOM 0 H SER A 90 7.279 9.624 -16.743 1.00 33.04 H new ATOM 0 HA SER A 90 6.008 8.882 -14.391 1.00 33.23 H new ATOM 0 HB2 SER A 90 7.476 10.657 -14.169 1.00 52.32 H new ATOM 0 HB3 SER A 90 6.907 11.466 -15.615 1.00 52.32 H new ATOM 0 HG SER A 90 6.272 12.234 -13.297 1.00 61.11 H new ATOM 1428 N THR A 91 3.604 9.479 -14.405 1.00 61.33 N ATOM 1429 CA THR A 91 2.164 9.657 -14.473 1.00 74.22 C ATOM 1430 C THR A 91 1.822 10.978 -15.165 1.00 73.44 C ATOM 1431 O THR A 91 0.983 11.013 -16.064 1.00 72.53 O ATOM 1432 CB THR A 91 1.607 9.554 -13.052 1.00 30.31 C ATOM 1433 OG1 THR A 91 0.499 10.450 -13.047 1.00 3.10 O ATOM 1434 CG2 THR A 91 2.561 10.134 -12.006 1.00 12.31 C ATOM 0 H THR A 91 3.939 9.034 -13.551 1.00 61.33 H new ATOM 0 HA THR A 91 1.698 8.879 -15.078 1.00 74.22 H new ATOM 0 HB THR A 91 1.403 8.509 -12.817 1.00 30.31 H new ATOM 0 HG1 THR A 91 0.078 10.445 -12.162 1.00 3.10 H new ATOM 0 HG21 THR A 91 2.118 10.036 -11.015 1.00 12.31 H new ATOM 0 HG22 THR A 91 3.506 9.592 -12.036 1.00 12.31 H new ATOM 0 HG23 THR A 91 2.739 11.188 -12.221 1.00 12.31 H new ATOM 1442 N HIS A 92 2.489 12.032 -14.720 1.00 51.13 N ATOM 1443 CA HIS A 92 2.266 13.352 -15.286 1.00 22.03 C ATOM 1444 C HIS A 92 3.504 13.789 -16.072 1.00 31.01 C ATOM 1445 O HIS A 92 3.409 14.122 -17.252 1.00 74.33 O ATOM 1446 CB HIS A 92 1.873 14.351 -14.195 1.00 63.34 C ATOM 1447 CG HIS A 92 1.195 13.722 -13.002 1.00 21.42 C ATOM 1448 ND1 HIS A 92 -0.165 13.832 -12.768 1.00 24.52 N ATOM 1449 CD2 HIS A 92 1.703 12.975 -11.980 1.00 34.44 C ATOM 1450 CE1 HIS A 92 -0.451 13.177 -11.652 1.00 12.30 C ATOM 1451 NE2 HIS A 92 0.707 12.647 -11.165 1.00 3.43 N ATOM 0 H HIS A 92 3.184 11.999 -13.974 1.00 51.13 H new ATOM 0 HA HIS A 92 1.429 13.316 -15.984 1.00 22.03 H new ATOM 0 HB2 HIS A 92 2.767 14.875 -13.857 1.00 63.34 H new ATOM 0 HB3 HIS A 92 1.208 15.100 -14.625 1.00 63.34 H new ATOM 0 HD1 HIS A 92 -0.833 14.332 -13.355 1.00 24.52 H new ATOM 0 HD2 HIS A 92 2.739 12.697 -11.855 1.00 34.44 H new ATOM 0 HE1 HIS A 92 -1.430 13.080 -11.206 1.00 12.30 H new ATOM 1459 N GLY A 93 4.637 13.774 -15.386 1.00 21.13 N ATOM 1460 CA GLY A 93 5.892 14.164 -16.005 1.00 3.41 C ATOM 1461 C GLY A 93 6.846 14.774 -14.975 1.00 35.01 C ATOM 1462 O GLY A 93 6.500 14.898 -13.801 1.00 53.20 O ATOM 0 H GLY A 93 4.712 13.498 -14.407 1.00 21.13 H new ATOM 0 HA2 GLY A 93 6.359 13.295 -16.468 1.00 3.41 H new ATOM 0 HA3 GLY A 93 5.701 14.885 -16.800 1.00 3.41 H new ATOM 1466 N THR A 94 8.027 15.138 -15.452 1.00 12.02 N ATOM 1467 CA THR A 94 9.032 15.732 -14.587 1.00 64.51 C ATOM 1468 C THR A 94 9.443 17.108 -15.113 1.00 50.23 C ATOM 1469 O THR A 94 9.302 17.390 -16.302 1.00 74.44 O ATOM 1470 CB THR A 94 10.201 14.750 -14.477 1.00 74.34 C ATOM 1471 OG1 THR A 94 9.577 13.469 -14.455 1.00 73.25 O ATOM 1472 CG2 THR A 94 10.916 14.839 -13.128 1.00 32.13 C ATOM 0 H THR A 94 8.311 15.033 -16.426 1.00 12.02 H new ATOM 0 HA THR A 94 8.639 15.906 -13.585 1.00 64.51 H new ATOM 0 HB THR A 94 10.914 14.943 -15.279 1.00 74.34 H new ATOM 0 HG1 THR A 94 10.263 12.772 -14.387 1.00 73.25 H new ATOM 0 HG21 THR A 94 11.736 14.122 -13.103 1.00 32.13 H new ATOM 0 HG22 THR A 94 11.310 15.846 -12.991 1.00 32.13 H new ATOM 0 HG23 THR A 94 10.212 14.613 -12.327 1.00 32.13 H new ATOM 1480 N PHE A 95 9.943 17.930 -14.202 1.00 63.51 N ATOM 1481 CA PHE A 95 10.375 19.270 -14.559 1.00 44.04 C ATOM 1482 C PHE A 95 11.702 19.618 -13.881 1.00 61.51 C ATOM 1483 O PHE A 95 12.104 18.960 -12.922 1.00 42.14 O ATOM 1484 CB PHE A 95 9.296 20.235 -14.065 1.00 74.42 C ATOM 1485 CG PHE A 95 8.164 20.469 -15.068 1.00 44.24 C ATOM 1486 CD1 PHE A 95 7.321 19.453 -15.392 1.00 35.13 C ATOM 1487 CD2 PHE A 95 8.003 21.694 -15.637 1.00 12.22 C ATOM 1488 CE1 PHE A 95 6.271 19.671 -16.323 1.00 34.44 C ATOM 1489 CE2 PHE A 95 6.953 21.912 -16.568 1.00 31.12 C ATOM 1490 CZ PHE A 95 6.109 20.896 -16.891 1.00 70.40 C ATOM 0 H PHE A 95 10.058 17.693 -13.217 1.00 63.51 H new ATOM 0 HA PHE A 95 10.520 19.338 -15.637 1.00 44.04 H new ATOM 0 HB2 PHE A 95 8.872 19.847 -13.139 1.00 74.42 H new ATOM 0 HB3 PHE A 95 9.760 21.192 -13.827 1.00 74.42 H new ATOM 0 HD1 PHE A 95 7.450 18.480 -14.941 1.00 35.13 H new ATOM 0 HD2 PHE A 95 8.674 22.501 -15.381 1.00 12.22 H new ATOM 0 HE1 PHE A 95 5.601 18.864 -16.580 1.00 34.44 H new ATOM 0 HE2 PHE A 95 6.825 22.885 -17.019 1.00 31.12 H new ATOM 0 HZ PHE A 95 5.310 21.062 -17.599 1.00 70.40 H new ATOM 1500 N LEU A 96 12.345 20.650 -14.406 1.00 5.24 N ATOM 1501 CA LEU A 96 13.619 21.093 -13.863 1.00 35.03 C ATOM 1502 C LEU A 96 13.493 22.546 -13.399 1.00 72.42 C ATOM 1503 O LEU A 96 14.281 23.400 -13.802 1.00 74.02 O ATOM 1504 CB LEU A 96 14.741 20.866 -14.877 1.00 5.02 C ATOM 1505 CG LEU A 96 16.130 21.355 -14.461 1.00 1.53 C ATOM 1506 CD1 LEU A 96 16.448 20.943 -13.022 1.00 43.41 C ATOM 1507 CD2 LEU A 96 17.199 20.874 -15.444 1.00 54.44 C ATOM 0 H LEU A 96 12.008 21.193 -15.201 1.00 5.24 H new ATOM 0 HA LEU A 96 13.887 20.501 -12.988 1.00 35.03 H new ATOM 0 HB2 LEU A 96 14.802 19.799 -15.089 1.00 5.02 H new ATOM 0 HB3 LEU A 96 14.467 21.361 -15.809 1.00 5.02 H new ATOM 0 HG LEU A 96 16.131 22.445 -14.492 1.00 1.53 H new ATOM 0 HD11 LEU A 96 17.441 21.303 -12.751 1.00 43.41 H new ATOM 0 HD12 LEU A 96 15.709 21.376 -12.348 1.00 43.41 H new ATOM 0 HD13 LEU A 96 16.421 19.856 -12.940 1.00 43.41 H new ATOM 0 HD21 LEU A 96 18.176 21.236 -15.124 1.00 54.44 H new ATOM 0 HD22 LEU A 96 17.206 19.784 -15.469 1.00 54.44 H new ATOM 0 HD23 LEU A 96 16.977 21.259 -16.439 1.00 54.44 H new ATOM 1519 N GLY A 97 12.496 22.781 -12.559 1.00 21.13 N ATOM 1520 CA GLY A 97 12.257 24.115 -12.036 1.00 0.40 C ATOM 1521 C GLY A 97 11.151 24.822 -12.822 1.00 41.32 C ATOM 1522 O GLY A 97 10.070 25.074 -12.291 1.00 64.41 O ATOM 0 H GLY A 97 11.844 22.070 -12.228 1.00 21.13 H new ATOM 0 HA2 GLY A 97 11.978 24.052 -10.984 1.00 0.40 H new ATOM 0 HA3 GLY A 97 13.175 24.700 -12.088 1.00 0.40 H new ATOM 1526 N HIS A 98 11.459 25.123 -14.075 1.00 44.02 N ATOM 1527 CA HIS A 98 10.505 25.796 -14.940 1.00 21.01 C ATOM 1528 C HIS A 98 10.491 25.120 -16.312 1.00 53.14 C ATOM 1529 O HIS A 98 9.912 25.647 -17.262 1.00 24.42 O ATOM 1530 CB HIS A 98 10.806 27.294 -15.020 1.00 25.23 C ATOM 1531 CG HIS A 98 11.669 27.685 -16.196 1.00 20.11 C ATOM 1532 ND1 HIS A 98 13.028 27.922 -16.083 1.00 12.50 N ATOM 1533 CD2 HIS A 98 11.352 27.876 -17.509 1.00 4.02 C ATOM 1534 CE1 HIS A 98 13.497 28.243 -17.280 1.00 23.52 C ATOM 1535 NE2 HIS A 98 12.457 28.214 -18.162 1.00 64.30 N ATOM 0 H HIS A 98 12.356 24.913 -14.512 1.00 44.02 H new ATOM 0 HA HIS A 98 9.503 25.708 -14.520 1.00 21.01 H new ATOM 0 HB2 HIS A 98 9.865 27.841 -15.075 1.00 25.23 H new ATOM 0 HB3 HIS A 98 11.301 27.604 -14.100 1.00 25.23 H new ATOM 0 HD2 HIS A 98 10.369 27.770 -17.943 1.00 4.02 H new ATOM 0 HE1 HIS A 98 14.523 28.485 -17.516 1.00 23.52 H new ATOM 0 HE2 HIS A 98 12.518 28.418 -19.159 1.00 64.30 H new ATOM 1543 N ILE A 99 11.134 23.964 -16.374 1.00 22.54 N ATOM 1544 CA ILE A 99 11.203 23.210 -17.614 1.00 71.00 C ATOM 1545 C ILE A 99 10.579 21.829 -17.402 1.00 55.32 C ATOM 1546 O ILE A 99 10.450 21.369 -16.269 1.00 1.54 O ATOM 1547 CB ILE A 99 12.642 23.161 -18.132 1.00 54.34 C ATOM 1548 CG1 ILE A 99 13.294 24.544 -18.069 1.00 23.31 C ATOM 1549 CG2 ILE A 99 12.697 22.565 -19.541 1.00 1.45 C ATOM 1550 CD1 ILE A 99 14.803 24.449 -18.302 1.00 65.30 C ATOM 0 H ILE A 99 11.613 23.530 -15.585 1.00 22.54 H new ATOM 0 HA ILE A 99 10.624 23.706 -18.393 1.00 71.00 H new ATOM 0 HB ILE A 99 13.218 22.503 -17.481 1.00 54.34 H new ATOM 0 HG12 ILE A 99 12.847 25.196 -18.820 1.00 23.31 H new ATOM 0 HG13 ILE A 99 13.100 24.998 -17.097 1.00 23.31 H new ATOM 0 HG21 ILE A 99 13.731 22.541 -19.886 1.00 1.45 H new ATOM 0 HG22 ILE A 99 12.297 21.551 -19.523 1.00 1.45 H new ATOM 0 HG23 ILE A 99 12.102 23.178 -20.219 1.00 1.45 H new ATOM 0 HD11 ILE A 99 15.242 25.445 -18.252 1.00 65.30 H new ATOM 0 HD12 ILE A 99 15.250 23.816 -17.535 1.00 65.30 H new ATOM 0 HD13 ILE A 99 14.993 24.017 -19.285 1.00 65.30 H new ATOM 1562 N ARG A 100 10.207 21.207 -18.511 1.00 71.21 N ATOM 1563 CA ARG A 100 9.599 19.888 -18.461 1.00 60.11 C ATOM 1564 C ARG A 100 10.425 18.892 -19.278 1.00 33.45 C ATOM 1565 O ARG A 100 11.051 19.264 -20.268 1.00 42.14 O ATOM 1566 CB ARG A 100 8.169 19.920 -19.004 1.00 32.25 C ATOM 1567 CG ARG A 100 8.162 19.906 -20.533 1.00 42.25 C ATOM 1568 CD ARG A 100 7.989 18.483 -21.068 1.00 55.34 C ATOM 1569 NE ARG A 100 6.759 17.879 -20.509 1.00 73.03 N ATOM 1570 CZ ARG A 100 5.537 17.993 -21.071 1.00 75.42 C ATOM 1571 NH1 ARG A 100 5.370 18.690 -22.215 1.00 5.30 N ATOM 1572 NH2 ARG A 100 4.506 17.412 -20.485 1.00 62.54 N ATOM 0 H ARG A 100 10.315 21.592 -19.449 1.00 71.21 H new ATOM 0 HA ARG A 100 9.572 19.574 -17.418 1.00 60.11 H new ATOM 0 HB2 ARG A 100 7.614 19.061 -18.627 1.00 32.25 H new ATOM 0 HB3 ARG A 100 7.659 20.813 -18.643 1.00 32.25 H new ATOM 0 HG2 ARG A 100 7.354 20.538 -20.902 1.00 42.25 H new ATOM 0 HG3 ARG A 100 9.094 20.329 -20.908 1.00 42.25 H new ATOM 0 HD2 ARG A 100 7.934 18.499 -22.156 1.00 55.34 H new ATOM 0 HD3 ARG A 100 8.855 17.877 -20.801 1.00 55.34 H new ATOM 0 HE ARG A 100 6.840 17.343 -19.645 1.00 73.03 H new ATOM 0 HH11 ARG A 100 6.171 19.136 -22.662 1.00 5.30 H new ATOM 0 HH12 ARG A 100 4.443 18.771 -22.632 1.00 5.30 H new ATOM 0 HH21 ARG A 100 4.640 16.887 -19.621 1.00 62.54 H new ATOM 0 HH22 ARG A 100 3.576 17.488 -20.897 1.00 62.54 H new ATOM 1585 N LEU A 101 10.399 17.644 -18.831 1.00 52.42 N ATOM 1586 CA LEU A 101 11.137 16.592 -19.508 1.00 62.21 C ATOM 1587 C LEU A 101 10.150 15.602 -20.131 1.00 25.04 C ATOM 1588 O LEU A 101 8.989 15.544 -19.731 1.00 55.03 O ATOM 1589 CB LEU A 101 12.140 15.942 -18.553 1.00 63.21 C ATOM 1590 CG LEU A 101 12.208 16.536 -17.145 1.00 1.41 C ATOM 1591 CD1 LEU A 101 13.225 15.787 -16.282 1.00 34.34 C ATOM 1592 CD2 LEU A 101 12.497 18.038 -17.197 1.00 61.12 C ATOM 0 H LEU A 101 9.878 17.339 -18.009 1.00 52.42 H new ATOM 0 HA LEU A 101 11.730 17.006 -20.323 1.00 62.21 H new ATOM 0 HB2 LEU A 101 11.896 14.883 -18.468 1.00 63.21 H new ATOM 0 HB3 LEU A 101 13.132 16.006 -19.001 1.00 63.21 H new ATOM 0 HG LEU A 101 11.233 16.411 -16.675 1.00 1.41 H new ATOM 0 HD11 LEU A 101 13.253 16.230 -15.286 1.00 34.34 H new ATOM 0 HD12 LEU A 101 12.935 14.739 -16.205 1.00 34.34 H new ATOM 0 HD13 LEU A 101 14.212 15.858 -16.739 1.00 34.34 H new ATOM 0 HD21 LEU A 101 12.540 18.436 -16.183 1.00 61.12 H new ATOM 0 HD22 LEU A 101 13.452 18.208 -17.694 1.00 61.12 H new ATOM 0 HD23 LEU A 101 11.705 18.542 -17.751 1.00 61.12 H new ATOM 1604 N GLU A 102 10.650 14.848 -21.099 1.00 33.22 N ATOM 1605 CA GLU A 102 9.827 13.863 -21.780 1.00 54.35 C ATOM 1606 C GLU A 102 9.805 12.552 -20.992 1.00 41.13 C ATOM 1607 O GLU A 102 10.720 12.273 -20.220 1.00 5.15 O ATOM 1608 CB GLU A 102 10.317 13.635 -23.212 1.00 22.25 C ATOM 1609 CG GLU A 102 10.452 14.961 -23.963 1.00 62.41 C ATOM 1610 CD GLU A 102 9.463 15.033 -25.129 1.00 5.45 C ATOM 1611 OE1 GLU A 102 9.749 15.685 -26.144 1.00 11.51 O ATOM 1612 OE2 GLU A 102 8.365 14.381 -24.953 1.00 32.40 O ATOM 0 H GLU A 102 11.614 14.899 -21.428 1.00 33.22 H new ATOM 0 HA GLU A 102 8.808 14.246 -21.836 1.00 54.35 H new ATOM 0 HB2 GLU A 102 11.279 13.124 -23.194 1.00 22.25 H new ATOM 0 HB3 GLU A 102 9.620 12.984 -23.739 1.00 22.25 H new ATOM 0 HG2 GLU A 102 10.274 15.791 -23.279 1.00 62.41 H new ATOM 0 HG3 GLU A 102 11.470 15.069 -24.337 1.00 62.41 H new ATOM 1620 N PRO A 103 8.722 11.762 -21.221 1.00 63.40 N ATOM 1621 CA PRO A 103 8.570 10.487 -20.541 1.00 74.53 C ATOM 1622 C PRO A 103 9.507 9.433 -21.135 1.00 2.13 C ATOM 1623 O PRO A 103 9.059 8.375 -21.573 1.00 24.41 O ATOM 1624 CB PRO A 103 7.100 10.130 -20.699 1.00 4.32 C ATOM 1625 CG PRO A 103 6.587 10.979 -21.850 1.00 54.51 C ATOM 1626 CD PRO A 103 7.619 12.060 -22.129 1.00 72.33 C ATOM 0 HA PRO A 103 8.844 10.537 -19.487 1.00 74.53 H new ATOM 0 HB2 PRO A 103 6.977 9.068 -20.912 1.00 4.32 H new ATOM 0 HB3 PRO A 103 6.547 10.338 -19.783 1.00 4.32 H new ATOM 0 HG2 PRO A 103 6.429 10.365 -22.736 1.00 54.51 H new ATOM 0 HG3 PRO A 103 5.626 11.426 -21.596 1.00 54.51 H new ATOM 0 HD2 PRO A 103 7.945 12.037 -23.169 1.00 72.33 H new ATOM 0 HD3 PRO A 103 7.211 13.054 -21.944 1.00 72.33 H new ATOM 1634 N HIS A 104 10.791 9.760 -21.129 1.00 62.25 N ATOM 1635 CA HIS A 104 11.796 8.855 -21.662 1.00 31.14 C ATOM 1636 C HIS A 104 13.108 9.613 -21.875 1.00 31.34 C ATOM 1637 O HIS A 104 14.178 9.120 -21.522 1.00 61.50 O ATOM 1638 CB HIS A 104 11.292 8.172 -22.935 1.00 22.03 C ATOM 1639 CG HIS A 104 10.762 6.775 -22.714 1.00 2.22 C ATOM 1640 ND1 HIS A 104 11.521 5.767 -22.146 1.00 32.34 N ATOM 1641 CD2 HIS A 104 9.542 6.231 -22.989 1.00 63.15 C ATOM 1642 CE1 HIS A 104 10.781 4.669 -22.088 1.00 2.12 C ATOM 1643 NE2 HIS A 104 9.556 4.959 -22.612 1.00 34.43 N ATOM 0 H HIS A 104 11.159 10.639 -20.764 1.00 62.25 H new ATOM 0 HA HIS A 104 11.990 8.058 -20.944 1.00 31.14 H new ATOM 0 HB2 HIS A 104 10.504 8.783 -23.375 1.00 22.03 H new ATOM 0 HB3 HIS A 104 12.106 8.131 -23.659 1.00 22.03 H new ATOM 0 HD2 HIS A 104 8.706 6.748 -23.437 1.00 63.15 H new ATOM 0 HE1 HIS A 104 11.093 3.713 -21.695 1.00 2.12 H new ATOM 0 HE2 HIS A 104 8.778 4.305 -22.700 1.00 34.43 H new ATOM 1651 N LYS A 105 12.982 10.799 -22.450 1.00 52.25 N ATOM 1652 CA LYS A 105 14.144 11.630 -22.715 1.00 1.13 C ATOM 1653 C LYS A 105 14.665 12.205 -21.396 1.00 52.41 C ATOM 1654 O LYS A 105 13.918 12.841 -20.654 1.00 34.53 O ATOM 1655 CB LYS A 105 13.814 12.695 -23.763 1.00 4.04 C ATOM 1656 CG LYS A 105 13.048 12.088 -24.939 1.00 74.41 C ATOM 1657 CD LYS A 105 13.264 12.904 -26.215 1.00 12.33 C ATOM 1658 CE LYS A 105 11.991 12.945 -27.062 1.00 74.32 C ATOM 1659 NZ LYS A 105 11.814 11.670 -27.794 1.00 44.40 N ATOM 0 H LYS A 105 12.092 11.205 -22.740 1.00 52.25 H new ATOM 0 HA LYS A 105 14.949 11.034 -23.144 1.00 1.13 H new ATOM 0 HB2 LYS A 105 13.220 13.487 -23.307 1.00 4.04 H new ATOM 0 HB3 LYS A 105 14.735 13.154 -24.122 1.00 4.04 H new ATOM 0 HG2 LYS A 105 13.376 11.061 -25.100 1.00 74.41 H new ATOM 0 HG3 LYS A 105 11.984 12.049 -24.704 1.00 74.41 H new ATOM 0 HD2 LYS A 105 13.565 13.919 -25.955 1.00 12.33 H new ATOM 0 HD3 LYS A 105 14.077 12.469 -26.796 1.00 12.33 H new ATOM 0 HE2 LYS A 105 11.127 13.127 -26.422 1.00 74.32 H new ATOM 0 HE3 LYS A 105 12.044 13.773 -27.769 1.00 74.32 H new ATOM 0 HZ1 LYS A 105 10.945 11.715 -28.364 1.00 44.40 H new ATOM 0 HZ2 LYS A 105 12.630 11.512 -28.419 1.00 44.40 H new ATOM 0 HZ3 LYS A 105 11.742 10.886 -27.114 1.00 44.40 H new ATOM 1672 N PRO A 106 15.977 11.956 -21.138 1.00 74.23 N ATOM 1673 CA PRO A 106 16.606 12.442 -19.922 1.00 60.32 C ATOM 1674 C PRO A 106 16.873 13.946 -20.006 1.00 70.12 C ATOM 1675 O PRO A 106 17.065 14.486 -21.094 1.00 54.14 O ATOM 1676 CB PRO A 106 17.877 11.620 -19.781 1.00 72.24 C ATOM 1677 CG PRO A 106 18.149 11.034 -21.157 1.00 72.14 C ATOM 1678 CD PRO A 106 16.892 11.207 -21.995 1.00 1.25 C ATOM 0 HA PRO A 106 15.971 12.323 -19.044 1.00 60.32 H new ATOM 0 HB2 PRO A 106 18.709 12.241 -19.450 1.00 72.24 H new ATOM 0 HB3 PRO A 106 17.752 10.832 -19.039 1.00 72.24 H new ATOM 0 HG2 PRO A 106 18.993 11.539 -21.627 1.00 72.14 H new ATOM 0 HG3 PRO A 106 18.412 9.979 -21.077 1.00 72.14 H new ATOM 0 HD2 PRO A 106 17.102 11.747 -22.918 1.00 1.25 H new ATOM 0 HD3 PRO A 106 16.469 10.243 -22.279 1.00 1.25 H new ATOM 1686 N GLN A 107 16.877 14.580 -18.843 1.00 21.43 N ATOM 1687 CA GLN A 107 17.118 16.011 -18.771 1.00 35.22 C ATOM 1688 C GLN A 107 18.201 16.316 -17.734 1.00 74.21 C ATOM 1689 O GLN A 107 17.990 16.127 -16.537 1.00 15.40 O ATOM 1690 CB GLN A 107 15.827 16.768 -18.454 1.00 54.52 C ATOM 1691 CG GLN A 107 16.131 18.154 -17.881 1.00 34.04 C ATOM 1692 CD GLN A 107 17.098 18.921 -18.784 1.00 52.34 C ATOM 1693 OE1 GLN A 107 16.980 18.928 -19.999 1.00 4.12 O ATOM 1694 NE2 GLN A 107 18.057 19.565 -18.126 1.00 44.53 N ATOM 0 H GLN A 107 16.717 14.129 -17.942 1.00 21.43 H new ATOM 0 HA GLN A 107 17.470 16.350 -19.745 1.00 35.22 H new ATOM 0 HB2 GLN A 107 15.228 16.868 -19.359 1.00 54.52 H new ATOM 0 HB3 GLN A 107 15.233 16.198 -17.740 1.00 54.52 H new ATOM 0 HG2 GLN A 107 15.204 18.718 -17.773 1.00 34.04 H new ATOM 0 HG3 GLN A 107 16.561 18.053 -16.885 1.00 34.04 H new ATOM 0 HE21 GLN A 107 18.098 19.517 -17.108 1.00 44.53 H new ATOM 0 HE22 GLN A 107 18.752 20.107 -18.639 1.00 44.53 H new ATOM 1703 N GLN A 108 19.337 16.782 -18.232 1.00 33.34 N ATOM 1704 CA GLN A 108 20.453 17.114 -17.363 1.00 42.52 C ATOM 1705 C GLN A 108 19.957 17.861 -16.123 1.00 42.45 C ATOM 1706 O GLN A 108 18.827 18.346 -16.097 1.00 40.13 O ATOM 1707 CB GLN A 108 21.505 17.934 -18.113 1.00 3.23 C ATOM 1708 CG GLN A 108 21.555 19.371 -17.590 1.00 4.30 C ATOM 1709 CD GLN A 108 22.574 20.204 -18.371 1.00 63.41 C ATOM 1710 OE1 GLN A 108 22.618 20.195 -19.590 1.00 73.23 O ATOM 1711 NE2 GLN A 108 23.389 20.921 -17.603 1.00 41.41 N ATOM 0 H GLN A 108 19.508 16.937 -19.225 1.00 33.34 H new ATOM 0 HA GLN A 108 20.925 16.186 -17.039 1.00 42.52 H new ATOM 0 HB2 GLN A 108 22.484 17.468 -18.000 1.00 3.23 H new ATOM 0 HB3 GLN A 108 21.276 17.939 -19.179 1.00 3.23 H new ATOM 0 HG2 GLN A 108 20.568 19.826 -17.673 1.00 4.30 H new ATOM 0 HG3 GLN A 108 21.817 19.368 -16.532 1.00 4.30 H new ATOM 0 HE21 GLN A 108 23.298 20.883 -16.588 1.00 41.41 H new ATOM 0 HE22 GLN A 108 24.105 21.509 -18.029 1.00 41.41 H new ATOM 1720 N ILE A 109 20.827 17.931 -15.126 1.00 72.33 N ATOM 1721 CA ILE A 109 20.491 18.610 -13.887 1.00 2.44 C ATOM 1722 C ILE A 109 21.711 19.389 -13.390 1.00 64.24 C ATOM 1723 O ILE A 109 22.694 18.795 -12.950 1.00 63.22 O ATOM 1724 CB ILE A 109 19.938 17.616 -12.863 1.00 41.44 C ATOM 1725 CG1 ILE A 109 18.915 16.678 -13.508 1.00 3.44 C ATOM 1726 CG2 ILE A 109 19.362 18.345 -11.648 1.00 32.25 C ATOM 1727 CD1 ILE A 109 17.611 17.417 -13.814 1.00 32.12 C ATOM 0 H ILE A 109 21.764 17.529 -15.151 1.00 72.33 H new ATOM 0 HA ILE A 109 19.695 19.335 -14.055 1.00 2.44 H new ATOM 0 HB ILE A 109 20.762 16.998 -12.506 1.00 41.44 H new ATOM 0 HG12 ILE A 109 19.326 16.263 -14.428 1.00 3.44 H new ATOM 0 HG13 ILE A 109 18.714 15.839 -12.841 1.00 3.44 H new ATOM 0 HG21 ILE A 109 18.976 17.616 -10.936 1.00 32.25 H new ATOM 0 HG22 ILE A 109 20.145 18.936 -11.173 1.00 32.25 H new ATOM 0 HG23 ILE A 109 18.554 19.003 -11.968 1.00 32.25 H new ATOM 0 HD11 ILE A 109 16.901 16.728 -14.272 1.00 32.12 H new ATOM 0 HD12 ILE A 109 17.190 17.810 -12.889 1.00 32.12 H new ATOM 0 HD13 ILE A 109 17.812 18.240 -14.500 1.00 32.12 H new ATOM 1739 N PRO A 110 21.606 20.742 -13.481 1.00 34.34 N ATOM 1740 CA PRO A 110 22.688 21.608 -13.046 1.00 64.31 C ATOM 1741 C PRO A 110 22.754 21.680 -11.519 1.00 73.11 C ATOM 1742 O PRO A 110 21.777 21.373 -10.837 1.00 62.12 O ATOM 1743 CB PRO A 110 22.400 22.953 -13.693 1.00 20.34 C ATOM 1744 CG PRO A 110 20.931 22.922 -14.082 1.00 61.41 C ATOM 1745 CD PRO A 110 20.457 21.480 -13.997 1.00 13.13 C ATOM 0 HA PRO A 110 23.669 21.239 -13.346 1.00 64.31 H new ATOM 0 HB2 PRO A 110 22.604 23.771 -13.002 1.00 20.34 H new ATOM 0 HB3 PRO A 110 23.032 23.109 -14.567 1.00 20.34 H new ATOM 0 HG2 PRO A 110 20.346 23.556 -13.416 1.00 61.41 H new ATOM 0 HG3 PRO A 110 20.795 23.310 -15.092 1.00 61.41 H new ATOM 0 HD2 PRO A 110 19.596 21.385 -13.336 1.00 13.13 H new ATOM 0 HD3 PRO A 110 20.152 21.105 -14.974 1.00 13.13 H new ATOM 1753 N ILE A 111 23.914 22.088 -11.027 1.00 63.31 N ATOM 1754 CA ILE A 111 24.120 22.204 -9.593 1.00 52.33 C ATOM 1755 C ILE A 111 23.248 23.337 -9.048 1.00 34.10 C ATOM 1756 O ILE A 111 22.983 24.313 -9.748 1.00 14.23 O ATOM 1757 CB ILE A 111 25.608 22.367 -9.277 1.00 11.11 C ATOM 1758 CG1 ILE A 111 26.439 21.291 -9.979 1.00 53.21 C ATOM 1759 CG2 ILE A 111 25.849 22.382 -7.766 1.00 14.00 C ATOM 1760 CD1 ILE A 111 25.916 19.892 -9.648 1.00 60.21 C ATOM 0 H ILE A 111 24.722 22.343 -11.596 1.00 63.31 H new ATOM 0 HA ILE A 111 23.809 21.290 -9.088 1.00 52.33 H new ATOM 0 HB ILE A 111 25.936 23.331 -9.665 1.00 11.11 H new ATOM 0 HG12 ILE A 111 26.409 21.449 -11.057 1.00 53.21 H new ATOM 0 HG13 ILE A 111 27.482 21.375 -9.674 1.00 53.21 H new ATOM 0 HG21 ILE A 111 26.915 22.499 -7.569 1.00 14.00 H new ATOM 0 HG22 ILE A 111 25.304 23.213 -7.319 1.00 14.00 H new ATOM 0 HG23 ILE A 111 25.501 21.445 -7.333 1.00 14.00 H new ATOM 0 HD11 ILE A 111 26.524 19.146 -10.159 1.00 60.21 H new ATOM 0 HD12 ILE A 111 25.970 19.729 -8.572 1.00 60.21 H new ATOM 0 HD13 ILE A 111 24.881 19.803 -9.977 1.00 60.21 H new ATOM 1772 N ASP A 112 22.825 23.169 -7.803 1.00 64.24 N ATOM 1773 CA ASP A 112 21.989 24.165 -7.156 1.00 75.21 C ATOM 1774 C ASP A 112 20.713 24.365 -7.977 1.00 62.33 C ATOM 1775 O ASP A 112 20.013 25.362 -7.810 1.00 33.22 O ATOM 1776 CB ASP A 112 22.707 25.512 -7.064 1.00 3.23 C ATOM 1777 CG ASP A 112 23.587 25.692 -5.825 1.00 1.11 C ATOM 1778 OD1 ASP A 112 23.200 26.367 -4.859 1.00 43.35 O ATOM 1779 OD2 ASP A 112 24.730 25.096 -5.877 1.00 1.32 O ATOM 0 H ASP A 112 23.046 22.358 -7.226 1.00 64.24 H new ATOM 0 HA ASP A 112 21.759 23.810 -6.152 1.00 75.21 H new ATOM 0 HB2 ASP A 112 23.326 25.638 -7.952 1.00 3.23 H new ATOM 0 HB3 ASP A 112 21.961 26.306 -7.080 1.00 3.23 H new ATOM 1785 N SER A 113 20.450 23.400 -8.847 1.00 45.51 N ATOM 1786 CA SER A 113 19.272 23.458 -9.695 1.00 33.02 C ATOM 1787 C SER A 113 18.021 23.132 -8.875 1.00 64.03 C ATOM 1788 O SER A 113 18.078 23.070 -7.648 1.00 51.11 O ATOM 1789 CB SER A 113 19.397 22.496 -10.878 1.00 14.01 C ATOM 1790 OG SER A 113 18.208 22.459 -11.663 1.00 62.34 O ATOM 0 H SER A 113 21.033 22.574 -8.982 1.00 45.51 H new ATOM 0 HA SER A 113 19.185 24.469 -10.092 1.00 33.02 H new ATOM 0 HB2 SER A 113 20.236 22.799 -11.505 1.00 14.01 H new ATOM 0 HB3 SER A 113 19.620 21.495 -10.509 1.00 14.01 H new ATOM 0 HG SER A 113 18.323 23.022 -12.457 1.00 62.34 H new ATOM 1796 N THR A 114 16.922 22.932 -9.587 1.00 30.00 N ATOM 1797 CA THR A 114 15.660 22.614 -8.941 1.00 71.20 C ATOM 1798 C THR A 114 14.739 21.868 -9.909 1.00 13.14 C ATOM 1799 O THR A 114 14.553 22.294 -11.047 1.00 54.52 O ATOM 1800 CB THR A 114 15.058 23.917 -8.412 1.00 21.04 C ATOM 1801 OG1 THR A 114 15.996 24.361 -7.435 1.00 41.12 O ATOM 1802 CG2 THR A 114 13.772 23.687 -7.615 1.00 60.01 C ATOM 0 H THR A 114 16.879 22.984 -10.605 1.00 30.00 H new ATOM 0 HA THR A 114 15.806 21.941 -8.096 1.00 71.20 H new ATOM 0 HB THR A 114 14.853 24.587 -9.247 1.00 21.04 H new ATOM 0 HG1 THR A 114 16.494 23.592 -7.086 1.00 41.12 H new ATOM 0 HG21 THR A 114 13.386 24.644 -7.263 1.00 60.01 H new ATOM 0 HG22 THR A 114 13.029 23.209 -8.253 1.00 60.01 H new ATOM 0 HG23 THR A 114 13.984 23.044 -6.761 1.00 60.01 H new ATOM 1810 N VAL A 115 14.187 20.767 -9.420 1.00 14.42 N ATOM 1811 CA VAL A 115 13.289 19.958 -10.227 1.00 43.30 C ATOM 1812 C VAL A 115 11.970 19.765 -9.477 1.00 12.10 C ATOM 1813 O VAL A 115 11.923 19.886 -8.254 1.00 5.42 O ATOM 1814 CB VAL A 115 13.966 18.637 -10.596 1.00 70.45 C ATOM 1815 CG1 VAL A 115 15.401 18.588 -10.067 1.00 54.51 C ATOM 1816 CG2 VAL A 115 13.154 17.444 -10.088 1.00 75.13 C ATOM 0 H VAL A 115 14.344 20.416 -8.475 1.00 14.42 H new ATOM 0 HA VAL A 115 13.058 20.463 -11.165 1.00 43.30 H new ATOM 0 HB VAL A 115 14.008 18.576 -11.683 1.00 70.45 H new ATOM 0 HG11 VAL A 115 15.859 17.638 -10.344 1.00 54.51 H new ATOM 0 HG12 VAL A 115 15.976 19.407 -10.499 1.00 54.51 H new ATOM 0 HG13 VAL A 115 15.392 18.684 -8.981 1.00 54.51 H new ATOM 0 HG21 VAL A 115 13.657 16.517 -10.364 1.00 75.13 H new ATOM 0 HG22 VAL A 115 13.065 17.500 -9.003 1.00 75.13 H new ATOM 0 HG23 VAL A 115 12.160 17.464 -10.535 1.00 75.13 H new ATOM 1826 N SER A 116 10.930 19.468 -10.242 1.00 35.34 N ATOM 1827 CA SER A 116 9.613 19.257 -9.665 1.00 33.44 C ATOM 1828 C SER A 116 8.873 18.161 -10.436 1.00 1.35 C ATOM 1829 O SER A 116 8.502 18.354 -11.592 1.00 63.25 O ATOM 1830 CB SER A 116 8.797 20.551 -9.667 1.00 34.32 C ATOM 1831 OG SER A 116 8.231 20.823 -10.946 1.00 70.01 O ATOM 0 H SER A 116 10.972 19.368 -11.256 1.00 35.34 H new ATOM 0 HA SER A 116 9.740 18.941 -8.629 1.00 33.44 H new ATOM 0 HB2 SER A 116 8.001 20.479 -8.926 1.00 34.32 H new ATOM 0 HB3 SER A 116 9.435 21.383 -9.369 1.00 34.32 H new ATOM 0 HG SER A 116 7.849 20.000 -11.316 1.00 70.01 H new ATOM 1837 N PHE A 117 8.681 17.036 -9.763 1.00 54.02 N ATOM 1838 CA PHE A 117 7.992 15.910 -10.371 1.00 30.24 C ATOM 1839 C PHE A 117 6.492 16.186 -10.494 1.00 21.13 C ATOM 1840 O PHE A 117 5.947 17.011 -9.762 1.00 41.34 O ATOM 1841 CB PHE A 117 8.203 14.707 -9.449 1.00 61.11 C ATOM 1842 CG PHE A 117 9.574 14.044 -9.596 1.00 22.22 C ATOM 1843 CD1 PHE A 117 10.701 14.805 -9.599 1.00 10.44 C ATOM 1844 CD2 PHE A 117 9.666 12.693 -9.723 1.00 61.13 C ATOM 1845 CE1 PHE A 117 11.973 14.190 -9.735 1.00 4.03 C ATOM 1846 CE2 PHE A 117 10.939 12.078 -9.859 1.00 74.44 C ATOM 1847 CZ PHE A 117 12.065 12.839 -9.862 1.00 44.23 C ATOM 0 H PHE A 117 8.990 16.880 -8.804 1.00 54.02 H new ATOM 0 HA PHE A 117 8.384 15.730 -11.372 1.00 30.24 H new ATOM 0 HB2 PHE A 117 8.075 15.028 -8.415 1.00 61.11 H new ATOM 0 HB3 PHE A 117 7.429 13.967 -9.652 1.00 61.11 H new ATOM 0 HD1 PHE A 117 10.628 15.878 -9.498 1.00 10.44 H new ATOM 0 HD2 PHE A 117 8.771 12.088 -9.720 1.00 61.13 H new ATOM 0 HE1 PHE A 117 12.868 14.795 -9.738 1.00 4.03 H new ATOM 0 HE2 PHE A 117 11.012 11.005 -9.960 1.00 74.44 H new ATOM 0 HZ PHE A 117 13.033 12.371 -9.965 1.00 44.23 H new ATOM 1922 N ALA A 123 10.727 20.541 -4.714 1.00 42.35 N ATOM 1923 CA ALA A 123 11.666 21.285 -5.537 1.00 3.02 C ATOM 1924 C ALA A 123 13.069 20.700 -5.357 1.00 52.43 C ATOM 1925 O ALA A 123 13.977 21.388 -4.893 1.00 30.43 O ATOM 1926 CB ALA A 123 11.602 22.769 -5.170 1.00 41.12 C ATOM 0 HA ALA A 123 11.405 21.198 -6.592 1.00 3.02 H new ATOM 0 HB1 ALA A 123 12.306 23.327 -5.787 1.00 41.12 H new ATOM 0 HB2 ALA A 123 10.593 23.143 -5.342 1.00 41.12 H new ATOM 0 HB3 ALA A 123 11.861 22.895 -4.119 1.00 41.12 H new ATOM 1932 N TYR A 124 13.201 19.437 -5.735 1.00 44.42 N ATOM 1933 CA TYR A 124 14.478 18.752 -5.622 1.00 11.52 C ATOM 1934 C TYR A 124 15.622 19.640 -6.116 1.00 61.34 C ATOM 1935 O TYR A 124 15.737 19.901 -7.313 1.00 11.53 O ATOM 1936 CB TYR A 124 14.377 17.521 -6.524 1.00 21.22 C ATOM 1937 CG TYR A 124 13.324 16.505 -6.075 1.00 3.40 C ATOM 1938 CD1 TYR A 124 12.598 16.728 -4.922 1.00 65.42 C ATOM 1939 CD2 TYR A 124 13.100 15.367 -6.823 1.00 4.33 C ATOM 1940 CE1 TYR A 124 11.608 15.772 -4.500 1.00 34.12 C ATOM 1941 CE2 TYR A 124 12.110 14.412 -6.400 1.00 74.43 C ATOM 1942 CZ TYR A 124 11.412 14.661 -5.260 1.00 1.13 C ATOM 1943 OH TYR A 124 10.476 13.758 -4.861 1.00 3.53 O ATOM 0 H TYR A 124 12.445 18.870 -6.120 1.00 44.42 H new ATOM 0 HA TYR A 124 14.685 18.493 -4.583 1.00 11.52 H new ATOM 0 HB2 TYR A 124 14.145 17.845 -7.539 1.00 21.22 H new ATOM 0 HB3 TYR A 124 15.349 17.029 -6.561 1.00 21.22 H new ATOM 0 HD1 TYR A 124 12.773 17.619 -4.337 1.00 65.42 H new ATOM 0 HD2 TYR A 124 13.667 15.193 -7.725 1.00 4.33 H new ATOM 0 HE1 TYR A 124 11.034 15.933 -3.600 1.00 34.12 H new ATOM 0 HE2 TYR A 124 11.925 13.517 -6.976 1.00 74.43 H new ATOM 0 HH TYR A 124 9.898 14.164 -4.182 1.00 3.53 H new ATOM 1953 N THR A 125 16.440 20.078 -5.170 1.00 52.05 N ATOM 1954 CA THR A 125 17.571 20.930 -5.495 1.00 51.40 C ATOM 1955 C THR A 125 18.870 20.122 -5.477 1.00 10.41 C ATOM 1956 O THR A 125 19.431 19.866 -4.413 1.00 1.23 O ATOM 1957 CB THR A 125 17.573 22.106 -4.516 1.00 50.32 C ATOM 1958 OG1 THR A 125 16.671 23.044 -5.098 1.00 22.21 O ATOM 1959 CG2 THR A 125 18.913 22.845 -4.491 1.00 31.43 C ATOM 0 H THR A 125 16.342 19.859 -4.179 1.00 52.05 H new ATOM 0 HA THR A 125 17.488 21.330 -6.506 1.00 51.40 H new ATOM 0 HB THR A 125 17.339 21.745 -3.515 1.00 50.32 H new ATOM 0 HG1 THR A 125 15.767 22.666 -5.108 1.00 22.21 H new ATOM 0 HG21 THR A 125 18.860 23.670 -3.780 1.00 31.43 H new ATOM 0 HG22 THR A 125 19.703 22.157 -4.190 1.00 31.43 H new ATOM 0 HG23 THR A 125 19.132 23.236 -5.485 1.00 31.43 H new ATOM 1967 N LEU A 126 19.310 19.743 -6.668 1.00 2.54 N ATOM 1968 CA LEU A 126 20.533 18.970 -6.802 1.00 72.21 C ATOM 1969 C LEU A 126 21.732 19.857 -6.463 1.00 24.34 C ATOM 1970 O LEU A 126 22.084 20.752 -7.229 1.00 55.23 O ATOM 1971 CB LEU A 126 20.613 18.332 -8.190 1.00 61.43 C ATOM 1972 CG LEU A 126 21.940 17.655 -8.542 1.00 52.40 C ATOM 1973 CD1 LEU A 126 22.932 18.664 -9.123 1.00 4.42 C ATOM 1974 CD2 LEU A 126 22.516 16.916 -7.333 1.00 34.22 C ATOM 0 H LEU A 126 18.842 19.957 -7.549 1.00 2.54 H new ATOM 0 HA LEU A 126 20.540 18.141 -6.094 1.00 72.21 H new ATOM 0 HB2 LEU A 126 19.817 17.592 -8.274 1.00 61.43 H new ATOM 0 HB3 LEU A 126 20.412 19.103 -8.934 1.00 61.43 H new ATOM 0 HG LEU A 126 21.749 16.909 -9.314 1.00 52.40 H new ATOM 0 HD11 LEU A 126 23.867 18.158 -9.365 1.00 4.42 H new ATOM 0 HD12 LEU A 126 22.514 19.106 -10.028 1.00 4.42 H new ATOM 0 HD13 LEU A 126 23.123 19.449 -8.391 1.00 4.42 H new ATOM 0 HD21 LEU A 126 23.459 16.444 -7.610 1.00 34.22 H new ATOM 0 HD22 LEU A 126 22.689 17.624 -6.523 1.00 34.22 H new ATOM 0 HD23 LEU A 126 21.811 16.153 -7.003 1.00 34.22 H new ATOM 1986 N ARG A 127 22.328 19.577 -5.313 1.00 22.41 N ATOM 1987 CA ARG A 127 23.481 20.338 -4.863 1.00 21.25 C ATOM 1988 C ARG A 127 24.775 19.604 -5.221 1.00 32.30 C ATOM 1989 O ARG A 127 24.745 18.588 -5.914 1.00 33.11 O ATOM 1990 CB ARG A 127 23.434 20.565 -3.350 1.00 42.43 C ATOM 1991 CG ARG A 127 23.630 22.045 -3.012 1.00 72.32 C ATOM 1992 CD ARG A 127 22.398 22.864 -3.402 1.00 72.15 C ATOM 1993 NE ARG A 127 21.325 22.672 -2.402 1.00 35.13 N ATOM 1994 CZ ARG A 127 21.228 23.372 -1.252 1.00 1.14 C ATOM 1995 NH1 ARG A 127 22.142 24.318 -0.947 1.00 14.13 N ATOM 1996 NH2 ARG A 127 20.227 23.118 -0.429 1.00 62.34 N ATOM 0 H ARG A 127 22.034 18.834 -4.680 1.00 22.41 H new ATOM 0 HA ARG A 127 23.457 21.305 -5.366 1.00 21.25 H new ATOM 0 HB2 ARG A 127 22.477 20.222 -2.957 1.00 42.43 H new ATOM 0 HB3 ARG A 127 24.209 19.972 -2.865 1.00 42.43 H new ATOM 0 HG2 ARG A 127 23.822 22.156 -1.945 1.00 72.32 H new ATOM 0 HG3 ARG A 127 24.506 22.428 -3.535 1.00 72.32 H new ATOM 0 HD2 ARG A 127 22.659 23.920 -3.469 1.00 72.15 H new ATOM 0 HD3 ARG A 127 22.046 22.560 -4.388 1.00 72.15 H new ATOM 0 HE ARG A 127 20.614 21.966 -2.594 1.00 35.13 H new ATOM 0 HH11 ARG A 127 22.913 24.508 -1.588 1.00 14.13 H new ATOM 0 HH12 ARG A 127 22.062 24.843 -0.076 1.00 14.13 H new ATOM 0 HH21 ARG A 127 19.541 22.401 -0.666 1.00 62.34 H new ATOM 0 HH22 ARG A 127 20.140 23.638 0.444 1.00 62.34 H new ATOM 2009 N GLU A 128 25.880 20.147 -4.733 1.00 24.42 N ATOM 2010 CA GLU A 128 27.182 19.556 -4.993 1.00 62.10 C ATOM 2011 C GLU A 128 28.165 19.926 -3.880 1.00 71.40 C ATOM 2012 O GLU A 128 28.629 21.062 -3.809 1.00 42.44 O ATOM 2013 CB GLU A 128 27.716 19.986 -6.361 1.00 10.12 C ATOM 2014 CG GLU A 128 29.222 19.738 -6.465 1.00 21.54 C ATOM 2015 CD GLU A 128 30.012 20.989 -6.078 1.00 3.33 C ATOM 2016 OE1 GLU A 128 29.668 22.098 -6.513 1.00 5.53 O ATOM 2017 OE2 GLU A 128 31.016 20.780 -5.295 1.00 10.22 O ATOM 0 H GLU A 128 25.901 20.990 -4.159 1.00 24.42 H new ATOM 0 HA GLU A 128 27.071 18.472 -5.007 1.00 62.10 H new ATOM 0 HB2 GLU A 128 27.198 19.436 -7.147 1.00 10.12 H new ATOM 0 HB3 GLU A 128 27.506 21.044 -6.521 1.00 10.12 H new ATOM 0 HG2 GLU A 128 29.504 18.910 -5.814 1.00 21.54 H new ATOM 0 HG3 GLU A 128 29.476 19.444 -7.483 1.00 21.54 H new ATOM 2025 N LYS A 129 28.453 18.944 -3.038 1.00 73.23 N ATOM 2026 CA LYS A 129 29.372 19.152 -1.932 1.00 73.42 C ATOM 2027 C LYS A 129 30.503 20.078 -2.382 1.00 11.41 C ATOM 2028 O LYS A 129 31.462 19.633 -3.010 1.00 42.41 O ATOM 2029 CB LYS A 129 29.858 17.810 -1.381 1.00 24.04 C ATOM 2030 CG LYS A 129 28.694 16.995 -0.815 1.00 73.32 C ATOM 2031 CD LYS A 129 29.203 15.808 0.006 1.00 54.12 C ATOM 2032 CE LYS A 129 30.248 16.257 1.029 1.00 41.25 C ATOM 2033 NZ LYS A 129 30.281 15.327 2.179 1.00 72.40 N ATOM 0 H LYS A 129 28.066 18.002 -3.100 1.00 73.23 H new ATOM 0 HA LYS A 129 28.866 19.647 -1.103 1.00 73.42 H new ATOM 0 HB2 LYS A 129 30.351 17.245 -2.172 1.00 24.04 H new ATOM 0 HB3 LYS A 129 30.600 17.980 -0.601 1.00 24.04 H new ATOM 0 HG2 LYS A 129 28.069 17.633 -0.190 1.00 73.32 H new ATOM 0 HG3 LYS A 129 28.067 16.635 -1.631 1.00 73.32 H new ATOM 0 HD2 LYS A 129 28.368 15.331 0.519 1.00 54.12 H new ATOM 0 HD3 LYS A 129 29.637 15.061 -0.659 1.00 54.12 H new ATOM 0 HE2 LYS A 129 31.231 16.299 0.559 1.00 41.25 H new ATOM 0 HE3 LYS A 129 30.017 17.264 1.375 1.00 41.25 H new ATOM 0 HZ1 LYS A 129 30.996 15.647 2.864 1.00 72.40 H new ATOM 0 HZ2 LYS A 129 29.347 15.308 2.637 1.00 72.40 H new ATOM 0 HZ3 LYS A 129 30.523 14.372 1.846 1.00 72.40 H new ATOM 2046 N PRO A 130 30.349 21.384 -2.034 1.00 0.03 N ATOM 2047 CA PRO A 130 31.346 22.377 -2.395 1.00 0.44 C ATOM 2048 C PRO A 130 32.589 22.253 -1.512 1.00 23.53 C ATOM 2049 O PRO A 130 32.800 21.223 -0.872 1.00 11.32 O ATOM 2050 CB PRO A 130 30.641 23.715 -2.242 1.00 43.54 C ATOM 2051 CG PRO A 130 29.431 23.451 -1.361 1.00 43.40 C ATOM 2052 CD PRO A 130 29.226 21.947 -1.290 1.00 10.12 C ATOM 0 HA PRO A 130 31.717 22.250 -3.412 1.00 0.44 H new ATOM 0 HB2 PRO A 130 31.301 24.454 -1.788 1.00 43.54 H new ATOM 0 HB3 PRO A 130 30.339 24.110 -3.212 1.00 43.54 H new ATOM 0 HG2 PRO A 130 29.588 23.862 -0.364 1.00 43.40 H new ATOM 0 HG3 PRO A 130 28.546 23.938 -1.771 1.00 43.40 H new ATOM 0 HD2 PRO A 130 29.219 21.597 -0.258 1.00 10.12 H new ATOM 0 HD3 PRO A 130 28.273 21.656 -1.732 1.00 10.12 H new