USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 88 SER OG : rot 42:sc= -1.8! USER MOD Set 1.2: A 90 LYS NZ :NH3+ -162:sc= -1.55 (180deg=-2.01) USER MOD Set 2.1: A 59 SER OG : rot -110:sc= -1.15! USER MOD Set 2.2: A 80 GLN : amide:sc= -0.14 X(o=-1.3,f=-1.2) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -159:sc= -0.387! (180deg=0.526) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0753) USER MOD Single : A 72 SER OG : rot 180:sc= -0.201 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.527 USER MOD Single : A 77 TYR OH : rot -44:sc= 0.606 USER MOD Single : A 85 TYR OH : rot -30:sc= -0.343 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -1.09 F(o=-2.8!,f=-1.1) USER MOD Single : A 99 SER OG : rot 90:sc= 0.523 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 8:sc= -0.235 USER MOD Single : B 12 SER OG : rot 180:sc=-0.00852 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 114.657 6.963 28.342 1.00 2.21 N ATOM 228 CA GLY A 16 113.181 7.159 28.291 1.00 2.06 C ATOM 229 C GLY A 16 112.521 6.071 27.439 1.00 1.98 C ATOM 230 O GLY A 16 112.350 6.226 26.248 1.00 2.44 O ATOM 0 HA2 GLY A 16 112.771 7.136 29.301 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.953 8.141 27.876 1.00 2.06 H new ATOM 234 N GLY A 17 112.127 4.983 28.050 1.00 1.81 N ATOM 235 CA GLY A 17 111.451 3.886 27.295 1.00 1.74 C ATOM 236 C GLY A 17 112.396 3.267 26.259 1.00 1.78 C ATOM 237 O GLY A 17 112.500 2.065 26.145 1.00 1.80 O ATOM 0 H GLY A 17 112.246 4.807 29.048 1.00 1.81 H new ATOM 0 HA2 GLY A 17 111.113 3.117 27.989 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.564 4.276 26.796 1.00 1.74 H new ATOM 241 N ALA A 18 113.073 4.073 25.494 1.00 1.84 N ATOM 242 CA ALA A 18 114.004 3.526 24.458 1.00 1.96 C ATOM 243 C ALA A 18 114.867 2.415 25.062 1.00 2.07 C ATOM 244 O ALA A 18 115.544 1.694 24.356 1.00 2.21 O ATOM 245 CB ALA A 18 114.902 4.656 23.930 1.00 2.09 C ATOM 0 H ALA A 18 113.025 5.091 25.538 1.00 1.84 H new ATOM 0 HA ALA A 18 113.422 3.111 23.635 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.581 4.259 23.175 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.283 5.436 23.487 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.480 5.076 24.753 1.00 2.09 H new ATOM 251 N HIS A 19 114.849 2.262 26.356 1.00 2.06 N ATOM 252 CA HIS A 19 115.664 1.195 26.988 1.00 2.21 C ATOM 253 C HIS A 19 114.887 -0.131 26.962 1.00 2.15 C ATOM 254 O HIS A 19 115.413 -1.158 26.583 1.00 2.33 O ATOM 255 CB HIS A 19 115.977 1.597 28.434 1.00 2.33 C ATOM 256 CG HIS A 19 116.571 0.432 29.180 1.00 2.51 C ATOM 257 ND1 HIS A 19 117.689 -0.247 28.720 1.00 2.79 N ATOM 258 CD2 HIS A 19 116.214 -0.186 30.353 1.00 2.86 C ATOM 259 CE1 HIS A 19 117.962 -1.224 29.605 1.00 2.87 C ATOM 260 NE2 HIS A 19 117.094 -1.231 30.619 1.00 2.87 N ATOM 0 H HIS A 19 114.303 2.832 27.002 1.00 2.06 H new ATOM 0 HA HIS A 19 116.597 1.065 26.439 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.672 2.437 28.443 1.00 2.33 H new ATOM 0 HB3 HIS A 19 115.067 1.931 28.932 1.00 2.33 H new ATOM 0 HD2 HIS A 19 115.377 0.096 30.975 1.00 2.86 H new ATOM 0 HE1 HIS A 19 118.784 -1.918 29.506 1.00 2.87 H new ATOM 0 HE2 HIS A 19 117.079 -1.866 31.417 1.00 2.87 H new ATOM 268 N LYS A 20 113.643 -0.120 27.369 1.00 2.02 N ATOM 269 CA LYS A 20 112.846 -1.388 27.371 1.00 2.01 C ATOM 270 C LYS A 20 112.266 -1.650 25.978 1.00 1.90 C ATOM 271 O LYS A 20 111.637 -2.662 25.743 1.00 1.96 O ATOM 272 CB LYS A 20 111.704 -1.295 28.402 1.00 1.99 C ATOM 273 CG LYS A 20 110.855 -0.013 28.191 1.00 1.81 C ATOM 274 CD LYS A 20 109.601 -0.322 27.351 1.00 1.74 C ATOM 275 CE LYS A 20 108.860 0.978 27.020 1.00 1.58 C ATOM 276 NZ LYS A 20 107.941 0.749 25.872 1.00 1.94 N ATOM 0 H LYS A 20 113.145 0.707 27.699 1.00 2.02 H new ATOM 0 HA LYS A 20 113.505 -2.213 27.642 1.00 2.01 H new ATOM 0 HB2 LYS A 20 111.065 -2.174 28.320 1.00 1.99 H new ATOM 0 HB3 LYS A 20 112.120 -1.296 29.409 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.560 0.397 29.157 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.455 0.748 27.692 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.886 -0.832 26.431 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.943 -0.996 27.899 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.296 1.318 27.888 1.00 1.58 H new ATOM 0 HE3 LYS A 20 109.575 1.764 26.776 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 107.714 1.659 25.422 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 108.401 0.125 25.179 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 107.065 0.303 26.212 1.00 1.94 H new ATOM 290 N VAL A 21 112.465 -0.753 25.051 1.00 1.80 N ATOM 291 CA VAL A 21 111.915 -0.971 23.681 1.00 1.71 C ATOM 292 C VAL A 21 112.800 -1.961 22.927 1.00 1.76 C ATOM 293 O VAL A 21 113.941 -1.685 22.615 1.00 1.81 O ATOM 294 CB VAL A 21 111.863 0.363 22.928 1.00 1.64 C ATOM 295 CG1 VAL A 21 111.502 0.117 21.460 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.802 1.265 23.563 1.00 1.75 C ATOM 0 H VAL A 21 112.982 0.117 25.181 1.00 1.80 H new ATOM 0 HA VAL A 21 110.906 -1.377 23.755 1.00 1.71 H new ATOM 0 HB VAL A 21 112.839 0.845 22.985 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.466 1.069 20.930 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.255 -0.525 21.003 1.00 2.07 H new ATOM 0 HG13 VAL A 21 110.527 -0.368 21.401 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.764 2.214 23.028 1.00 1.75 H new ATOM 0 HG22 VAL A 21 109.829 0.777 23.506 1.00 1.75 H new ATOM 0 HG23 VAL A 21 111.057 1.447 24.607 1.00 1.75 H new ATOM 306 N ARG A 22 112.272 -3.119 22.637 1.00 1.78 N ATOM 307 CA ARG A 22 113.056 -4.156 21.905 1.00 1.85 C ATOM 308 C ARG A 22 112.662 -4.148 20.428 1.00 1.74 C ATOM 309 O ARG A 22 111.502 -4.038 20.081 1.00 1.66 O ATOM 310 CB ARG A 22 112.744 -5.525 22.512 1.00 1.96 C ATOM 311 CG ARG A 22 113.444 -6.643 21.720 1.00 2.03 C ATOM 312 CD ARG A 22 114.959 -6.406 21.698 1.00 2.18 C ATOM 313 NE ARG A 22 115.654 -7.700 21.447 1.00 2.75 N ATOM 314 CZ ARG A 22 116.910 -7.711 21.096 1.00 3.10 C ATOM 315 NH1 ARG A 22 117.564 -6.588 20.974 1.00 3.50 N ATOM 316 NH2 ARG A 22 117.514 -8.845 20.869 1.00 3.33 N ATOM 0 H ARG A 22 111.320 -3.394 22.879 1.00 1.78 H new ATOM 0 HA ARG A 22 114.122 -3.946 21.990 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.070 -5.550 23.552 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.667 -5.692 22.511 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.226 -7.611 22.172 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.058 -6.673 20.701 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.215 -5.685 20.921 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.287 -5.982 22.647 1.00 2.18 H new ATOM 0 HE ARG A 22 115.146 -8.579 21.550 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.093 -5.701 21.153 1.00 3.50 H new ATOM 0 HH12 ARG A 22 118.546 -6.597 20.699 1.00 3.50 H new ATOM 0 HH21 ARG A 22 117.004 -9.723 20.966 1.00 3.33 H new ATOM 0 HH22 ARG A 22 118.496 -8.854 20.594 1.00 3.33 H new ATOM 330 N ALA A 23 113.624 -4.279 19.557 1.00 1.77 N ATOM 331 CA ALA A 23 113.330 -4.297 18.096 1.00 1.68 C ATOM 332 C ALA A 23 114.344 -5.213 17.411 1.00 1.77 C ATOM 333 O ALA A 23 115.525 -4.931 17.380 1.00 1.83 O ATOM 334 CB ALA A 23 113.448 -2.878 17.532 1.00 1.59 C ATOM 0 H ALA A 23 114.611 -4.375 19.797 1.00 1.77 H new ATOM 0 HA ALA A 23 112.319 -4.663 17.919 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.233 -2.892 16.464 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.736 -2.225 18.037 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.459 -2.505 17.694 1.00 1.59 H new ATOM 340 N GLY A 24 113.899 -6.317 16.875 1.00 1.80 N ATOM 341 CA GLY A 24 114.852 -7.252 16.211 1.00 1.90 C ATOM 342 C GLY A 24 114.107 -8.156 15.226 1.00 1.86 C ATOM 343 O GLY A 24 113.122 -8.784 15.564 1.00 1.86 O ATOM 0 H GLY A 24 112.922 -6.611 16.868 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.621 -6.686 15.686 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.359 -7.859 16.961 1.00 1.90 H new ATOM 347 N GLY A 25 114.575 -8.231 14.009 1.00 1.85 N ATOM 348 CA GLY A 25 113.903 -9.100 13.000 1.00 1.84 C ATOM 349 C GLY A 25 114.656 -9.021 11.670 1.00 1.84 C ATOM 350 O GLY A 25 115.646 -8.327 11.545 1.00 1.84 O ATOM 0 H GLY A 25 115.395 -7.727 13.670 1.00 1.85 H new ATOM 0 HA2 GLY A 25 113.876 -10.131 13.353 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.869 -8.783 12.863 1.00 1.84 H new ATOM 354 N THR A 26 114.192 -9.723 10.671 1.00 1.86 N ATOM 355 CA THR A 26 114.878 -9.684 9.348 1.00 1.87 C ATOM 356 C THR A 26 114.530 -8.374 8.638 1.00 1.75 C ATOM 357 O THR A 26 115.242 -7.918 7.762 1.00 1.76 O ATOM 358 CB THR A 26 114.413 -10.867 8.495 1.00 1.96 C ATOM 359 OG1 THR A 26 114.397 -12.044 9.290 1.00 2.31 O ATOM 360 CG2 THR A 26 115.368 -11.058 7.316 1.00 2.29 C ATOM 0 H THR A 26 113.367 -10.322 10.714 1.00 1.86 H new ATOM 0 HA THR A 26 115.956 -9.746 9.494 1.00 1.87 H new ATOM 0 HB THR A 26 113.410 -10.669 8.117 1.00 1.96 H new ATOM 0 HG1 THR A 26 114.098 -12.802 8.746 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.035 -11.901 6.711 1.00 2.29 H new ATOM 0 HG22 THR A 26 115.378 -10.155 6.706 1.00 2.29 H new ATOM 0 HG23 THR A 26 116.373 -11.255 7.690 1.00 2.29 H new ATOM 368 N GLY A 27 113.441 -7.762 9.017 1.00 1.64 N ATOM 369 CA GLY A 27 113.044 -6.480 8.375 1.00 1.54 C ATOM 370 C GLY A 27 114.008 -5.387 8.822 1.00 1.50 C ATOM 371 O GLY A 27 114.193 -4.390 8.153 1.00 1.46 O ATOM 0 H GLY A 27 112.809 -8.096 9.745 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.064 -6.580 7.290 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.023 -6.219 8.653 1.00 1.54 H new ATOM 375 N LEU A 28 114.632 -5.575 9.952 1.00 1.57 N ATOM 376 CA LEU A 28 115.597 -4.561 10.455 1.00 1.59 C ATOM 377 C LEU A 28 116.961 -4.826 9.820 1.00 1.69 C ATOM 378 O LEU A 28 117.991 -4.535 10.394 1.00 1.83 O ATOM 379 CB LEU A 28 115.712 -4.682 11.979 1.00 1.65 C ATOM 380 CG LEU A 28 114.459 -4.099 12.658 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.359 -4.636 14.090 1.00 1.66 C ATOM 382 CD2 LEU A 28 114.532 -2.562 12.697 1.00 1.61 C ATOM 0 H LEU A 28 114.513 -6.392 10.551 1.00 1.57 H new ATOM 0 HA LEU A 28 115.255 -3.559 10.197 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.832 -5.728 12.259 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.601 -4.155 12.326 1.00 1.65 H new ATOM 0 HG LEU A 28 113.580 -4.397 12.085 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.472 -4.224 14.572 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.287 -5.723 14.067 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.246 -4.343 14.651 1.00 1.66 H new ATOM 0 HD21 LEU A 28 113.638 -2.167 13.180 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.414 -2.254 13.258 1.00 1.61 H new ATOM 0 HD23 LEU A 28 114.596 -2.175 11.680 1.00 1.61 H new ATOM 394 N GLU A 29 116.972 -5.386 8.636 1.00 1.73 N ATOM 395 CA GLU A 29 118.267 -5.686 7.949 1.00 1.84 C ATOM 396 C GLU A 29 118.160 -5.341 6.461 1.00 1.75 C ATOM 397 O GLU A 29 118.853 -4.472 5.969 1.00 1.78 O ATOM 398 CB GLU A 29 118.590 -7.174 8.103 1.00 2.00 C ATOM 399 CG GLU A 29 118.334 -7.609 9.547 1.00 2.06 C ATOM 400 CD GLU A 29 118.901 -9.012 9.765 1.00 1.98 C ATOM 401 OE1 GLU A 29 119.958 -9.294 9.224 1.00 2.34 O ATOM 402 OE2 GLU A 29 118.270 -9.783 10.469 1.00 2.21 O ATOM 0 H GLU A 29 116.137 -5.649 8.113 1.00 1.73 H new ATOM 0 HA GLU A 29 119.059 -5.088 8.400 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.976 -7.762 7.421 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.630 -7.360 7.836 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.799 -6.906 10.238 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.264 -7.601 9.756 1.00 2.06 H new ATOM 409 N ARG A 30 117.312 -6.020 5.729 1.00 1.69 N ATOM 410 CA ARG A 30 117.189 -5.725 4.265 1.00 1.64 C ATOM 411 C ARG A 30 115.769 -6.034 3.780 1.00 1.59 C ATOM 412 O ARG A 30 115.006 -6.708 4.443 1.00 1.61 O ATOM 413 CB ARG A 30 118.176 -6.603 3.486 1.00 1.75 C ATOM 414 CG ARG A 30 119.616 -6.230 3.849 1.00 2.21 C ATOM 415 CD ARG A 30 120.581 -6.967 2.920 1.00 2.47 C ATOM 416 NE ARG A 30 120.548 -8.424 3.231 1.00 2.96 N ATOM 417 CZ ARG A 30 121.061 -9.284 2.394 1.00 3.36 C ATOM 418 NH1 ARG A 30 121.610 -8.869 1.286 1.00 3.77 N ATOM 419 NH2 ARG A 30 121.025 -10.560 2.667 1.00 3.76 N ATOM 0 H ARG A 30 116.703 -6.761 6.077 1.00 1.69 H new ATOM 0 HA ARG A 30 117.408 -4.670 4.099 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.997 -7.654 3.713 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.019 -6.477 2.415 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.758 -5.153 3.759 1.00 2.21 H new ATOM 0 HG3 ARG A 30 119.821 -6.493 4.887 1.00 2.21 H new ATOM 0 HD2 ARG A 30 120.302 -6.799 1.880 1.00 2.47 H new ATOM 0 HD3 ARG A 30 121.592 -6.579 3.045 1.00 2.47 H new ATOM 0 HE ARG A 30 120.124 -8.750 4.100 1.00 2.96 H new ATOM 0 HH11 ARG A 30 121.639 -7.872 1.073 1.00 3.77 H new ATOM 0 HH12 ARG A 30 122.011 -9.542 0.632 1.00 3.77 H new ATOM 0 HH21 ARG A 30 120.596 -10.884 3.534 1.00 3.76 H new ATOM 0 HH22 ARG A 30 121.426 -11.233 2.013 1.00 3.76 H new ATOM 433 N GLY A 31 115.420 -5.558 2.608 1.00 1.54 N ATOM 434 CA GLY A 31 114.065 -5.828 2.041 1.00 1.52 C ATOM 435 C GLY A 31 114.240 -6.115 0.553 1.00 1.55 C ATOM 436 O GLY A 31 115.318 -5.947 0.019 1.00 1.57 O ATOM 0 H GLY A 31 116.024 -4.988 2.016 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.601 -6.677 2.543 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.409 -4.971 2.192 1.00 1.52 H new ATOM 440 N VAL A 32 113.211 -6.565 -0.125 1.00 1.56 N ATOM 441 CA VAL A 32 113.356 -6.878 -1.586 1.00 1.60 C ATOM 442 C VAL A 32 112.185 -6.296 -2.391 1.00 1.53 C ATOM 443 O VAL A 32 111.087 -6.127 -1.898 1.00 1.50 O ATOM 444 CB VAL A 32 113.422 -8.404 -1.749 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.236 -8.800 -3.218 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.783 -8.914 -1.260 1.00 1.83 C ATOM 0 H VAL A 32 112.283 -6.729 0.265 1.00 1.56 H new ATOM 0 HA VAL A 32 114.269 -6.424 -1.970 1.00 1.60 H new ATOM 0 HB VAL A 32 112.621 -8.850 -1.159 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.286 -9.885 -3.312 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.265 -8.450 -3.569 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.024 -8.347 -3.820 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.829 -9.997 -1.376 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.577 -8.452 -1.847 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.912 -8.656 -0.209 1.00 1.83 H new ATOM 456 N ALA A 33 112.444 -5.979 -3.634 1.00 1.51 N ATOM 457 CA ALA A 33 111.397 -5.388 -4.526 1.00 1.46 C ATOM 458 C ALA A 33 110.021 -6.049 -4.334 1.00 1.53 C ATOM 459 O ALA A 33 109.810 -7.198 -4.665 1.00 1.64 O ATOM 460 CB ALA A 33 111.849 -5.550 -5.997 1.00 1.51 C ATOM 0 H ALA A 33 113.354 -6.107 -4.078 1.00 1.51 H new ATOM 0 HA ALA A 33 111.287 -4.335 -4.265 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.095 -5.123 -6.658 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.797 -5.032 -6.146 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.974 -6.609 -6.225 1.00 1.51 H new ATOM 466 N GLY A 34 109.080 -5.288 -3.849 1.00 1.46 N ATOM 467 CA GLY A 34 107.690 -5.789 -3.675 1.00 1.52 C ATOM 468 C GLY A 34 107.667 -7.084 -2.875 1.00 1.62 C ATOM 469 O GLY A 34 107.037 -8.046 -3.271 1.00 1.73 O ATOM 0 H GLY A 34 109.220 -4.320 -3.560 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.090 -5.034 -3.167 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.235 -5.954 -4.652 1.00 1.52 H new ATOM 473 N VAL A 35 108.330 -7.118 -1.747 1.00 1.59 N ATOM 474 CA VAL A 35 108.333 -8.353 -0.903 1.00 1.69 C ATOM 475 C VAL A 35 107.904 -7.966 0.534 1.00 1.61 C ATOM 476 O VAL A 35 108.517 -7.093 1.115 1.00 1.55 O ATOM 477 CB VAL A 35 109.754 -8.941 -0.888 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.910 -9.938 0.267 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.012 -9.666 -2.214 1.00 2.19 C ATOM 0 H VAL A 35 108.872 -6.340 -1.372 1.00 1.59 H new ATOM 0 HA VAL A 35 107.642 -9.095 -1.303 1.00 1.69 H new ATOM 0 HB VAL A 35 110.470 -8.130 -0.755 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.921 -10.344 0.263 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.727 -9.430 1.214 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.192 -10.750 0.147 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.018 -10.085 -2.210 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.285 -10.469 -2.337 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.917 -8.960 -3.039 1.00 2.19 H new ATOM 489 N PRO A 36 106.877 -8.600 1.093 1.00 1.67 N ATOM 490 CA PRO A 36 106.443 -8.255 2.459 1.00 1.61 C ATOM 491 C PRO A 36 107.607 -8.456 3.437 1.00 1.61 C ATOM 492 O PRO A 36 108.003 -9.568 3.726 1.00 1.74 O ATOM 493 CB PRO A 36 105.267 -9.213 2.769 1.00 1.76 C ATOM 494 CG PRO A 36 105.049 -10.106 1.514 1.00 1.96 C ATOM 495 CD PRO A 36 106.082 -9.675 0.449 1.00 1.85 C ATOM 0 HA PRO A 36 106.132 -7.214 2.553 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.492 -9.826 3.642 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.363 -8.649 3.000 1.00 1.76 H new ATOM 0 HG2 PRO A 36 105.176 -11.159 1.766 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.035 -9.990 1.133 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.716 -10.511 0.154 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.590 -9.314 -0.454 1.00 1.85 H new ATOM 503 N ALA A 37 108.145 -7.381 3.956 1.00 1.53 N ATOM 504 CA ALA A 37 109.276 -7.484 4.929 1.00 1.62 C ATOM 505 C ALA A 37 108.742 -7.121 6.309 1.00 1.53 C ATOM 506 O ALA A 37 107.915 -6.242 6.443 1.00 1.52 O ATOM 507 CB ALA A 37 110.381 -6.501 4.534 1.00 1.69 C ATOM 0 H ALA A 37 107.847 -6.429 3.746 1.00 1.53 H new ATOM 0 HA ALA A 37 109.686 -8.494 4.932 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.205 -6.576 5.243 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.740 -6.741 3.533 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.985 -5.485 4.544 1.00 1.69 H new ATOM 513 N GLU A 38 109.186 -7.786 7.341 1.00 1.50 N ATOM 514 CA GLU A 38 108.662 -7.451 8.696 1.00 1.45 C ATOM 515 C GLU A 38 109.694 -7.740 9.772 1.00 1.50 C ATOM 516 O GLU A 38 110.704 -8.379 9.551 1.00 1.60 O ATOM 517 CB GLU A 38 107.391 -8.275 8.979 1.00 1.54 C ATOM 518 CG GLU A 38 107.755 -9.708 9.397 1.00 1.68 C ATOM 519 CD GLU A 38 106.542 -10.625 9.215 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.182 -10.879 8.077 1.00 2.23 O ATOM 521 OE2 GLU A 38 105.995 -11.056 10.216 1.00 2.12 O ATOM 0 H GLU A 38 109.878 -8.535 7.307 1.00 1.50 H new ATOM 0 HA GLU A 38 108.431 -6.386 8.715 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.810 -7.797 9.768 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.762 -8.299 8.089 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.590 -10.071 8.797 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.080 -9.722 10.437 1.00 1.68 H new ATOM 528 N PHE A 39 109.406 -7.284 10.949 1.00 1.46 N ATOM 529 CA PHE A 39 110.306 -7.522 12.100 1.00 1.54 C ATOM 530 C PHE A 39 109.462 -7.464 13.364 1.00 1.53 C ATOM 531 O PHE A 39 108.285 -7.166 13.320 1.00 1.50 O ATOM 532 CB PHE A 39 111.429 -6.476 12.151 1.00 1.54 C ATOM 533 CG PHE A 39 110.859 -5.075 12.149 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.239 -4.577 11.001 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.968 -4.269 13.290 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.723 -3.276 10.990 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.455 -2.969 13.279 1.00 1.37 C ATOM 538 CZ PHE A 39 109.831 -2.472 12.130 1.00 1.30 C ATOM 0 H PHE A 39 108.568 -6.745 11.167 1.00 1.46 H new ATOM 0 HA PHE A 39 110.784 -8.497 12.004 1.00 1.54 H new ATOM 0 HB2 PHE A 39 112.032 -6.627 13.046 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.091 -6.605 11.295 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.158 -5.197 10.120 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.448 -4.652 14.178 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.242 -2.893 10.102 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.540 -2.348 14.158 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.433 -1.468 12.123 1.00 1.30 H new ATOM 548 N SER A 40 110.042 -7.771 14.483 1.00 1.60 N ATOM 549 CA SER A 40 109.269 -7.766 15.763 1.00 1.61 C ATOM 550 C SER A 40 109.563 -6.493 16.561 1.00 1.59 C ATOM 551 O SER A 40 110.638 -5.932 16.487 1.00 1.64 O ATOM 552 CB SER A 40 109.676 -8.982 16.596 1.00 1.73 C ATOM 553 OG SER A 40 109.296 -10.169 15.912 1.00 2.37 O ATOM 0 H SER A 40 111.025 -8.028 14.574 1.00 1.60 H new ATOM 0 HA SER A 40 108.204 -7.802 15.534 1.00 1.61 H new ATOM 0 HB2 SER A 40 110.752 -8.976 16.767 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.197 -8.943 17.575 1.00 1.73 H new ATOM 0 HG SER A 40 109.557 -10.950 16.443 1.00 2.37 H new ATOM 559 N ILE A 41 108.611 -6.049 17.341 1.00 1.54 N ATOM 560 CA ILE A 41 108.812 -4.827 18.176 1.00 1.54 C ATOM 561 C ILE A 41 108.109 -5.028 19.518 1.00 1.60 C ATOM 562 O ILE A 41 106.950 -4.701 19.674 1.00 1.65 O ATOM 563 CB ILE A 41 108.207 -3.600 17.486 1.00 1.45 C ATOM 564 CG1 ILE A 41 108.695 -3.517 16.034 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.633 -2.332 18.238 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.273 -2.171 15.421 1.00 1.34 C ATOM 0 H ILE A 41 107.694 -6.486 17.436 1.00 1.54 H new ATOM 0 HA ILE A 41 109.881 -4.666 18.318 1.00 1.54 H new ATOM 0 HB ILE A 41 107.121 -3.687 17.493 1.00 1.45 H new ATOM 0 HG12 ILE A 41 109.780 -3.620 15.998 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.278 -4.339 15.452 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.204 -1.457 17.749 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.278 -2.383 19.267 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.720 -2.254 18.233 1.00 1.50 H new ATOM 0 HD11 ILE A 41 108.621 -2.116 14.390 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.186 -2.086 15.442 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.712 -1.356 15.996 1.00 1.34 H new ATOM 578 N TRP A 42 108.799 -5.554 20.493 1.00 1.65 N ATOM 579 CA TRP A 42 108.166 -5.763 21.829 1.00 1.71 C ATOM 580 C TRP A 42 108.456 -4.533 22.695 1.00 1.77 C ATOM 581 O TRP A 42 109.595 -4.191 22.943 1.00 1.78 O ATOM 582 CB TRP A 42 108.748 -7.035 22.465 1.00 1.88 C ATOM 583 CG TRP A 42 108.491 -7.050 23.942 1.00 2.08 C ATOM 584 CD1 TRP A 42 109.444 -6.968 24.897 1.00 2.66 C ATOM 585 CD2 TRP A 42 107.217 -7.150 24.642 1.00 2.36 C ATOM 586 NE1 TRP A 42 108.837 -7.012 26.140 1.00 2.89 N ATOM 587 CE2 TRP A 42 107.465 -7.123 26.034 1.00 2.64 C ATOM 588 CE3 TRP A 42 105.883 -7.259 24.208 1.00 3.00 C ATOM 589 CZ2 TRP A 42 106.427 -7.203 26.964 1.00 3.08 C ATOM 590 CZ3 TRP A 42 104.836 -7.340 25.141 1.00 3.68 C ATOM 591 CH2 TRP A 42 105.108 -7.312 26.516 1.00 3.56 C ATOM 0 H TRP A 42 109.773 -5.848 20.424 1.00 1.65 H new ATOM 0 HA TRP A 42 107.087 -5.888 21.737 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.302 -7.916 22.004 1.00 1.88 H new ATOM 0 HB3 TRP A 42 109.820 -7.085 22.276 1.00 1.88 H new ATOM 0 HD1 TRP A 42 110.506 -6.882 24.719 1.00 2.66 H new ATOM 0 HE1 TRP A 42 109.341 -6.968 27.026 1.00 2.89 H new ATOM 0 HE3 TRP A 42 105.663 -7.281 23.151 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 106.642 -7.181 28.022 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 103.816 -7.424 24.797 1.00 3.68 H new ATOM 0 HH2 TRP A 42 104.299 -7.375 27.228 1.00 3.56 H new ATOM 602 N THR A 43 107.432 -3.856 23.142 1.00 1.91 N ATOM 603 CA THR A 43 107.645 -2.637 23.975 1.00 2.07 C ATOM 604 C THR A 43 106.443 -2.430 24.898 1.00 1.92 C ATOM 605 O THR A 43 105.369 -2.071 24.459 1.00 2.17 O ATOM 606 CB THR A 43 107.792 -1.423 23.051 1.00 2.42 C ATOM 607 OG1 THR A 43 107.432 -0.246 23.756 1.00 2.72 O ATOM 608 CG2 THR A 43 106.875 -1.587 21.837 1.00 2.89 C ATOM 0 H THR A 43 106.456 -4.095 22.966 1.00 1.91 H new ATOM 0 HA THR A 43 108.545 -2.756 24.578 1.00 2.07 H new ATOM 0 HB THR A 43 108.827 -1.347 22.717 1.00 2.42 H new ATOM 0 HG1 THR A 43 107.527 0.531 23.166 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.981 -0.723 21.181 1.00 2.89 H new ATOM 0 HG22 THR A 43 107.150 -2.491 21.293 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.840 -1.664 22.171 1.00 2.89 H new ATOM 616 N ARG A 44 106.613 -2.652 26.174 1.00 1.96 N ATOM 617 CA ARG A 44 105.475 -2.466 27.118 1.00 1.92 C ATOM 618 C ARG A 44 105.980 -2.582 28.562 1.00 1.92 C ATOM 619 O ARG A 44 105.873 -3.620 29.184 1.00 2.18 O ATOM 620 CB ARG A 44 104.412 -3.544 26.845 1.00 2.09 C ATOM 621 CG ARG A 44 103.039 -3.071 27.349 1.00 2.62 C ATOM 622 CD ARG A 44 102.013 -4.228 27.288 1.00 3.00 C ATOM 623 NE ARG A 44 100.743 -3.759 26.643 1.00 3.63 N ATOM 624 CZ ARG A 44 100.180 -2.631 26.992 1.00 4.14 C ATOM 625 NH1 ARG A 44 100.660 -1.934 27.985 1.00 4.51 N ATOM 626 NH2 ARG A 44 99.116 -2.214 26.361 1.00 4.63 N ATOM 0 H ARG A 44 107.489 -2.953 26.602 1.00 1.96 H new ATOM 0 HA ARG A 44 105.035 -1.479 26.975 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.363 -3.755 25.777 1.00 2.09 H new ATOM 0 HB3 ARG A 44 104.690 -4.474 27.341 1.00 2.09 H new ATOM 0 HG2 ARG A 44 103.126 -2.708 28.373 1.00 2.62 H new ATOM 0 HG3 ARG A 44 102.690 -2.235 26.743 1.00 2.62 H new ATOM 0 HD2 ARG A 44 102.429 -5.063 26.725 1.00 3.00 H new ATOM 0 HD3 ARG A 44 101.806 -4.593 28.294 1.00 3.00 H new ATOM 0 HE ARG A 44 100.310 -4.331 25.918 1.00 3.63 H new ATOM 0 HH11 ARG A 44 101.479 -2.268 28.494 1.00 4.51 H new ATOM 0 HH12 ARG A 44 100.217 -1.055 28.252 1.00 4.51 H new ATOM 0 HH21 ARG A 44 98.726 -2.767 25.598 1.00 4.63 H new ATOM 0 HH22 ARG A 44 98.675 -1.335 26.631 1.00 4.63 H new ATOM 640 N GLU A 45 106.529 -1.526 29.103 1.00 1.87 N ATOM 641 CA GLU A 45 107.034 -1.589 30.506 1.00 1.94 C ATOM 642 C GLU A 45 107.151 -0.176 31.084 1.00 1.84 C ATOM 643 O GLU A 45 106.732 0.084 32.194 1.00 1.87 O ATOM 644 CB GLU A 45 108.408 -2.265 30.528 1.00 2.09 C ATOM 645 CG GLU A 45 108.751 -2.672 31.963 1.00 2.37 C ATOM 646 CD GLU A 45 110.097 -3.400 31.982 1.00 2.40 C ATOM 647 OE1 GLU A 45 110.652 -3.607 30.916 1.00 2.73 O ATOM 648 OE2 GLU A 45 110.549 -3.739 33.064 1.00 2.89 O ATOM 0 H GLU A 45 106.649 -0.627 28.637 1.00 1.87 H new ATOM 0 HA GLU A 45 106.334 -2.166 31.110 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.405 -3.142 29.880 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.166 -1.585 30.140 1.00 2.09 H new ATOM 0 HG2 GLU A 45 108.794 -1.790 32.602 1.00 2.37 H new ATOM 0 HG3 GLU A 45 107.971 -3.318 32.365 1.00 2.37 H new ATOM 655 N ALA A 46 107.716 0.741 30.346 1.00 1.74 N ATOM 656 CA ALA A 46 107.851 2.131 30.867 1.00 1.71 C ATOM 657 C ALA A 46 106.464 2.727 31.069 1.00 1.64 C ATOM 658 O ALA A 46 106.179 3.328 32.086 1.00 1.71 O ATOM 659 CB ALA A 46 108.644 2.991 29.879 1.00 1.66 C ATOM 0 H ALA A 46 108.088 0.589 29.409 1.00 1.74 H new ATOM 0 HA ALA A 46 108.384 2.108 31.818 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.736 4.004 30.271 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.637 2.564 29.741 1.00 1.66 H new ATOM 0 HB3 ALA A 46 108.124 3.018 28.921 1.00 1.66 H new ATOM 665 N GLY A 47 105.593 2.564 30.114 1.00 1.60 N ATOM 666 CA GLY A 47 104.227 3.124 30.270 1.00 1.58 C ATOM 667 C GLY A 47 103.548 3.244 28.907 1.00 1.42 C ATOM 668 O GLY A 47 103.847 2.511 27.987 1.00 1.37 O ATOM 0 H GLY A 47 105.768 2.070 29.239 1.00 1.60 H new ATOM 0 HA2 GLY A 47 103.636 2.483 30.924 1.00 1.58 H new ATOM 0 HA3 GLY A 47 104.280 4.103 30.746 1.00 1.58 H new ATOM 672 N ALA A 48 102.629 4.166 28.777 1.00 1.40 N ATOM 673 CA ALA A 48 101.913 4.353 27.477 1.00 1.27 C ATOM 674 C ALA A 48 102.584 5.479 26.692 1.00 1.21 C ATOM 675 O ALA A 48 103.270 6.314 27.249 1.00 1.37 O ATOM 676 CB ALA A 48 100.455 4.728 27.748 1.00 1.32 C ATOM 0 H ALA A 48 102.341 4.802 29.520 1.00 1.40 H new ATOM 0 HA ALA A 48 101.951 3.428 26.902 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.932 4.865 26.801 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.974 3.932 28.316 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.418 5.655 28.320 1.00 1.32 H new ATOM 682 N GLY A 49 102.396 5.508 25.403 1.00 1.04 N ATOM 683 CA GLY A 49 103.028 6.581 24.587 1.00 1.02 C ATOM 684 C GLY A 49 102.635 6.402 23.122 1.00 0.87 C ATOM 685 O GLY A 49 102.015 5.424 22.753 1.00 0.71 O ATOM 0 H GLY A 49 101.833 4.837 24.880 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.709 7.560 24.944 1.00 1.02 H new ATOM 0 HA3 GLY A 49 104.112 6.542 24.692 1.00 1.02 H new ATOM 689 N GLY A 50 102.990 7.342 22.285 1.00 0.98 N ATOM 690 CA GLY A 50 102.642 7.244 20.834 1.00 0.86 C ATOM 691 C GLY A 50 103.890 6.872 20.034 1.00 0.86 C ATOM 692 O GLY A 50 104.877 7.581 20.040 1.00 1.06 O ATOM 0 H GLY A 50 103.510 8.180 22.546 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.865 6.494 20.685 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.240 8.194 20.481 1.00 0.86 H new ATOM 696 N LEU A 51 103.850 5.773 19.329 1.00 0.74 N ATOM 697 CA LEU A 51 105.029 5.364 18.511 1.00 0.75 C ATOM 698 C LEU A 51 104.862 5.955 17.125 1.00 0.68 C ATOM 699 O LEU A 51 104.030 5.520 16.371 1.00 0.60 O ATOM 700 CB LEU A 51 105.083 3.833 18.421 1.00 0.74 C ATOM 701 CG LEU A 51 106.225 3.390 17.492 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.577 3.854 18.056 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.212 1.862 17.382 1.00 0.77 C ATOM 0 H LEU A 51 103.051 5.140 19.284 1.00 0.74 H new ATOM 0 HA LEU A 51 105.954 5.721 18.965 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.229 3.409 19.415 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.133 3.451 18.048 1.00 0.74 H new ATOM 0 HG LEU A 51 106.084 3.836 16.507 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.378 3.534 17.390 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.584 4.941 18.137 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.729 3.416 19.042 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.019 1.538 16.725 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.351 1.425 18.371 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.256 1.535 16.972 1.00 0.77 H new ATOM 715 N SER A 52 105.654 6.936 16.793 1.00 0.75 N ATOM 716 CA SER A 52 105.562 7.577 15.447 1.00 0.71 C ATOM 717 C SER A 52 106.516 6.855 14.495 1.00 0.70 C ATOM 718 O SER A 52 107.596 6.464 14.893 1.00 0.78 O ATOM 719 CB SER A 52 105.973 9.047 15.561 1.00 0.82 C ATOM 720 OG SER A 52 106.490 9.488 14.313 1.00 1.56 O ATOM 0 H SER A 52 106.371 7.327 17.404 1.00 0.75 H new ATOM 0 HA SER A 52 104.541 7.514 15.069 1.00 0.71 H new ATOM 0 HB2 SER A 52 105.115 9.655 15.848 1.00 0.82 H new ATOM 0 HB3 SER A 52 106.724 9.167 16.342 1.00 0.82 H new ATOM 0 HG SER A 52 106.753 10.430 14.382 1.00 1.56 H new ATOM 726 N ILE A 53 106.134 6.673 13.244 1.00 0.61 N ATOM 727 CA ILE A 53 107.032 5.974 12.273 1.00 0.61 C ATOM 728 C ILE A 53 107.137 6.811 10.998 1.00 0.57 C ATOM 729 O ILE A 53 106.261 6.790 10.156 1.00 0.65 O ATOM 730 CB ILE A 53 106.442 4.603 11.929 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.067 3.871 13.221 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.474 3.780 11.156 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.518 2.483 12.881 1.00 0.64 C ATOM 0 H ILE A 53 105.240 6.980 12.861 1.00 0.61 H new ATOM 0 HA ILE A 53 108.020 5.845 12.714 1.00 0.61 H new ATOM 0 HB ILE A 53 105.552 4.735 11.314 1.00 0.56 H new ATOM 0 HG12 ILE A 53 106.941 3.780 13.867 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.321 4.444 13.773 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.053 2.805 10.912 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.740 4.301 10.236 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.366 3.647 11.768 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.251 1.962 13.800 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.634 2.586 12.252 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.278 1.912 12.348 1.00 0.64 H new ATOM 745 N ALA A 54 108.207 7.544 10.846 1.00 0.60 N ATOM 746 CA ALA A 54 108.383 8.381 9.627 1.00 0.57 C ATOM 747 C ALA A 54 109.186 7.586 8.602 1.00 0.54 C ATOM 748 O ALA A 54 110.378 7.393 8.746 1.00 0.63 O ATOM 749 CB ALA A 54 109.136 9.665 9.990 1.00 0.69 C ATOM 0 H ALA A 54 108.971 7.598 11.519 1.00 0.60 H new ATOM 0 HA ALA A 54 107.410 8.646 9.212 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.264 10.277 9.097 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.567 10.223 10.733 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.114 9.410 10.399 1.00 0.69 H new ATOM 755 N VAL A 55 108.535 7.116 7.574 1.00 0.45 N ATOM 756 CA VAL A 55 109.240 6.317 6.522 1.00 0.47 C ATOM 757 C VAL A 55 109.510 7.201 5.301 1.00 0.41 C ATOM 758 O VAL A 55 108.704 8.030 4.924 1.00 0.39 O ATOM 759 CB VAL A 55 108.366 5.108 6.099 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.800 3.847 6.859 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.890 5.395 6.410 1.00 0.79 C ATOM 0 H VAL A 55 107.537 7.250 7.413 1.00 0.45 H new ATOM 0 HA VAL A 55 110.184 5.953 6.926 1.00 0.47 H new ATOM 0 HB VAL A 55 108.493 4.948 5.028 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.178 3.006 6.553 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.844 3.628 6.634 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.686 4.011 7.931 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.282 4.541 6.110 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.770 5.568 7.480 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.568 6.280 5.861 1.00 0.79 H new ATOM 771 N GLU A 56 110.637 7.007 4.669 1.00 0.44 N ATOM 772 CA GLU A 56 110.979 7.800 3.455 1.00 0.40 C ATOM 773 C GLU A 56 111.677 6.855 2.469 1.00 0.43 C ATOM 774 O GLU A 56 112.383 5.949 2.864 1.00 0.52 O ATOM 775 CB GLU A 56 111.893 8.973 3.856 1.00 0.47 C ATOM 776 CG GLU A 56 112.648 9.513 2.635 1.00 0.49 C ATOM 777 CD GLU A 56 113.209 10.902 2.948 1.00 1.08 C ATOM 778 OE1 GLU A 56 112.432 11.757 3.341 1.00 1.71 O ATOM 779 OE2 GLU A 56 114.404 11.087 2.789 1.00 1.80 O ATOM 0 H GLU A 56 111.342 6.325 4.947 1.00 0.44 H new ATOM 0 HA GLU A 56 110.090 8.220 2.985 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.297 9.769 4.303 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.604 8.644 4.614 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.458 8.835 2.367 1.00 0.49 H new ATOM 0 HG3 GLU A 56 111.979 9.565 1.776 1.00 0.49 H new ATOM 786 N GLY A 57 111.474 7.037 1.194 1.00 0.41 N ATOM 787 CA GLY A 57 112.120 6.125 0.209 1.00 0.49 C ATOM 788 C GLY A 57 111.465 6.298 -1.170 1.00 0.45 C ATOM 789 O GLY A 57 110.665 7.189 -1.354 1.00 0.44 O ATOM 0 H GLY A 57 110.893 7.773 0.793 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.186 6.341 0.145 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.024 5.091 0.540 1.00 0.49 H new ATOM 793 N PRO A 58 111.837 5.446 -2.106 1.00 0.50 N ATOM 794 CA PRO A 58 111.299 5.500 -3.485 1.00 0.52 C ATOM 795 C PRO A 58 109.786 5.246 -3.536 1.00 0.54 C ATOM 796 O PRO A 58 109.100 5.802 -4.371 1.00 0.56 O ATOM 797 CB PRO A 58 112.064 4.400 -4.253 1.00 0.63 C ATOM 798 CG PRO A 58 113.102 3.780 -3.274 1.00 0.66 C ATOM 799 CD PRO A 58 112.832 4.376 -1.876 1.00 0.60 C ATOM 0 HA PRO A 58 111.437 6.490 -3.919 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.376 3.637 -4.616 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.564 4.819 -5.126 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.009 2.694 -3.253 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.118 4.006 -3.598 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.448 3.620 -1.191 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.745 4.774 -1.433 1.00 0.60 H new ATOM 807 N SER A 59 109.257 4.410 -2.678 1.00 0.56 N ATOM 808 CA SER A 59 107.780 4.130 -2.716 1.00 0.60 C ATOM 809 C SER A 59 107.183 4.221 -1.315 1.00 0.55 C ATOM 810 O SER A 59 107.871 4.456 -0.342 1.00 0.55 O ATOM 811 CB SER A 59 107.543 2.728 -3.267 1.00 0.71 C ATOM 812 OG SER A 59 106.235 2.302 -2.908 1.00 1.55 O ATOM 0 H SER A 59 109.776 3.910 -1.956 1.00 0.56 H new ATOM 0 HA SER A 59 107.301 4.871 -3.356 1.00 0.60 H new ATOM 0 HB2 SER A 59 107.655 2.726 -4.351 1.00 0.71 H new ATOM 0 HB3 SER A 59 108.286 2.037 -2.869 1.00 0.71 H new ATOM 0 HG SER A 59 106.296 1.587 -2.241 1.00 1.55 H new ATOM 818 N LYS A 60 105.891 4.042 -1.216 1.00 0.59 N ATOM 819 CA LYS A 60 105.210 4.120 0.108 1.00 0.57 C ATOM 820 C LYS A 60 105.100 2.720 0.715 1.00 0.63 C ATOM 821 O LYS A 60 104.189 1.974 0.415 1.00 0.73 O ATOM 822 CB LYS A 60 103.807 4.702 -0.090 1.00 0.63 C ATOM 823 CG LYS A 60 103.127 4.894 1.267 1.00 1.23 C ATOM 824 CD LYS A 60 101.732 5.490 1.059 1.00 1.29 C ATOM 825 CE LYS A 60 100.918 5.365 2.350 1.00 1.87 C ATOM 826 NZ LYS A 60 100.415 3.969 2.488 1.00 2.53 N ATOM 0 H LYS A 60 105.274 3.843 -2.004 1.00 0.59 H new ATOM 0 HA LYS A 60 105.785 4.756 0.780 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.870 5.656 -0.613 1.00 0.63 H new ATOM 0 HB3 LYS A 60 103.212 4.035 -0.714 1.00 0.63 H new ATOM 0 HG2 LYS A 60 103.052 3.939 1.787 1.00 1.23 H new ATOM 0 HG3 LYS A 60 103.726 5.553 1.896 1.00 1.23 H new ATOM 0 HD2 LYS A 60 101.813 6.538 0.769 1.00 1.29 H new ATOM 0 HD3 LYS A 60 101.223 4.973 0.246 1.00 1.29 H new ATOM 0 HE2 LYS A 60 101.536 5.627 3.209 1.00 1.87 H new ATOM 0 HE3 LYS A 60 100.082 6.064 2.334 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 99.482 3.980 2.947 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 100.333 3.535 1.546 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 101.079 3.416 3.067 1.00 2.53 H new ATOM 840 N ALA A 61 106.017 2.357 1.570 1.00 0.66 N ATOM 841 CA ALA A 61 105.955 1.007 2.197 1.00 0.76 C ATOM 842 C ALA A 61 104.661 0.891 3.003 1.00 0.77 C ATOM 843 O ALA A 61 104.326 1.765 3.778 1.00 0.78 O ATOM 844 CB ALA A 61 107.155 0.819 3.126 1.00 0.82 C ATOM 0 H ALA A 61 106.805 2.936 1.861 1.00 0.66 H new ATOM 0 HA ALA A 61 105.977 0.240 1.423 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.109 -0.169 3.584 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.077 0.910 2.552 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.135 1.582 3.905 1.00 0.82 H new ATOM 850 N GLU A 62 103.918 -0.173 2.825 1.00 0.88 N ATOM 851 CA GLU A 62 102.639 -0.320 3.584 1.00 0.93 C ATOM 852 C GLU A 62 102.898 -1.009 4.927 1.00 0.96 C ATOM 853 O GLU A 62 102.928 -2.220 5.021 1.00 1.43 O ATOM 854 CB GLU A 62 101.632 -1.136 2.758 1.00 1.11 C ATOM 855 CG GLU A 62 100.202 -0.803 3.201 1.00 1.50 C ATOM 856 CD GLU A 62 99.837 0.607 2.733 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.239 0.969 1.639 1.00 2.14 O ATOM 858 OE2 GLU A 62 99.163 1.300 3.476 1.00 2.30 O ATOM 0 H GLU A 62 104.140 -0.941 2.191 1.00 0.88 H new ATOM 0 HA GLU A 62 102.224 0.670 3.773 1.00 0.93 H new ATOM 0 HB2 GLU A 62 101.754 -0.915 1.698 1.00 1.11 H new ATOM 0 HB3 GLU A 62 101.823 -2.202 2.885 1.00 1.11 H new ATOM 0 HG2 GLU A 62 99.503 -1.528 2.784 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.121 -0.870 4.286 1.00 1.50 H new ATOM 865 N ILE A 63 103.073 -0.225 5.960 1.00 0.97 N ATOM 866 CA ILE A 63 103.319 -0.774 7.328 1.00 0.94 C ATOM 867 C ILE A 63 102.119 -1.632 7.751 1.00 1.01 C ATOM 868 O ILE A 63 101.019 -1.451 7.267 1.00 1.06 O ATOM 869 CB ILE A 63 103.499 0.415 8.298 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.932 0.954 8.181 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.231 -0.016 9.748 1.00 1.28 C ATOM 872 CD1 ILE A 63 105.186 1.434 6.750 1.00 1.40 C ATOM 0 H ILE A 63 103.055 0.794 5.911 1.00 0.97 H new ATOM 0 HA ILE A 63 104.214 -1.397 7.341 1.00 0.94 H new ATOM 0 HB ILE A 63 102.784 1.193 8.031 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.081 1.775 8.882 1.00 1.06 H new ATOM 0 HG13 ILE A 63 105.647 0.175 8.446 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.364 0.838 10.412 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.210 -0.387 9.834 1.00 1.28 H new ATOM 0 HG23 ILE A 63 103.929 -0.805 10.028 1.00 1.28 H new ATOM 0 HD11 ILE A 63 106.204 1.816 6.670 1.00 1.40 H new ATOM 0 HD12 ILE A 63 105.055 0.602 6.058 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.480 2.227 6.501 1.00 1.40 H new ATOM 884 N ALA A 64 102.315 -2.563 8.658 1.00 1.04 N ATOM 885 CA ALA A 64 101.176 -3.419 9.110 1.00 1.13 C ATOM 886 C ALA A 64 101.351 -3.726 10.603 1.00 1.14 C ATOM 887 O ALA A 64 102.361 -3.413 11.192 1.00 1.36 O ATOM 888 CB ALA A 64 101.154 -4.724 8.285 1.00 1.26 C ATOM 0 H ALA A 64 103.211 -2.764 9.101 1.00 1.04 H new ATOM 0 HA ALA A 64 100.229 -2.900 8.960 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.324 -5.349 8.614 1.00 1.26 H new ATOM 0 HB2 ALA A 64 101.031 -4.485 7.229 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.091 -5.261 8.429 1.00 1.26 H new ATOM 894 N PHE A 65 100.372 -4.337 11.214 1.00 1.16 N ATOM 895 CA PHE A 65 100.474 -4.671 12.666 1.00 1.16 C ATOM 896 C PHE A 65 99.694 -5.959 12.942 1.00 1.28 C ATOM 897 O PHE A 65 98.491 -6.009 12.777 1.00 1.35 O ATOM 898 CB PHE A 65 99.887 -3.528 13.498 1.00 1.11 C ATOM 899 CG PHE A 65 98.410 -3.396 13.208 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.979 -2.702 12.072 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.473 -3.968 14.077 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.610 -2.579 11.805 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.104 -3.846 13.809 1.00 1.43 C ATOM 904 CZ PHE A 65 95.673 -3.151 12.673 1.00 1.47 C ATOM 0 H PHE A 65 99.500 -4.621 10.768 1.00 1.16 H new ATOM 0 HA PHE A 65 101.521 -4.811 12.936 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.044 -3.720 14.559 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.399 -2.594 13.264 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.702 -2.261 11.401 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.806 -4.503 14.954 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.277 -2.042 10.929 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.381 -4.288 14.479 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.617 -3.056 12.466 1.00 1.47 H new ATOM 914 N GLU A 66 100.365 -7.004 13.358 1.00 1.35 N ATOM 915 CA GLU A 66 99.656 -8.293 13.642 1.00 1.50 C ATOM 916 C GLU A 66 100.268 -8.961 14.875 1.00 1.54 C ATOM 917 O GLU A 66 101.340 -9.529 14.818 1.00 1.61 O ATOM 918 CB GLU A 66 99.799 -9.229 12.440 1.00 1.62 C ATOM 919 CG GLU A 66 99.018 -10.518 12.703 1.00 1.80 C ATOM 920 CD GLU A 66 99.040 -11.396 11.450 1.00 1.94 C ATOM 921 OE1 GLU A 66 99.859 -11.137 10.584 1.00 2.51 O ATOM 922 OE2 GLU A 66 98.239 -12.313 11.379 1.00 2.01 O ATOM 0 H GLU A 66 101.373 -7.022 13.514 1.00 1.35 H new ATOM 0 HA GLU A 66 98.602 -8.088 13.827 1.00 1.50 H new ATOM 0 HB2 GLU A 66 99.425 -8.742 11.539 1.00 1.62 H new ATOM 0 HB3 GLU A 66 100.851 -9.457 12.266 1.00 1.62 H new ATOM 0 HG2 GLU A 66 99.456 -11.056 13.544 1.00 1.80 H new ATOM 0 HG3 GLU A 66 97.989 -10.283 12.976 1.00 1.80 H new ATOM 1006 N SER A 72 104.670 -9.725 21.502 1.00 1.78 N ATOM 1007 CA SER A 72 105.644 -9.151 20.534 1.00 1.72 C ATOM 1008 C SER A 72 104.873 -8.493 19.390 1.00 1.60 C ATOM 1009 O SER A 72 104.185 -9.152 18.636 1.00 1.64 O ATOM 1010 CB SER A 72 106.535 -10.263 19.979 1.00 1.82 C ATOM 1011 OG SER A 72 107.586 -9.685 19.216 1.00 2.20 O ATOM 0 HA SER A 72 106.269 -8.411 21.034 1.00 1.72 H new ATOM 0 HB2 SER A 72 106.947 -10.857 20.795 1.00 1.82 H new ATOM 0 HB3 SER A 72 105.948 -10.939 19.357 1.00 1.82 H new ATOM 0 HG SER A 72 108.160 -10.395 18.860 1.00 2.20 H new ATOM 1017 N CYS A 73 104.977 -7.201 19.251 1.00 1.50 N ATOM 1018 CA CYS A 73 104.242 -6.517 18.151 1.00 1.40 C ATOM 1019 C CYS A 73 104.976 -6.760 16.832 1.00 1.37 C ATOM 1020 O CYS A 73 106.170 -6.561 16.729 1.00 1.39 O ATOM 1021 CB CYS A 73 104.160 -5.016 18.439 1.00 1.31 C ATOM 1022 SG CYS A 73 102.868 -4.275 17.412 1.00 2.05 S ATOM 0 H CYS A 73 105.536 -6.592 19.848 1.00 1.50 H new ATOM 0 HA CYS A 73 103.230 -6.916 18.081 1.00 1.40 H new ATOM 0 HB2 CYS A 73 103.942 -4.849 19.494 1.00 1.31 H new ATOM 0 HB3 CYS A 73 105.120 -4.542 18.233 1.00 1.31 H new ATOM 0 HG CYS A 73 102.796 -3.000 17.658 1.00 2.05 H new ATOM 1028 N GLY A 74 104.268 -7.203 15.825 1.00 1.39 N ATOM 1029 CA GLY A 74 104.909 -7.482 14.502 1.00 1.38 C ATOM 1030 C GLY A 74 104.580 -6.364 13.514 1.00 1.28 C ATOM 1031 O GLY A 74 103.444 -6.174 13.126 1.00 1.26 O ATOM 0 H GLY A 74 103.265 -7.385 15.862 1.00 1.39 H new ATOM 0 HA2 GLY A 74 105.989 -7.565 14.623 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.557 -8.437 14.113 1.00 1.38 H new ATOM 1035 N VAL A 75 105.575 -5.631 13.096 1.00 1.25 N ATOM 1036 CA VAL A 75 105.352 -4.520 12.117 1.00 1.16 C ATOM 1037 C VAL A 75 105.782 -4.993 10.731 1.00 1.20 C ATOM 1038 O VAL A 75 106.956 -5.148 10.457 1.00 1.25 O ATOM 1039 CB VAL A 75 106.195 -3.306 12.538 1.00 1.11 C ATOM 1040 CG1 VAL A 75 106.268 -2.291 11.392 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.564 -2.641 13.769 1.00 1.57 C ATOM 0 H VAL A 75 106.544 -5.753 13.392 1.00 1.25 H new ATOM 0 HA VAL A 75 104.299 -4.238 12.096 1.00 1.16 H new ATOM 0 HB VAL A 75 107.203 -3.644 12.781 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.868 -1.435 11.702 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.726 -2.759 10.520 1.00 1.31 H new ATOM 0 HG13 VAL A 75 105.262 -1.956 11.138 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.164 -1.781 14.065 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.553 -2.313 13.527 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.526 -3.357 14.590 1.00 1.57 H new ATOM 1051 N SER A 76 104.838 -5.219 9.852 1.00 1.22 N ATOM 1052 CA SER A 76 105.183 -5.681 8.473 1.00 1.29 C ATOM 1053 C SER A 76 105.053 -4.512 7.497 1.00 1.19 C ATOM 1054 O SER A 76 104.039 -3.846 7.439 1.00 1.20 O ATOM 1055 CB SER A 76 104.235 -6.811 8.054 1.00 1.40 C ATOM 1056 OG SER A 76 104.836 -7.563 7.008 1.00 1.85 O ATOM 0 H SER A 76 103.841 -5.103 10.031 1.00 1.22 H new ATOM 0 HA SER A 76 106.208 -6.051 8.461 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.021 -7.457 8.906 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.283 -6.398 7.720 1.00 1.40 H new ATOM 0 HG SER A 76 104.234 -8.288 6.738 1.00 1.85 H new ATOM 1062 N TYR A 77 106.082 -4.265 6.730 1.00 1.21 N ATOM 1063 CA TYR A 77 106.058 -3.148 5.739 1.00 1.12 C ATOM 1064 C TYR A 77 106.473 -3.705 4.378 1.00 1.20 C ATOM 1065 O TYR A 77 107.484 -4.367 4.255 1.00 1.43 O ATOM 1066 CB TYR A 77 107.025 -2.043 6.188 1.00 1.07 C ATOM 1067 CG TYR A 77 108.456 -2.539 6.127 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.891 -3.552 6.993 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.350 -1.982 5.204 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.214 -4.004 6.933 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.673 -2.436 5.144 1.00 1.28 C ATOM 1072 CZ TYR A 77 111.105 -3.448 6.008 1.00 1.39 C ATOM 1073 OH TYR A 77 112.409 -3.895 5.950 1.00 1.54 O ATOM 0 H TYR A 77 106.951 -4.798 6.748 1.00 1.21 H new ATOM 0 HA TYR A 77 105.058 -2.720 5.668 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.909 -1.167 5.549 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.784 -1.731 7.204 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.205 -3.984 7.707 1.00 1.33 H new ATOM 0 HD2 TYR A 77 109.018 -1.200 4.537 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.548 -4.783 7.602 1.00 1.47 H new ATOM 0 HE2 TYR A 77 111.360 -2.005 4.431 1.00 1.28 H new ATOM 0 HH TYR A 77 112.764 -3.986 6.859 1.00 1.54 H new ATOM 1083 N VAL A 78 105.687 -3.461 3.353 1.00 1.13 N ATOM 1084 CA VAL A 78 106.025 -4.002 1.993 1.00 1.21 C ATOM 1085 C VAL A 78 106.584 -2.876 1.123 1.00 1.14 C ATOM 1086 O VAL A 78 105.877 -1.974 0.722 1.00 1.11 O ATOM 1087 CB VAL A 78 104.753 -4.601 1.362 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.545 -3.747 1.743 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.880 -4.663 -0.168 1.00 1.90 C ATOM 0 H VAL A 78 104.828 -2.912 3.398 1.00 1.13 H new ATOM 0 HA VAL A 78 106.781 -4.783 2.074 1.00 1.21 H new ATOM 0 HB VAL A 78 104.622 -5.615 1.739 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.645 -4.170 1.297 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.439 -3.730 2.828 1.00 1.81 H new ATOM 0 HG13 VAL A 78 103.688 -2.730 1.377 1.00 1.81 H new ATOM 0 HG21 VAL A 78 103.971 -5.089 -0.592 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.027 -3.657 -0.562 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.733 -5.287 -0.437 1.00 1.90 H new ATOM 1099 N VAL A 79 107.854 -2.930 0.827 1.00 1.17 N ATOM 1100 CA VAL A 79 108.475 -1.872 -0.017 1.00 1.11 C ATOM 1101 C VAL A 79 108.217 -2.182 -1.493 1.00 1.15 C ATOM 1102 O VAL A 79 107.854 -3.284 -1.846 1.00 1.24 O ATOM 1103 CB VAL A 79 109.981 -1.840 0.250 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.240 -1.188 1.614 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.524 -3.274 0.256 1.00 1.27 C ATOM 0 H VAL A 79 108.490 -3.665 1.135 1.00 1.17 H new ATOM 0 HA VAL A 79 108.041 -0.902 0.226 1.00 1.11 H new ATOM 0 HB VAL A 79 110.481 -1.264 -0.529 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.312 -1.163 1.808 1.00 1.13 H new ATOM 0 HG12 VAL A 79 109.848 -0.171 1.611 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.744 -1.766 2.394 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.597 -3.256 0.446 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.027 -3.848 1.038 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.335 -3.739 -0.712 1.00 1.27 H new ATOM 1115 N GLN A 80 108.389 -1.217 -2.363 1.00 1.10 N ATOM 1116 CA GLN A 80 108.132 -1.462 -3.818 1.00 1.15 C ATOM 1117 C GLN A 80 109.428 -1.813 -4.556 1.00 1.17 C ATOM 1118 O GLN A 80 109.481 -2.778 -5.291 1.00 1.25 O ATOM 1119 CB GLN A 80 107.531 -0.203 -4.448 1.00 1.11 C ATOM 1120 CG GLN A 80 106.894 -0.554 -5.795 1.00 1.18 C ATOM 1121 CD GLN A 80 106.580 0.732 -6.562 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.732 1.502 -6.158 1.00 2.47 O ATOM 1123 NE2 GLN A 80 107.234 0.999 -7.659 1.00 2.48 N ATOM 0 H GLN A 80 108.695 -0.272 -2.130 1.00 1.10 H new ATOM 0 HA GLN A 80 107.440 -2.300 -3.905 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.783 0.227 -3.782 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.306 0.551 -4.587 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.570 -1.181 -6.377 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.981 -1.129 -5.639 1.00 1.18 H new ATOM 0 HE21 GLN A 80 107.946 0.352 -7.998 1.00 2.48 H new ATOM 0 HE22 GLN A 80 107.033 1.854 -8.177 1.00 2.48 H new ATOM 1132 N GLU A 81 110.473 -1.031 -4.399 1.00 1.11 N ATOM 1133 CA GLU A 81 111.741 -1.347 -5.143 1.00 1.13 C ATOM 1134 C GLU A 81 112.993 -0.829 -4.389 1.00 1.07 C ATOM 1135 O GLU A 81 112.904 0.107 -3.619 1.00 0.98 O ATOM 1136 CB GLU A 81 111.682 -0.724 -6.560 1.00 1.11 C ATOM 1137 CG GLU A 81 110.648 0.395 -6.577 1.00 1.43 C ATOM 1138 CD GLU A 81 110.699 1.126 -7.920 1.00 1.37 C ATOM 1139 OE1 GLU A 81 111.584 0.824 -8.703 1.00 1.65 O ATOM 1140 OE2 GLU A 81 109.852 1.976 -8.142 1.00 1.92 O ATOM 0 H GLU A 81 110.506 -0.205 -3.802 1.00 1.11 H new ATOM 0 HA GLU A 81 111.826 -2.431 -5.219 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.661 -0.334 -6.839 1.00 1.11 H new ATOM 0 HB3 GLU A 81 111.421 -1.486 -7.294 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.652 -0.015 -6.413 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.842 1.095 -5.764 1.00 1.43 H new ATOM 1147 N PRO A 82 114.135 -1.458 -4.657 1.00 1.14 N ATOM 1148 CA PRO A 82 115.428 -1.096 -4.049 1.00 1.14 C ATOM 1149 C PRO A 82 115.612 0.397 -3.855 1.00 1.00 C ATOM 1150 O PRO A 82 114.956 1.220 -4.463 1.00 0.91 O ATOM 1151 CB PRO A 82 116.464 -1.665 -5.024 1.00 1.23 C ATOM 1152 CG PRO A 82 115.764 -2.850 -5.713 1.00 1.30 C ATOM 1153 CD PRO A 82 114.248 -2.605 -5.584 1.00 1.26 C ATOM 0 HA PRO A 82 115.515 -1.499 -3.040 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.774 -0.914 -5.751 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.362 -1.990 -4.499 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.057 -2.917 -6.761 1.00 1.30 H new ATOM 0 HG3 PRO A 82 116.045 -3.792 -5.243 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.799 -2.379 -6.551 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.736 -3.484 -5.192 1.00 1.26 H new ATOM 1161 N GLY A 83 116.526 0.733 -2.993 1.00 0.99 N ATOM 1162 CA GLY A 83 116.815 2.167 -2.707 1.00 0.89 C ATOM 1163 C GLY A 83 117.253 2.311 -1.251 1.00 0.92 C ATOM 1164 O GLY A 83 117.592 1.344 -0.597 1.00 1.02 O ATOM 0 H GLY A 83 117.093 0.069 -2.467 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.597 2.532 -3.372 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.929 2.773 -2.894 1.00 0.89 H new ATOM 1168 N ASP A 84 117.240 3.514 -0.739 1.00 0.87 N ATOM 1169 CA ASP A 84 117.645 3.749 0.680 1.00 0.93 C ATOM 1170 C ASP A 84 116.400 4.098 1.492 1.00 0.83 C ATOM 1171 O ASP A 84 116.046 5.250 1.636 1.00 0.76 O ATOM 1172 CB ASP A 84 118.632 4.918 0.738 1.00 0.98 C ATOM 1173 CG ASP A 84 119.850 4.604 -0.132 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.299 3.470 -0.102 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.314 5.503 -0.814 1.00 2.13 O ATOM 0 H ASP A 84 116.963 4.353 -1.249 1.00 0.87 H new ATOM 0 HA ASP A 84 118.118 2.855 1.087 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.150 5.832 0.390 1.00 0.98 H new ATOM 0 HB3 ASP A 84 118.943 5.094 1.768 1.00 0.98 H new ATOM 1180 N TYR A 85 115.732 3.114 2.026 1.00 0.84 N ATOM 1181 CA TYR A 85 114.514 3.399 2.828 1.00 0.76 C ATOM 1182 C TYR A 85 114.955 3.924 4.194 1.00 0.80 C ATOM 1183 O TYR A 85 115.784 3.339 4.857 1.00 0.92 O ATOM 1184 CB TYR A 85 113.683 2.106 2.977 1.00 0.80 C ATOM 1185 CG TYR A 85 112.561 2.082 1.962 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.362 2.755 2.229 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.722 1.388 0.758 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.325 2.733 1.291 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.685 1.366 -0.180 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.486 2.039 0.086 1.00 0.67 C ATOM 1191 OH TYR A 85 109.462 2.016 -0.838 1.00 0.68 O ATOM 0 H TYR A 85 115.977 2.128 1.941 1.00 0.84 H new ATOM 0 HA TYR A 85 113.892 4.147 2.336 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.325 1.236 2.840 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.272 2.044 3.985 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.238 3.291 3.159 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.647 0.869 0.553 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.400 3.251 1.496 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.809 0.830 -1.109 1.00 0.75 H new ATOM 0 HH TYR A 85 108.601 2.078 -0.374 1.00 0.68 H new ATOM 1201 N GLU A 86 114.401 5.031 4.602 1.00 0.73 N ATOM 1202 CA GLU A 86 114.764 5.646 5.918 1.00 0.78 C ATOM 1203 C GLU A 86 113.591 5.445 6.877 1.00 0.74 C ATOM 1204 O GLU A 86 112.466 5.758 6.552 1.00 0.68 O ATOM 1205 CB GLU A 86 115.054 7.171 5.740 1.00 0.78 C ATOM 1206 CG GLU A 86 115.031 7.564 4.253 1.00 0.72 C ATOM 1207 CD GLU A 86 116.277 7.011 3.560 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.870 6.091 4.098 1.00 1.53 O ATOM 1209 OE2 GLU A 86 116.616 7.516 2.502 1.00 1.26 O ATOM 0 H GLU A 86 113.699 5.548 4.072 1.00 0.73 H new ATOM 0 HA GLU A 86 115.662 5.173 6.316 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.311 7.753 6.286 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.026 7.413 6.169 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.133 7.172 3.776 1.00 0.72 H new ATOM 0 HG3 GLU A 86 114.998 8.649 4.153 1.00 0.72 H new ATOM 1216 N VAL A 87 113.843 4.916 8.047 1.00 0.81 N ATOM 1217 CA VAL A 87 112.743 4.678 9.030 1.00 0.78 C ATOM 1218 C VAL A 87 113.086 5.337 10.368 1.00 0.86 C ATOM 1219 O VAL A 87 114.219 5.309 10.815 1.00 0.99 O ATOM 1220 CB VAL A 87 112.579 3.169 9.212 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.748 2.600 10.022 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.262 2.880 9.935 1.00 0.83 C ATOM 0 H VAL A 87 114.771 4.637 8.366 1.00 0.81 H new ATOM 0 HA VAL A 87 111.812 5.111 8.664 1.00 0.78 H new ATOM 0 HB VAL A 87 112.568 2.694 8.231 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.617 1.525 10.143 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.683 2.795 9.497 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.776 3.075 11.003 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.146 1.804 10.064 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.269 3.364 10.912 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.431 3.266 9.345 1.00 0.83 H new ATOM 1232 N SER A 88 112.108 5.930 11.011 1.00 0.81 N ATOM 1233 CA SER A 88 112.351 6.599 12.327 1.00 0.91 C ATOM 1234 C SER A 88 111.248 6.208 13.310 1.00 0.87 C ATOM 1235 O SER A 88 110.136 6.688 13.233 1.00 0.84 O ATOM 1236 CB SER A 88 112.351 8.117 12.135 1.00 0.94 C ATOM 1237 OG SER A 88 111.012 8.593 12.150 1.00 1.59 O ATOM 0 H SER A 88 111.145 5.979 10.677 1.00 0.81 H new ATOM 0 HA SER A 88 113.317 6.283 12.722 1.00 0.91 H new ATOM 0 HB2 SER A 88 112.928 8.595 12.927 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.830 8.376 11.191 1.00 0.94 H new ATOM 0 HG SER A 88 110.509 8.132 12.854 1.00 1.59 H new ATOM 1243 N ILE A 89 111.557 5.332 14.236 1.00 0.99 N ATOM 1244 CA ILE A 89 110.543 4.884 15.242 1.00 0.98 C ATOM 1245 C ILE A 89 110.940 5.393 16.628 1.00 1.08 C ATOM 1246 O ILE A 89 112.057 5.221 17.073 1.00 1.20 O ATOM 1247 CB ILE A 89 110.462 3.341 15.224 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.503 2.717 16.178 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.723 2.842 13.797 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.595 1.200 15.946 1.00 1.29 C ATOM 0 H ILE A 89 112.477 4.904 14.338 1.00 0.99 H new ATOM 0 HA ILE A 89 109.562 5.290 14.995 1.00 0.98 H new ATOM 0 HB ILE A 89 109.468 3.043 15.557 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.478 3.177 16.015 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.225 2.918 17.213 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.668 1.754 13.776 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.973 3.256 13.124 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.715 3.161 13.476 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.333 0.772 16.625 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.623 0.744 16.132 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.895 1.007 14.916 1.00 1.29 H new ATOM 1262 N LYS A 90 110.023 6.015 17.310 1.00 1.05 N ATOM 1263 CA LYS A 90 110.306 6.540 18.667 1.00 1.16 C ATOM 1264 C LYS A 90 109.092 6.277 19.541 1.00 1.11 C ATOM 1265 O LYS A 90 108.003 6.708 19.226 1.00 1.01 O ATOM 1266 CB LYS A 90 110.512 8.049 18.584 1.00 1.22 C ATOM 1267 CG LYS A 90 109.224 8.713 18.043 1.00 1.15 C ATOM 1268 CD LYS A 90 109.564 10.003 17.265 1.00 1.34 C ATOM 1269 CE LYS A 90 109.757 9.675 15.782 1.00 1.04 C ATOM 1270 NZ LYS A 90 110.939 8.784 15.617 1.00 1.58 N ATOM 0 H LYS A 90 109.074 6.183 16.977 1.00 1.05 H new ATOM 0 HA LYS A 90 111.195 6.060 19.077 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.755 8.449 19.568 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.354 8.277 17.931 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.696 8.017 17.391 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.554 8.947 18.870 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.764 10.733 17.385 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.470 10.454 17.669 1.00 1.34 H new ATOM 0 HE2 LYS A 90 108.865 9.189 15.388 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.898 10.593 15.212 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.255 8.806 14.626 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.710 9.112 16.233 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 110.679 7.811 15.876 1.00 1.58 H new ATOM 1284 N PHE A 91 109.251 5.608 20.646 1.00 1.21 N ATOM 1285 CA PHE A 91 108.061 5.374 21.518 1.00 1.18 C ATOM 1286 C PHE A 91 107.907 6.594 22.424 1.00 1.22 C ATOM 1287 O PHE A 91 108.644 6.782 23.368 1.00 1.34 O ATOM 1288 CB PHE A 91 108.247 4.093 22.340 1.00 1.29 C ATOM 1289 CG PHE A 91 107.166 3.995 23.397 1.00 1.24 C ATOM 1290 CD1 PHE A 91 105.820 3.951 23.014 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.507 3.943 24.758 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.819 3.855 23.986 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.504 3.848 25.729 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.161 3.804 25.342 1.00 1.24 C ATOM 0 H PHE A 91 110.132 5.219 20.982 1.00 1.21 H new ATOM 0 HA PHE A 91 107.161 5.242 20.917 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.208 3.222 21.686 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.230 4.093 22.812 1.00 1.29 H new ATOM 0 HD1 PHE A 91 105.555 3.991 21.968 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.545 3.976 25.056 1.00 1.32 H new ATOM 0 HE1 PHE A 91 103.781 3.820 23.690 1.00 1.22 H new ATOM 0 HE2 PHE A 91 106.767 3.809 26.776 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.386 3.731 26.091 1.00 1.24 H new ATOM 1304 N ASN A 92 106.973 7.448 22.109 1.00 1.15 N ATOM 1305 CA ASN A 92 106.776 8.686 22.912 1.00 1.23 C ATOM 1306 C ASN A 92 107.932 9.653 22.622 1.00 1.32 C ATOM 1307 O ASN A 92 108.385 10.363 23.495 1.00 1.42 O ATOM 1308 CB ASN A 92 106.735 8.345 24.416 1.00 1.32 C ATOM 1309 CG ASN A 92 105.918 9.401 25.170 1.00 1.74 C ATOM 1310 OD1 ASN A 92 104.726 9.521 24.969 1.00 2.32 O ATOM 1311 ND2 ASN A 92 106.516 10.174 26.034 1.00 2.24 N ATOM 0 H ASN A 92 106.333 7.340 21.323 1.00 1.15 H new ATOM 0 HA ASN A 92 105.829 9.152 22.640 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.294 7.359 24.562 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.748 8.303 24.816 1.00 1.32 H new ATOM 0 HD21 ASN A 92 105.983 10.880 26.542 1.00 2.24 H new ATOM 0 HD22 ASN A 92 107.517 10.072 26.202 1.00 2.24 H new ATOM 1318 N ASP A 93 108.403 9.681 21.397 1.00 1.28 N ATOM 1319 CA ASP A 93 109.524 10.598 21.024 1.00 1.37 C ATOM 1320 C ASP A 93 110.867 10.071 21.528 1.00 1.45 C ATOM 1321 O ASP A 93 111.844 10.793 21.529 1.00 1.53 O ATOM 1322 CB ASP A 93 109.290 12.003 21.585 1.00 1.46 C ATOM 1323 CG ASP A 93 107.798 12.336 21.536 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.200 12.137 20.491 1.00 1.92 O ATOM 1325 OD2 ASP A 93 107.278 12.785 22.544 1.00 1.83 O ATOM 0 H ASP A 93 108.054 9.101 20.634 1.00 1.28 H new ATOM 0 HA ASP A 93 109.551 10.644 19.935 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.652 12.060 22.612 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.855 12.734 21.007 1.00 1.46 H new ATOM 1330 N GLU A 94 110.954 8.819 21.920 1.00 1.43 N ATOM 1331 CA GLU A 94 112.274 8.285 22.370 1.00 1.53 C ATOM 1332 C GLU A 94 112.882 7.526 21.188 1.00 1.52 C ATOM 1333 O GLU A 94 112.507 6.412 20.881 1.00 1.48 O ATOM 1334 CB GLU A 94 112.090 7.367 23.588 1.00 1.56 C ATOM 1335 CG GLU A 94 111.385 6.070 23.182 1.00 1.95 C ATOM 1336 CD GLU A 94 110.696 5.446 24.392 1.00 1.88 C ATOM 1337 OE1 GLU A 94 110.110 6.182 25.169 1.00 2.25 O ATOM 1338 OE2 GLU A 94 110.769 4.238 24.513 1.00 2.24 O ATOM 0 H GLU A 94 110.179 8.156 21.947 1.00 1.43 H new ATOM 0 HA GLU A 94 112.939 9.092 22.678 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.061 7.138 24.028 1.00 1.56 H new ATOM 0 HB3 GLU A 94 111.507 7.880 24.353 1.00 1.56 H new ATOM 0 HG2 GLU A 94 110.652 6.274 22.402 1.00 1.95 H new ATOM 0 HG3 GLU A 94 112.108 5.369 22.764 1.00 1.95 H new ATOM 1345 N HIS A 95 113.795 8.147 20.494 1.00 1.59 N ATOM 1346 CA HIS A 95 114.410 7.487 19.310 1.00 1.59 C ATOM 1347 C HIS A 95 115.333 6.364 19.774 1.00 1.71 C ATOM 1348 O HIS A 95 116.411 6.605 20.280 1.00 1.86 O ATOM 1349 CB HIS A 95 115.219 8.518 18.520 1.00 1.65 C ATOM 1350 CG HIS A 95 116.056 9.330 19.471 1.00 1.94 C ATOM 1351 ND1 HIS A 95 115.751 10.398 20.278 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 117.401 9.068 19.682 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 116.886 10.794 20.980 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 117.851 9.961 20.583 1.00 2.88 N flip ATOM 0 H HIS A 95 114.142 9.085 20.697 1.00 1.59 H new ATOM 0 HA HIS A 95 113.626 7.072 18.676 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.858 8.016 17.793 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.549 9.170 17.959 1.00 1.65 H new ATOM 0 HD2 HIS A 95 117.982 8.289 19.210 1.00 2.62 H new ATOM 0 HE1 HIS A 95 116.968 11.601 21.693 1.00 2.68 H new ATOM 0 HE2 HIS A 95 118.813 9.997 20.921 1.00 2.88 H new ATOM 1362 N ILE A 96 114.926 5.138 19.603 1.00 1.67 N ATOM 1363 CA ILE A 96 115.799 4.010 20.038 1.00 1.82 C ATOM 1364 C ILE A 96 117.169 4.157 19.347 1.00 1.88 C ATOM 1365 O ILE A 96 117.226 4.680 18.251 1.00 1.77 O ATOM 1366 CB ILE A 96 115.159 2.682 19.618 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.718 2.763 18.150 1.00 1.98 C ATOM 1368 CG2 ILE A 96 113.944 2.399 20.503 1.00 2.35 C ATOM 1369 CD1 ILE A 96 114.507 1.351 17.600 1.00 2.27 C ATOM 0 H ILE A 96 114.036 4.868 19.185 1.00 1.67 H new ATOM 0 HA ILE A 96 115.921 4.026 21.121 1.00 1.82 H new ATOM 0 HB ILE A 96 115.886 1.878 19.732 1.00 1.82 H new ATOM 0 HG12 ILE A 96 113.796 3.338 18.068 1.00 1.98 H new ATOM 0 HG13 ILE A 96 115.472 3.285 17.561 1.00 1.98 H new ATOM 0 HG21 ILE A 96 113.489 1.455 20.205 1.00 2.35 H new ATOM 0 HG22 ILE A 96 114.259 2.337 21.545 1.00 2.35 H new ATOM 0 HG23 ILE A 96 113.217 3.204 20.391 1.00 2.35 H new ATOM 0 HD11 ILE A 96 114.194 1.410 16.558 1.00 2.27 H new ATOM 0 HD12 ILE A 96 115.440 0.791 17.668 1.00 2.27 H new ATOM 0 HD13 ILE A 96 113.737 0.845 18.182 1.00 2.27 H new ATOM 1381 N PRO A 97 118.240 3.694 19.979 1.00 2.08 N ATOM 1382 CA PRO A 97 119.582 3.790 19.370 1.00 2.18 C ATOM 1383 C PRO A 97 119.548 3.158 17.970 1.00 2.06 C ATOM 1384 O PRO A 97 119.904 2.014 17.779 1.00 2.32 O ATOM 1385 CB PRO A 97 120.518 3.022 20.337 1.00 2.43 C ATOM 1386 CG PRO A 97 119.647 2.521 21.527 1.00 2.48 C ATOM 1387 CD PRO A 97 118.211 3.052 21.312 1.00 2.25 C ATOM 0 HA PRO A 97 119.927 4.816 19.238 1.00 2.18 H new ATOM 0 HB2 PRO A 97 120.991 2.183 19.828 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.318 3.671 20.693 1.00 2.43 H new ATOM 0 HG2 PRO A 97 119.650 1.432 21.572 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.050 2.880 22.474 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.481 2.243 21.345 1.00 2.25 H new ATOM 0 HD3 PRO A 97 117.933 3.765 22.088 1.00 2.25 H new ATOM 1395 N ASP A 98 119.098 3.907 17.002 1.00 2.10 N ATOM 1396 CA ASP A 98 118.998 3.391 15.607 1.00 1.98 C ATOM 1397 C ASP A 98 118.327 4.460 14.756 1.00 1.76 C ATOM 1398 O ASP A 98 118.898 4.971 13.814 1.00 1.73 O ATOM 1399 CB ASP A 98 118.148 2.095 15.588 1.00 1.95 C ATOM 1400 CG ASP A 98 119.055 0.859 15.633 1.00 2.28 C ATOM 1401 OD1 ASP A 98 119.993 0.807 14.854 1.00 2.64 O ATOM 1402 OD2 ASP A 98 118.795 -0.013 16.445 1.00 2.65 O ATOM 0 H ASP A 98 118.790 4.872 17.121 1.00 2.10 H new ATOM 0 HA ASP A 98 119.989 3.163 15.215 1.00 1.98 H new ATOM 0 HB2 ASP A 98 117.468 2.086 16.440 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.532 2.070 14.689 1.00 1.95 H new ATOM 1407 N SER A 99 117.105 4.773 15.060 1.00 1.67 N ATOM 1408 CA SER A 99 116.372 5.777 14.249 1.00 1.48 C ATOM 1409 C SER A 99 117.124 7.123 14.265 1.00 1.62 C ATOM 1410 O SER A 99 117.579 7.531 15.316 1.00 1.87 O ATOM 1411 CB SER A 99 114.979 5.967 14.856 1.00 1.48 C ATOM 1412 OG SER A 99 114.132 4.909 14.426 1.00 2.00 O ATOM 0 H SER A 99 116.579 4.376 15.838 1.00 1.67 H new ATOM 0 HA SER A 99 116.294 5.430 13.219 1.00 1.48 H new ATOM 0 HB2 SER A 99 115.042 5.979 15.944 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.564 6.928 14.550 1.00 1.48 H new ATOM 0 HG SER A 99 114.190 4.165 15.061 1.00 2.00 H new ATOM 1418 N PRO A 100 117.210 7.824 13.136 1.00 1.55 N ATOM 1419 CA PRO A 100 116.687 7.414 11.799 1.00 1.33 C ATOM 1420 C PRO A 100 117.765 6.598 11.044 1.00 1.33 C ATOM 1421 O PRO A 100 118.796 7.142 10.703 1.00 1.47 O ATOM 1422 CB PRO A 100 116.475 8.762 11.075 1.00 1.43 C ATOM 1423 CG PRO A 100 117.346 9.815 11.819 1.00 1.74 C ATOM 1424 CD PRO A 100 117.824 9.164 13.137 1.00 1.79 C ATOM 0 HA PRO A 100 115.788 6.801 11.859 1.00 1.33 H new ATOM 0 HB2 PRO A 100 116.768 8.688 10.028 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.424 9.049 11.092 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.197 10.113 11.206 1.00 1.74 H new ATOM 0 HG3 PRO A 100 116.769 10.717 12.023 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.911 9.101 13.176 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.507 9.744 14.003 1.00 1.79 H new ATOM 1432 N PHE A 101 117.549 5.322 10.756 1.00 1.25 N ATOM 1433 CA PHE A 101 118.599 4.538 9.993 1.00 1.36 C ATOM 1434 C PHE A 101 118.075 4.175 8.606 1.00 1.24 C ATOM 1435 O PHE A 101 116.910 4.336 8.304 1.00 1.16 O ATOM 1436 CB PHE A 101 118.997 3.258 10.737 1.00 1.55 C ATOM 1437 CG PHE A 101 117.796 2.387 11.008 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.046 2.605 12.152 1.00 1.50 C ATOM 1439 CD2 PHE A 101 117.460 1.342 10.142 1.00 1.78 C ATOM 1440 CE1 PHE A 101 115.956 1.797 12.452 1.00 1.83 C ATOM 1441 CE2 PHE A 101 116.359 0.526 10.433 1.00 2.18 C ATOM 1442 CZ PHE A 101 115.606 0.754 11.591 1.00 2.19 C ATOM 0 H PHE A 101 116.711 4.799 11.009 1.00 1.25 H new ATOM 0 HA PHE A 101 119.482 5.170 9.902 1.00 1.36 H new ATOM 0 HB2 PHE A 101 119.726 2.703 10.146 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.481 3.517 11.679 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.311 3.412 12.818 1.00 1.50 H new ATOM 0 HD2 PHE A 101 118.047 1.165 9.253 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.381 1.975 13.349 1.00 1.83 H new ATOM 0 HE2 PHE A 101 116.091 -0.279 9.764 1.00 2.18 H new ATOM 0 HZ PHE A 101 114.757 0.126 11.818 1.00 2.19 H new ATOM 1452 N VAL A 102 118.945 3.703 7.748 1.00 1.28 N ATOM 1453 CA VAL A 102 118.528 3.344 6.360 1.00 1.21 C ATOM 1454 C VAL A 102 118.184 1.852 6.265 1.00 1.23 C ATOM 1455 O VAL A 102 118.706 1.032 6.994 1.00 1.34 O ATOM 1456 CB VAL A 102 119.675 3.659 5.395 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.931 2.895 5.820 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.280 3.239 3.977 1.00 1.29 C ATOM 0 H VAL A 102 119.933 3.550 7.952 1.00 1.28 H new ATOM 0 HA VAL A 102 117.643 3.924 6.098 1.00 1.21 H new ATOM 0 HB VAL A 102 119.879 4.730 5.415 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.745 3.121 5.131 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.215 3.195 6.829 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.729 1.824 5.803 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.096 3.463 3.290 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.074 2.169 3.959 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.388 3.785 3.671 1.00 1.29 H new ATOM 1468 N VAL A 103 117.313 1.505 5.350 1.00 1.15 N ATOM 1469 CA VAL A 103 116.911 0.075 5.150 1.00 1.19 C ATOM 1470 C VAL A 103 117.116 -0.272 3.660 1.00 1.19 C ATOM 1471 O VAL A 103 116.208 -0.113 2.873 1.00 1.10 O ATOM 1472 CB VAL A 103 115.429 -0.079 5.512 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.935 -1.475 5.108 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.258 0.102 7.024 1.00 1.14 C ATOM 0 H VAL A 103 116.854 2.164 4.721 1.00 1.15 H new ATOM 0 HA VAL A 103 117.507 -0.588 5.778 1.00 1.19 H new ATOM 0 HB VAL A 103 114.848 0.674 4.980 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.881 -1.578 5.368 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.058 -1.607 4.033 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.514 -2.233 5.636 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.206 -0.007 7.287 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.843 -0.653 7.549 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.604 1.095 7.313 1.00 1.14 H new ATOM 1484 N PRO A 104 118.312 -0.692 3.292 1.00 1.29 N ATOM 1485 CA PRO A 104 118.618 -1.002 1.879 1.00 1.30 C ATOM 1486 C PRO A 104 117.737 -2.140 1.329 1.00 1.33 C ATOM 1487 O PRO A 104 117.861 -3.288 1.714 1.00 1.44 O ATOM 1488 CB PRO A 104 120.117 -1.394 1.872 1.00 1.42 C ATOM 1489 CG PRO A 104 120.655 -1.207 3.320 1.00 1.49 C ATOM 1490 CD PRO A 104 119.445 -0.887 4.224 1.00 1.41 C ATOM 0 HA PRO A 104 118.412 -0.150 1.231 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.242 -2.427 1.547 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.673 -0.770 1.173 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.161 -2.110 3.661 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.386 -0.399 3.357 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.247 -1.701 4.921 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.624 0.007 4.821 1.00 1.41 H new ATOM 1498 N VAL A 105 116.876 -1.821 0.395 1.00 1.25 N ATOM 1499 CA VAL A 105 116.012 -2.860 -0.238 1.00 1.29 C ATOM 1500 C VAL A 105 116.739 -3.321 -1.511 1.00 1.35 C ATOM 1501 O VAL A 105 117.426 -2.535 -2.146 1.00 1.31 O ATOM 1502 CB VAL A 105 114.653 -2.230 -0.566 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.800 -3.166 -1.434 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.912 -1.940 0.737 1.00 1.15 C ATOM 0 H VAL A 105 116.735 -0.875 0.042 1.00 1.25 H new ATOM 0 HA VAL A 105 115.837 -3.714 0.416 1.00 1.29 H new ATOM 0 HB VAL A 105 114.825 -1.309 -1.123 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.843 -2.691 -1.649 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.322 -3.371 -2.369 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.629 -4.101 -0.901 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.944 -1.492 0.513 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.763 -2.870 1.286 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.499 -1.251 1.344 1.00 1.15 H new ATOM 1514 N ALA A 106 116.637 -4.589 -1.867 1.00 1.46 N ATOM 1515 CA ALA A 106 117.375 -5.104 -3.074 1.00 1.53 C ATOM 1516 C ALA A 106 116.492 -6.034 -3.940 1.00 1.59 C ATOM 1517 O ALA A 106 115.787 -6.887 -3.457 1.00 1.66 O ATOM 1518 CB ALA A 106 118.603 -5.880 -2.576 1.00 1.67 C ATOM 0 H ALA A 106 116.077 -5.285 -1.375 1.00 1.46 H new ATOM 0 HA ALA A 106 117.664 -4.259 -3.700 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.160 -6.267 -3.430 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.243 -5.215 -1.996 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.279 -6.710 -1.948 1.00 1.67 H new ATOM 1524 N SER A 107 116.559 -5.873 -5.231 1.00 1.59 N ATOM 1525 CA SER A 107 115.775 -6.725 -6.177 1.00 1.67 C ATOM 1526 C SER A 107 116.769 -7.613 -6.914 1.00 1.81 C ATOM 1527 O SER A 107 117.025 -7.440 -8.089 1.00 1.83 O ATOM 1528 CB SER A 107 115.043 -5.839 -7.187 1.00 1.60 C ATOM 1529 OG SER A 107 114.082 -6.619 -7.886 1.00 2.04 O ATOM 0 H SER A 107 117.140 -5.168 -5.685 1.00 1.59 H new ATOM 0 HA SER A 107 115.039 -7.321 -5.638 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.553 -5.011 -6.674 1.00 1.60 H new ATOM 0 HB3 SER A 107 115.754 -5.403 -7.888 1.00 1.60 H new ATOM 0 HG SER A 107 113.610 -6.054 -8.533 1.00 2.04 H new ATOM 1535 N LEU A 108 117.362 -8.529 -6.205 1.00 1.98 N ATOM 1536 CA LEU A 108 118.394 -9.421 -6.809 1.00 2.16 C ATOM 1537 C LEU A 108 119.703 -8.630 -6.820 1.00 2.13 C ATOM 1538 O LEU A 108 120.753 -9.122 -7.183 1.00 2.33 O ATOM 1539 CB LEU A 108 117.986 -9.836 -8.243 1.00 2.25 C ATOM 1540 CG LEU A 108 118.500 -11.258 -8.557 1.00 2.76 C ATOM 1541 CD1 LEU A 108 117.528 -12.308 -8.000 1.00 3.20 C ATOM 1542 CD2 LEU A 108 118.616 -11.444 -10.074 1.00 3.20 C ATOM 0 H LEU A 108 117.174 -8.702 -5.217 1.00 1.98 H new ATOM 0 HA LEU A 108 118.502 -10.341 -6.234 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.901 -9.804 -8.343 1.00 2.25 H new ATOM 0 HB3 LEU A 108 118.394 -9.127 -8.964 1.00 2.25 H new ATOM 0 HG LEU A 108 119.478 -11.385 -8.092 1.00 2.76 H new ATOM 0 HD11 LEU A 108 117.901 -13.306 -8.228 1.00 3.20 H new ATOM 0 HD12 LEU A 108 117.444 -12.190 -6.920 1.00 3.20 H new ATOM 0 HD13 LEU A 108 116.547 -12.174 -8.457 1.00 3.20 H new ATOM 0 HD21 LEU A 108 118.979 -12.449 -10.291 1.00 3.20 H new ATOM 0 HD22 LEU A 108 117.637 -11.305 -10.534 1.00 3.20 H new ATOM 0 HD23 LEU A 108 119.314 -10.711 -10.478 1.00 3.20 H new ATOM 1554 N SER A 109 119.623 -7.397 -6.396 1.00 1.93 N ATOM 1555 CA SER A 109 120.821 -6.520 -6.335 1.00 1.92 C ATOM 1556 C SER A 109 121.614 -6.855 -5.074 1.00 2.00 C ATOM 1557 O SER A 109 122.812 -6.664 -5.011 1.00 2.09 O ATOM 1558 CB SER A 109 120.361 -5.063 -6.307 1.00 1.77 C ATOM 1559 OG SER A 109 119.266 -4.905 -7.200 1.00 2.06 O ATOM 0 H SER A 109 118.758 -6.955 -6.084 1.00 1.93 H new ATOM 0 HA SER A 109 121.458 -6.676 -7.206 1.00 1.92 H new ATOM 0 HB2 SER A 109 120.066 -4.781 -5.296 1.00 1.77 H new ATOM 0 HB3 SER A 109 121.180 -4.404 -6.596 1.00 1.77 H new ATOM 0 HG SER A 109 118.964 -3.973 -7.186 1.00 2.06 H new ATOM 1565 N ASP A 110 120.951 -7.349 -4.061 1.00 1.99 N ATOM 1566 CA ASP A 110 121.662 -7.693 -2.795 1.00 2.10 C ATOM 1567 C ASP A 110 122.561 -6.523 -2.402 1.00 2.06 C ATOM 1568 O ASP A 110 123.456 -6.650 -1.590 1.00 2.19 O ATOM 1569 CB ASP A 110 122.510 -8.947 -3.010 1.00 2.32 C ATOM 1570 CG ASP A 110 121.627 -10.069 -3.560 1.00 2.37 C ATOM 1571 OD1 ASP A 110 120.433 -10.034 -3.306 1.00 2.85 O ATOM 1572 OD2 ASP A 110 122.158 -10.943 -4.224 1.00 2.61 O ATOM 0 H ASP A 110 119.947 -7.529 -4.056 1.00 1.99 H new ATOM 0 HA ASP A 110 120.939 -7.884 -2.002 1.00 2.10 H new ATOM 0 HB2 ASP A 110 123.323 -8.735 -3.705 1.00 2.32 H new ATOM 0 HB3 ASP A 110 122.967 -9.256 -2.070 1.00 2.32 H new ATOM 1836 N ARG B 8 113.760 11.057 -2.433 1.00 0.48 N ATOM 1837 CA ARG B 8 112.935 9.855 -2.746 1.00 0.50 C ATOM 1838 C ARG B 8 111.506 10.103 -2.265 1.00 0.48 C ATOM 1839 O ARG B 8 111.263 10.975 -1.455 1.00 0.96 O ATOM 1840 CB ARG B 8 113.531 8.636 -2.023 1.00 0.67 C ATOM 1841 CG ARG B 8 115.062 8.755 -2.014 1.00 0.80 C ATOM 1842 CD ARG B 8 115.717 7.398 -1.682 1.00 1.18 C ATOM 1843 NE ARG B 8 116.849 7.608 -0.722 1.00 1.76 N ATOM 1844 CZ ARG B 8 117.750 8.534 -0.927 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.758 9.216 -2.039 1.00 3.04 N ATOM 1846 NH2 ARG B 8 118.670 8.753 -0.028 1.00 2.64 N ATOM 0 HA ARG B 8 112.929 9.666 -3.819 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.152 8.582 -1.002 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.228 7.717 -2.524 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.410 9.103 -2.987 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.369 9.501 -1.281 1.00 0.80 H new ATOM 0 HD2 ARG B 8 114.979 6.723 -1.248 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.083 6.926 -2.594 1.00 1.18 H new ATOM 0 HE ARG B 8 116.918 7.018 0.107 1.00 1.76 H new ATOM 0 HH11 ARG B 8 117.058 9.029 -2.757 1.00 3.04 H new ATOM 0 HH12 ARG B 8 118.464 9.936 -2.190 1.00 3.04 H new ATOM 0 HH21 ARG B 8 118.685 8.203 0.831 1.00 2.64 H new ATOM 0 HH22 ARG B 8 119.374 9.474 -0.184 1.00 2.64 H new ATOM 1860 N VAL B 9 110.557 9.345 -2.744 1.00 0.42 N ATOM 1861 CA VAL B 9 109.152 9.550 -2.291 1.00 0.36 C ATOM 1862 C VAL B 9 109.145 9.610 -0.757 1.00 0.28 C ATOM 1863 O VAL B 9 110.075 9.168 -0.111 1.00 0.38 O ATOM 1864 CB VAL B 9 108.281 8.389 -2.803 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.002 8.257 -1.963 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.895 8.647 -4.263 1.00 0.66 C ATOM 0 H VAL B 9 110.692 8.598 -3.425 1.00 0.42 H new ATOM 0 HA VAL B 9 108.746 10.481 -2.687 1.00 0.36 H new ATOM 0 HB VAL B 9 108.854 7.465 -2.722 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.401 7.430 -2.342 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.268 8.065 -0.923 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.428 9.182 -2.026 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.278 7.825 -4.627 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.335 9.580 -4.332 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.797 8.720 -4.870 1.00 0.66 H new ATOM 1876 N ALA B 10 108.117 10.173 -0.178 1.00 0.27 N ATOM 1877 CA ALA B 10 108.049 10.295 1.316 1.00 0.35 C ATOM 1878 C ALA B 10 106.853 9.512 1.856 1.00 0.26 C ATOM 1879 O ALA B 10 105.936 9.174 1.135 1.00 0.40 O ATOM 1880 CB ALA B 10 107.892 11.770 1.691 1.00 0.58 C ATOM 0 H ALA B 10 107.314 10.557 -0.676 1.00 0.27 H new ATOM 0 HA ALA B 10 108.964 9.891 1.749 1.00 0.35 H new ATOM 0 HB1 ALA B 10 107.842 11.866 2.776 1.00 0.58 H new ATOM 0 HB2 ALA B 10 108.746 12.334 1.316 1.00 0.58 H new ATOM 0 HB3 ALA B 10 106.976 12.162 1.249 1.00 0.58 H new ATOM 1886 N SER B 11 106.863 9.225 3.130 1.00 0.23 N ATOM 1887 CA SER B 11 105.736 8.465 3.743 1.00 0.22 C ATOM 1888 C SER B 11 105.641 8.820 5.228 1.00 0.23 C ATOM 1889 O SER B 11 106.640 8.984 5.900 1.00 0.30 O ATOM 1890 CB SER B 11 105.996 6.969 3.589 1.00 0.36 C ATOM 1891 OG SER B 11 105.793 6.597 2.237 1.00 1.19 O ATOM 0 H SER B 11 107.608 9.486 3.776 1.00 0.23 H new ATOM 0 HA SER B 11 104.801 8.723 3.246 1.00 0.22 H new ATOM 0 HB2 SER B 11 107.015 6.732 3.895 1.00 0.36 H new ATOM 0 HB3 SER B 11 105.328 6.403 4.238 1.00 0.36 H new ATOM 0 HG SER B 11 105.665 7.401 1.692 1.00 1.19 H new ATOM 1897 N SER B 12 104.446 8.945 5.750 1.00 0.27 N ATOM 1898 CA SER B 12 104.291 9.298 7.194 1.00 0.35 C ATOM 1899 C SER B 12 103.066 8.590 7.778 1.00 0.31 C ATOM 1900 O SER B 12 101.939 8.886 7.433 1.00 0.41 O ATOM 1901 CB SER B 12 104.116 10.811 7.327 1.00 0.52 C ATOM 1902 OG SER B 12 105.230 11.466 6.735 1.00 1.38 O ATOM 0 H SER B 12 103.572 8.818 5.239 1.00 0.27 H new ATOM 0 HA SER B 12 105.179 8.979 7.739 1.00 0.35 H new ATOM 0 HB2 SER B 12 103.193 11.126 6.840 1.00 0.52 H new ATOM 0 HB3 SER B 12 104.033 11.088 8.378 1.00 0.52 H new ATOM 0 HG SER B 12 105.120 12.436 6.817 1.00 1.38 H new ATOM 1908 N VAL B 13 103.284 7.661 8.667 1.00 0.27 N ATOM 1909 CA VAL B 13 102.150 6.927 9.292 1.00 0.27 C ATOM 1910 C VAL B 13 102.634 6.298 10.597 1.00 0.32 C ATOM 1911 O VAL B 13 103.825 6.244 10.862 1.00 0.41 O ATOM 1912 CB VAL B 13 101.661 5.835 8.340 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.848 4.982 7.885 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.631 4.944 9.046 1.00 0.41 C ATOM 0 H VAL B 13 104.209 7.377 8.990 1.00 0.27 H new ATOM 0 HA VAL B 13 101.328 7.613 9.496 1.00 0.27 H new ATOM 0 HB VAL B 13 101.194 6.303 7.473 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.498 4.204 7.206 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.573 5.613 7.371 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.319 4.521 8.753 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.289 4.169 8.360 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.090 4.479 9.919 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.782 5.550 9.362 1.00 0.41 H new ATOM 1924 N PHE B 14 101.730 5.823 11.418 1.00 0.36 N ATOM 1925 CA PHE B 14 102.168 5.202 12.700 1.00 0.45 C ATOM 1926 C PHE B 14 100.991 4.631 13.498 1.00 0.34 C ATOM 1927 O PHE B 14 99.880 4.530 13.019 1.00 0.35 O ATOM 1928 CB PHE B 14 102.862 6.245 13.562 1.00 0.59 C ATOM 1929 CG PHE B 14 101.874 7.278 14.059 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.288 8.173 13.158 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.558 7.352 15.422 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.385 9.137 13.617 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.657 8.317 15.881 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.069 9.210 14.979 1.00 1.54 C ATOM 0 H PHE B 14 100.723 5.839 11.257 1.00 0.36 H new ATOM 0 HA PHE B 14 102.845 4.386 12.446 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.344 5.759 14.410 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.647 6.734 12.986 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.533 8.120 12.108 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.011 6.663 16.119 1.00 1.40 H new ATOM 0 HE1 PHE B 14 99.931 9.826 12.920 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.415 8.373 16.932 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.372 9.955 15.333 1.00 1.54 H new ATOM 1944 N ILE B 15 101.254 4.266 14.737 1.00 0.34 N ATOM 1945 CA ILE B 15 100.191 3.698 15.625 1.00 0.33 C ATOM 1946 C ILE B 15 100.407 4.229 17.056 1.00 0.31 C ATOM 1947 O ILE B 15 101.459 4.752 17.381 1.00 0.58 O ATOM 1948 CB ILE B 15 100.273 2.150 15.636 1.00 0.51 C ATOM 1949 CG1 ILE B 15 100.714 1.609 14.258 1.00 0.62 C ATOM 1950 CG2 ILE B 15 98.905 1.557 15.996 1.00 0.83 C ATOM 1951 CD1 ILE B 15 99.635 1.847 13.187 1.00 1.25 C ATOM 0 H ILE B 15 102.174 4.341 15.172 1.00 0.34 H new ATOM 0 HA ILE B 15 99.211 3.996 15.253 1.00 0.33 H new ATOM 0 HB ILE B 15 101.012 1.856 16.381 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.642 2.094 13.955 1.00 0.62 H new ATOM 0 HG13 ILE B 15 100.923 0.542 14.335 1.00 0.62 H new ATOM 0 HG21 ILE B 15 98.970 0.469 16.002 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.605 1.908 16.983 1.00 0.83 H new ATOM 0 HG23 ILE B 15 98.166 1.872 15.259 1.00 0.83 H new ATOM 0 HD11 ILE B 15 99.979 1.454 12.230 1.00 1.25 H new ATOM 0 HD12 ILE B 15 98.715 1.340 13.478 1.00 1.25 H new ATOM 0 HD13 ILE B 15 99.445 2.916 13.093 1.00 1.25 H new ATOM 1963 N THR B 16 99.420 4.091 17.913 1.00 0.35 N ATOM 1964 CA THR B 16 99.553 4.580 19.328 1.00 0.47 C ATOM 1965 C THR B 16 99.382 3.406 20.298 1.00 0.31 C ATOM 1966 O THR B 16 98.511 2.576 20.133 1.00 0.35 O ATOM 1967 CB THR B 16 98.470 5.626 19.604 1.00 0.75 C ATOM 1968 OG1 THR B 16 97.190 5.050 19.381 1.00 1.61 O ATOM 1969 CG2 THR B 16 98.666 6.821 18.670 1.00 1.40 C ATOM 0 H THR B 16 98.523 3.658 17.693 1.00 0.35 H new ATOM 0 HA THR B 16 100.539 5.023 19.467 1.00 0.47 H new ATOM 0 HB THR B 16 98.541 5.961 20.639 1.00 0.75 H new ATOM 0 HG1 THR B 16 96.495 5.718 19.559 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.895 7.566 18.866 1.00 1.40 H new ATOM 0 HG22 THR B 16 99.648 7.261 18.843 1.00 1.40 H new ATOM 0 HG23 THR B 16 98.595 6.489 17.634 1.00 1.40 H new ATOM 1977 N LEU B 17 100.215 3.331 21.311 1.00 0.39 N ATOM 1978 CA LEU B 17 100.116 2.210 22.303 1.00 0.44 C ATOM 1979 C LEU B 17 99.469 2.713 23.599 1.00 0.31 C ATOM 1980 O LEU B 17 99.726 3.813 24.049 1.00 0.54 O ATOM 1981 CB LEU B 17 101.521 1.679 22.622 1.00 0.72 C ATOM 1982 CG LEU B 17 102.357 1.617 21.344 1.00 0.83 C ATOM 1983 CD1 LEU B 17 103.731 1.026 21.663 1.00 1.06 C ATOM 1984 CD2 LEU B 17 101.650 0.734 20.312 1.00 1.32 C ATOM 0 H LEU B 17 100.962 4.001 21.494 1.00 0.39 H new ATOM 0 HA LEU B 17 99.506 1.414 21.876 1.00 0.44 H new ATOM 0 HB2 LEU B 17 102.006 2.326 23.353 1.00 0.72 H new ATOM 0 HB3 LEU B 17 101.451 0.688 23.070 1.00 0.72 H new ATOM 0 HG LEU B 17 102.477 2.622 20.940 1.00 0.83 H new ATOM 0 HD11 LEU B 17 104.328 0.981 20.752 1.00 1.06 H new ATOM 0 HD12 LEU B 17 104.236 1.654 22.397 1.00 1.06 H new ATOM 0 HD13 LEU B 17 103.610 0.021 22.067 1.00 1.06 H new ATOM 0 HD21 LEU B 17 102.247 0.690 19.401 1.00 1.32 H new ATOM 0 HD22 LEU B 17 101.529 -0.271 20.715 1.00 1.32 H new ATOM 0 HD23 LEU B 17 100.670 1.154 20.084 1.00 1.32 H new