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 60:sc= 0.908 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -150:sc= -0.0539 (180deg=-2.94!) USER MOD Set 2.1: A 40 SER OG : rot 52:sc= 1.25 USER MOD Set 2.2: A 72 SER OG : rot 173:sc= 1.49! USER MOD Set 3.1: A 20 LYS NZ :NH3+ -108:sc= -1.82! (180deg=-2.85!) USER MOD Set 3.2: A 43 THR OG1 : rot -170:sc= 0.573 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 122:sc= -2.18 USER MOD Single : A 59 SER OG : rot -104:sc= -1.05 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc=-0.00389 (180deg=-0.15) USER MOD Single : A 73 CYS SG : rot 180:sc= 0.00629 USER MOD Single : A 76 SER OG : rot 180:sc= -0.84 USER MOD Single : A 77 TYR OH : rot 35:sc= 0.421 USER MOD Single : A 80 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.12) USER MOD Single : A 85 TYR OH : rot -145:sc= -2.18 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -1.78 F(o=-4.1!,f=-1.8) USER MOD Single : A 99 SER OG : rot 50:sc= -0.427 USER MOD Single : A 107 SER OG : rot 180:sc= -5.64! USER MOD Single : A 109 SER OG : rot 180:sc= 0.0028 USER MOD Single : B 11 SER OG : rot 180:sc= -1.58! USER MOD Single : B 12 SER OG : rot 180:sc= -0.0311 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 115.075 6.022 29.441 1.00 2.21 N ATOM 228 CA GLY A 16 113.610 5.872 29.242 1.00 2.06 C ATOM 229 C GLY A 16 113.307 4.511 28.611 1.00 1.98 C ATOM 230 O GLY A 16 114.070 3.575 28.736 1.00 2.44 O ATOM 0 HA2 GLY A 16 113.093 5.963 30.197 1.00 2.06 H new ATOM 0 HA3 GLY A 16 113.238 6.671 28.601 1.00 2.06 H new ATOM 234 N GLY A 17 112.194 4.394 27.938 1.00 1.81 N ATOM 235 CA GLY A 17 111.838 3.094 27.306 1.00 1.74 C ATOM 236 C GLY A 17 112.800 2.794 26.157 1.00 1.78 C ATOM 237 O GLY A 17 112.874 1.681 25.677 1.00 1.80 O ATOM 0 H GLY A 17 111.516 5.144 27.799 1.00 1.81 H new ATOM 0 HA2 GLY A 17 111.882 2.295 28.047 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.814 3.128 26.935 1.00 1.74 H new ATOM 241 N ALA A 18 113.529 3.783 25.707 1.00 1.84 N ATOM 242 CA ALA A 18 114.485 3.568 24.583 1.00 1.96 C ATOM 243 C ALA A 18 115.256 2.260 24.799 1.00 2.07 C ATOM 244 O ALA A 18 115.858 1.725 23.889 1.00 2.21 O ATOM 245 CB ALA A 18 115.472 4.754 24.517 1.00 2.09 C ATOM 0 H ALA A 18 113.502 4.735 26.073 1.00 1.84 H new ATOM 0 HA ALA A 18 113.934 3.503 23.645 1.00 1.96 H new ATOM 0 HB1 ALA A 18 116.172 4.599 23.696 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.919 5.679 24.353 1.00 2.09 H new ATOM 0 HB3 ALA A 18 116.022 4.822 25.455 1.00 2.09 H new ATOM 251 N HIS A 19 115.252 1.754 26.005 1.00 2.06 N ATOM 252 CA HIS A 19 115.994 0.494 26.302 1.00 2.21 C ATOM 253 C HIS A 19 115.029 -0.701 26.332 1.00 2.15 C ATOM 254 O HIS A 19 115.250 -1.700 25.675 1.00 2.33 O ATOM 255 CB HIS A 19 116.673 0.642 27.667 1.00 2.33 C ATOM 256 CG HIS A 19 117.272 -0.672 28.090 1.00 2.51 C ATOM 257 ND1 HIS A 19 117.024 -1.231 29.334 1.00 2.79 N ATOM 258 CD2 HIS A 19 118.109 -1.548 27.446 1.00 2.86 C ATOM 259 CE1 HIS A 19 117.700 -2.393 29.398 1.00 2.87 C ATOM 260 NE2 HIS A 19 118.378 -2.634 28.273 1.00 2.87 N ATOM 0 H HIS A 19 114.763 2.163 26.801 1.00 2.06 H new ATOM 0 HA HIS A 19 116.738 0.316 25.526 1.00 2.21 H new ATOM 0 HB2 HIS A 19 117.450 1.405 27.615 1.00 2.33 H new ATOM 0 HB3 HIS A 19 115.947 0.976 28.409 1.00 2.33 H new ATOM 0 HD2 HIS A 19 118.500 -1.415 26.448 1.00 2.86 H new ATOM 0 HE1 HIS A 19 117.695 -3.050 30.255 1.00 2.87 H new ATOM 0 HE2 HIS A 19 118.966 -3.441 28.065 1.00 2.87 H new ATOM 268 N LYS A 20 113.972 -0.619 27.096 1.00 2.02 N ATOM 269 CA LYS A 20 113.018 -1.766 27.165 1.00 2.01 C ATOM 270 C LYS A 20 112.362 -1.979 25.801 1.00 1.90 C ATOM 271 O LYS A 20 111.816 -3.029 25.524 1.00 1.96 O ATOM 272 CB LYS A 20 111.947 -1.489 28.232 1.00 1.99 C ATOM 273 CG LYS A 20 111.004 -0.343 27.784 1.00 1.81 C ATOM 274 CD LYS A 20 109.689 -0.914 27.225 1.00 1.74 C ATOM 275 CE LYS A 20 108.965 0.158 26.401 1.00 1.58 C ATOM 276 NZ LYS A 20 107.532 -0.219 26.247 1.00 1.94 N ATOM 0 H LYS A 20 113.728 0.187 27.672 1.00 2.02 H new ATOM 0 HA LYS A 20 113.562 -2.670 27.438 1.00 2.01 H new ATOM 0 HB2 LYS A 20 111.366 -2.393 28.414 1.00 1.99 H new ATOM 0 HB3 LYS A 20 112.427 -1.224 29.174 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.793 0.313 28.629 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.496 0.264 27.024 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.895 -1.785 26.604 1.00 1.74 H new ATOM 0 HD3 LYS A 20 109.051 -1.250 28.043 1.00 1.74 H new ATOM 0 HE2 LYS A 20 109.046 1.127 26.893 1.00 1.58 H new ATOM 0 HE3 LYS A 20 109.433 0.257 25.422 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 107.355 -0.518 25.267 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 107.308 -1.002 26.894 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.931 0.600 26.473 1.00 1.94 H new ATOM 290 N VAL A 21 112.415 -1.002 24.941 1.00 1.80 N ATOM 291 CA VAL A 21 111.798 -1.172 23.596 1.00 1.71 C ATOM 292 C VAL A 21 112.662 -2.130 22.774 1.00 1.76 C ATOM 293 O VAL A 21 113.801 -1.845 22.460 1.00 1.81 O ATOM 294 CB VAL A 21 111.696 0.197 22.902 1.00 1.64 C ATOM 295 CG1 VAL A 21 113.087 0.677 22.457 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.771 0.086 21.683 1.00 1.75 C ATOM 0 H VAL A 21 112.856 -0.098 25.109 1.00 1.80 H new ATOM 0 HA VAL A 21 110.795 -1.587 23.690 1.00 1.71 H new ATOM 0 HB VAL A 21 111.286 0.921 23.606 1.00 1.64 H new ATOM 0 HG11 VAL A 21 112.998 1.647 21.968 1.00 2.07 H new ATOM 0 HG12 VAL A 21 113.736 0.768 23.328 1.00 2.07 H new ATOM 0 HG13 VAL A 21 113.515 -0.043 21.760 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.699 1.056 21.191 1.00 1.75 H new ATOM 0 HG22 VAL A 21 111.176 -0.646 20.984 1.00 1.75 H new ATOM 0 HG23 VAL A 21 109.780 -0.232 22.006 1.00 1.75 H new ATOM 306 N ARG A 22 112.131 -3.281 22.447 1.00 1.78 N ATOM 307 CA ARG A 22 112.910 -4.291 21.664 1.00 1.85 C ATOM 308 C ARG A 22 112.343 -4.410 20.248 1.00 1.74 C ATOM 309 O ARG A 22 111.148 -4.503 20.049 1.00 1.66 O ATOM 310 CB ARG A 22 112.801 -5.645 22.370 1.00 1.96 C ATOM 311 CG ARG A 22 113.484 -6.747 21.539 1.00 2.03 C ATOM 312 CD ARG A 22 114.932 -6.356 21.212 1.00 2.18 C ATOM 313 NE ARG A 22 115.547 -5.652 22.374 1.00 2.75 N ATOM 314 CZ ARG A 22 116.843 -5.514 22.438 1.00 3.10 C ATOM 315 NH1 ARG A 22 117.598 -5.989 21.486 1.00 3.50 N ATOM 316 NH2 ARG A 22 117.384 -4.899 23.455 1.00 3.33 N ATOM 0 H ARG A 22 111.183 -3.568 22.691 1.00 1.78 H new ATOM 0 HA ARG A 22 113.953 -3.980 21.600 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.264 -5.586 23.355 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.752 -5.897 22.525 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.471 -7.687 22.091 1.00 2.03 H new ATOM 0 HG3 ARG A 22 112.928 -6.911 20.616 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.511 -7.247 20.968 1.00 2.18 H new ATOM 0 HD3 ARG A 22 114.953 -5.711 20.333 1.00 2.18 H new ATOM 0 HE ARG A 22 114.956 -5.279 23.117 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.175 -6.469 20.691 1.00 3.50 H new ATOM 0 HH12 ARG A 22 118.611 -5.881 21.537 1.00 3.50 H new ATOM 0 HH21 ARG A 22 116.794 -4.527 24.199 1.00 3.33 H new ATOM 0 HH22 ARG A 22 118.397 -4.791 23.506 1.00 3.33 H new ATOM 330 N ALA A 23 113.203 -4.424 19.265 1.00 1.77 N ATOM 331 CA ALA A 23 112.746 -4.556 17.850 1.00 1.68 C ATOM 332 C ALA A 23 113.740 -5.446 17.103 1.00 1.77 C ATOM 333 O ALA A 23 114.887 -5.089 16.920 1.00 1.83 O ATOM 334 CB ALA A 23 112.702 -3.173 17.194 1.00 1.59 C ATOM 0 H ALA A 23 114.213 -4.349 19.383 1.00 1.77 H new ATOM 0 HA ALA A 23 111.749 -4.996 17.817 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.368 -3.271 16.161 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.009 -2.533 17.740 1.00 1.59 H new ATOM 0 HB3 ALA A 23 113.697 -2.729 17.213 1.00 1.59 H new ATOM 340 N GLY A 24 113.318 -6.609 16.682 1.00 1.80 N ATOM 341 CA GLY A 24 114.250 -7.527 15.960 1.00 1.90 C ATOM 342 C GLY A 24 113.465 -8.405 14.983 1.00 1.86 C ATOM 343 O GLY A 24 112.455 -8.989 15.328 1.00 1.86 O ATOM 0 H GLY A 24 112.370 -6.963 16.806 1.00 1.80 H new ATOM 0 HA2 GLY A 24 114.999 -6.948 15.420 1.00 1.90 H new ATOM 0 HA3 GLY A 24 114.785 -8.152 16.675 1.00 1.90 H new ATOM 347 N GLY A 25 113.920 -8.506 13.763 1.00 1.85 N ATOM 348 CA GLY A 25 113.200 -9.352 12.771 1.00 1.84 C ATOM 349 C GLY A 25 113.931 -9.322 11.427 1.00 1.84 C ATOM 350 O GLY A 25 114.938 -8.661 11.268 1.00 1.84 O ATOM 0 H GLY A 25 114.757 -8.040 13.412 1.00 1.85 H new ATOM 0 HA2 GLY A 25 113.134 -10.377 13.135 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.179 -8.992 12.647 1.00 1.84 H new ATOM 354 N THR A 26 113.424 -10.036 10.458 1.00 1.86 N ATOM 355 CA THR A 26 114.072 -10.061 9.119 1.00 1.87 C ATOM 356 C THR A 26 113.767 -8.760 8.375 1.00 1.75 C ATOM 357 O THR A 26 114.455 -8.391 7.444 1.00 1.76 O ATOM 358 CB THR A 26 113.525 -11.243 8.317 1.00 1.96 C ATOM 359 OG1 THR A 26 113.494 -12.400 9.142 1.00 2.31 O ATOM 360 CG2 THR A 26 114.422 -11.502 7.106 1.00 2.29 C ATOM 0 H THR A 26 112.582 -10.607 10.539 1.00 1.86 H new ATOM 0 HA THR A 26 115.150 -10.164 9.239 1.00 1.87 H new ATOM 0 HB THR A 26 112.516 -11.013 7.975 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.142 -13.158 8.630 1.00 2.31 H new ATOM 0 HG21 THR A 26 114.030 -12.345 6.536 1.00 2.29 H new ATOM 0 HG22 THR A 26 114.444 -10.615 6.473 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.433 -11.731 7.444 1.00 2.29 H new ATOM 368 N GLY A 27 112.743 -8.059 8.777 1.00 1.64 N ATOM 369 CA GLY A 27 112.403 -6.783 8.091 1.00 1.54 C ATOM 370 C GLY A 27 113.461 -5.742 8.439 1.00 1.50 C ATOM 371 O GLY A 27 113.694 -4.803 7.706 1.00 1.46 O ATOM 0 H GLY A 27 112.128 -8.315 9.550 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.362 -6.934 7.012 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.417 -6.438 8.402 1.00 1.54 H new ATOM 375 N LEU A 28 114.110 -5.913 9.554 1.00 1.57 N ATOM 376 CA LEU A 28 115.165 -4.945 9.962 1.00 1.59 C ATOM 377 C LEU A 28 116.461 -5.287 9.231 1.00 1.69 C ATOM 378 O LEU A 28 117.416 -4.536 9.245 1.00 1.83 O ATOM 379 CB LEU A 28 115.394 -5.057 11.472 1.00 1.65 C ATOM 380 CG LEU A 28 114.196 -4.464 12.238 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.165 -5.031 13.661 1.00 1.66 C ATOM 382 CD2 LEU A 28 114.311 -2.933 12.309 1.00 1.61 C ATOM 0 H LEU A 28 113.955 -6.684 10.204 1.00 1.57 H new ATOM 0 HA LEU A 28 114.855 -3.930 9.712 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.531 -6.102 11.750 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.308 -4.531 11.748 1.00 1.65 H new ATOM 0 HG LEU A 28 113.279 -4.730 11.712 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.317 -4.611 14.202 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.067 -6.116 13.618 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.089 -4.771 14.177 1.00 1.66 H new ATOM 0 HD21 LEU A 28 113.457 -2.529 12.853 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.232 -2.661 12.825 1.00 1.61 H new ATOM 0 HD23 LEU A 28 114.325 -2.522 11.300 1.00 1.61 H new ATOM 394 N GLU A 29 116.500 -6.426 8.601 1.00 1.73 N ATOM 395 CA GLU A 29 117.728 -6.843 7.872 1.00 1.84 C ATOM 396 C GLU A 29 117.728 -6.234 6.467 1.00 1.75 C ATOM 397 O GLU A 29 118.702 -5.650 6.035 1.00 1.78 O ATOM 398 CB GLU A 29 117.749 -8.369 7.784 1.00 2.00 C ATOM 399 CG GLU A 29 117.773 -8.957 9.204 1.00 2.06 C ATOM 400 CD GLU A 29 119.200 -8.920 9.757 1.00 1.98 C ATOM 401 OE1 GLU A 29 120.084 -9.444 9.099 1.00 2.34 O ATOM 402 OE2 GLU A 29 119.385 -8.367 10.829 1.00 2.21 O ATOM 0 H GLU A 29 115.728 -7.091 8.560 1.00 1.73 H new ATOM 0 HA GLU A 29 118.614 -6.493 8.402 1.00 1.84 H new ATOM 0 HB2 GLU A 29 116.872 -8.726 7.244 1.00 2.00 H new ATOM 0 HB3 GLU A 29 118.624 -8.701 7.225 1.00 2.00 H new ATOM 0 HG2 GLU A 29 117.107 -8.390 9.854 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.406 -9.983 9.189 1.00 2.06 H new ATOM 409 N ARG A 30 116.642 -6.362 5.751 1.00 1.69 N ATOM 410 CA ARG A 30 116.579 -5.786 4.375 1.00 1.64 C ATOM 411 C ARG A 30 115.167 -5.965 3.813 1.00 1.59 C ATOM 412 O ARG A 30 114.330 -6.612 4.410 1.00 1.61 O ATOM 413 CB ARG A 30 117.577 -6.511 3.468 1.00 1.75 C ATOM 414 CG ARG A 30 117.350 -8.022 3.559 1.00 2.21 C ATOM 415 CD ARG A 30 118.433 -8.750 2.762 1.00 2.47 C ATOM 416 NE ARG A 30 119.753 -8.558 3.426 1.00 2.96 N ATOM 417 CZ ARG A 30 120.759 -9.327 3.112 1.00 3.36 C ATOM 418 NH1 ARG A 30 120.609 -10.265 2.217 1.00 3.77 N ATOM 419 NH2 ARG A 30 121.915 -9.158 3.693 1.00 3.76 N ATOM 0 H ARG A 30 115.796 -6.841 6.059 1.00 1.69 H new ATOM 0 HA ARG A 30 116.827 -4.725 4.416 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.457 -6.176 2.438 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.597 -6.268 3.765 1.00 1.75 H new ATOM 0 HG2 ARG A 30 117.373 -8.342 4.601 1.00 2.21 H new ATOM 0 HG3 ARG A 30 116.364 -8.276 3.170 1.00 2.21 H new ATOM 0 HD2 ARG A 30 118.198 -9.812 2.696 1.00 2.47 H new ATOM 0 HD3 ARG A 30 118.468 -8.367 1.742 1.00 2.47 H new ATOM 0 HE ARG A 30 119.870 -7.825 4.126 1.00 2.96 H new ATOM 0 HH11 ARG A 30 119.705 -10.397 1.763 1.00 3.77 H new ATOM 0 HH12 ARG A 30 121.396 -10.866 1.972 1.00 3.77 H new ATOM 0 HH21 ARG A 30 122.032 -8.425 4.392 1.00 3.76 H new ATOM 0 HH22 ARG A 30 122.702 -9.759 3.448 1.00 3.76 H new ATOM 433 N GLY A 31 114.898 -5.402 2.659 1.00 1.54 N ATOM 434 CA GLY A 31 113.546 -5.542 2.041 1.00 1.52 C ATOM 435 C GLY A 31 113.728 -5.774 0.545 1.00 1.55 C ATOM 436 O GLY A 31 114.821 -5.668 0.028 1.00 1.57 O ATOM 0 H GLY A 31 115.562 -4.849 2.118 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.006 -6.375 2.492 1.00 1.52 H new ATOM 0 HA3 GLY A 31 112.953 -4.645 2.217 1.00 1.52 H new ATOM 440 N VAL A 32 112.675 -6.103 -0.157 1.00 1.56 N ATOM 441 CA VAL A 32 112.798 -6.353 -1.628 1.00 1.60 C ATOM 442 C VAL A 32 111.661 -5.645 -2.376 1.00 1.53 C ATOM 443 O VAL A 32 110.576 -5.463 -1.861 1.00 1.50 O ATOM 444 CB VAL A 32 112.754 -7.868 -1.868 1.00 1.75 C ATOM 445 CG1 VAL A 32 112.489 -8.174 -3.348 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.091 -8.497 -1.449 1.00 1.83 C ATOM 0 H VAL A 32 111.734 -6.210 0.223 1.00 1.56 H new ATOM 0 HA VAL A 32 113.741 -5.956 -2.003 1.00 1.60 H new ATOM 0 HB VAL A 32 111.945 -8.289 -1.272 1.00 1.75 H new ATOM 0 HG11 VAL A 32 112.462 -9.253 -3.497 1.00 1.80 H new ATOM 0 HG12 VAL A 32 111.533 -7.742 -3.643 1.00 1.80 H new ATOM 0 HG13 VAL A 32 113.284 -7.744 -3.957 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.057 -9.573 -1.621 1.00 1.83 H new ATOM 0 HG22 VAL A 32 114.898 -8.061 -2.038 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.268 -8.304 -0.391 1.00 1.83 H new ATOM 456 N ALA A 33 111.924 -5.235 -3.589 1.00 1.51 N ATOM 457 CA ALA A 33 110.896 -4.519 -4.406 1.00 1.46 C ATOM 458 C ALA A 33 109.488 -5.103 -4.205 1.00 1.53 C ATOM 459 O ALA A 33 109.188 -6.205 -4.621 1.00 1.64 O ATOM 460 CB ALA A 33 111.285 -4.624 -5.892 1.00 1.51 C ATOM 0 H ALA A 33 112.821 -5.367 -4.056 1.00 1.51 H new ATOM 0 HA ALA A 33 110.869 -3.478 -4.082 1.00 1.46 H new ATOM 0 HB1 ALA A 33 110.543 -4.106 -6.500 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.263 -4.167 -6.045 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.325 -5.673 -6.184 1.00 1.51 H new ATOM 466 N GLY A 34 108.618 -4.335 -3.612 1.00 1.46 N ATOM 467 CA GLY A 34 107.208 -4.779 -3.417 1.00 1.52 C ATOM 468 C GLY A 34 107.119 -6.007 -2.508 1.00 1.62 C ATOM 469 O GLY A 34 106.332 -6.900 -2.754 1.00 1.73 O ATOM 0 H GLY A 34 108.826 -3.405 -3.249 1.00 1.46 H new ATOM 0 HA2 GLY A 34 106.627 -3.964 -2.985 1.00 1.52 H new ATOM 0 HA3 GLY A 34 106.763 -5.010 -4.385 1.00 1.52 H new ATOM 473 N VAL A 35 107.897 -6.056 -1.453 1.00 1.59 N ATOM 474 CA VAL A 35 107.836 -7.225 -0.512 1.00 1.69 C ATOM 475 C VAL A 35 107.633 -6.688 0.929 1.00 1.61 C ATOM 476 O VAL A 35 108.464 -5.937 1.398 1.00 1.55 O ATOM 477 CB VAL A 35 109.155 -8.004 -0.596 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.241 -9.013 0.553 1.00 2.04 C ATOM 479 CG2 VAL A 35 109.208 -8.756 -1.932 1.00 2.19 C ATOM 0 H VAL A 35 108.574 -5.336 -1.201 1.00 1.59 H new ATOM 0 HA VAL A 35 107.011 -7.886 -0.778 1.00 1.69 H new ATOM 0 HB VAL A 35 109.990 -7.307 -0.524 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.180 -9.562 0.486 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.197 -8.485 1.505 1.00 2.04 H new ATOM 0 HG13 VAL A 35 108.407 -9.712 0.487 1.00 2.04 H new ATOM 0 HG21 VAL A 35 110.143 -9.312 -2.000 1.00 2.19 H new ATOM 0 HG22 VAL A 35 108.368 -9.448 -1.993 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.150 -8.042 -2.754 1.00 2.19 H new ATOM 489 N PRO A 36 106.548 -7.057 1.608 1.00 1.67 N ATOM 490 CA PRO A 36 106.313 -6.558 2.979 1.00 1.61 C ATOM 491 C PRO A 36 107.469 -6.964 3.906 1.00 1.61 C ATOM 492 O PRO A 36 107.669 -8.127 4.195 1.00 1.74 O ATOM 493 CB PRO A 36 104.978 -7.204 3.426 1.00 1.76 C ATOM 494 CG PRO A 36 104.468 -8.085 2.249 1.00 1.96 C ATOM 495 CD PRO A 36 105.493 -7.969 1.099 1.00 1.85 C ATOM 0 HA PRO A 36 106.260 -5.470 3.017 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.125 -7.808 4.321 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.245 -6.437 3.676 1.00 1.76 H new ATOM 0 HG2 PRO A 36 104.363 -9.123 2.565 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.484 -7.751 1.920 1.00 1.96 H new ATOM 0 HD2 PRO A 36 105.906 -8.944 0.840 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.029 -7.570 0.197 1.00 1.85 H new ATOM 503 N ALA A 37 108.218 -6.007 4.388 1.00 1.53 N ATOM 504 CA ALA A 37 109.345 -6.328 5.312 1.00 1.62 C ATOM 505 C ALA A 37 108.794 -6.392 6.736 1.00 1.53 C ATOM 506 O ALA A 37 108.721 -5.396 7.430 1.00 1.52 O ATOM 507 CB ALA A 37 110.413 -5.235 5.213 1.00 1.69 C ATOM 0 H ALA A 37 108.097 -5.016 4.181 1.00 1.53 H new ATOM 0 HA ALA A 37 109.796 -7.284 5.045 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.237 -5.469 5.888 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.786 -5.182 4.190 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.978 -4.275 5.491 1.00 1.69 H new ATOM 513 N GLU A 38 108.376 -7.552 7.169 1.00 1.50 N ATOM 514 CA GLU A 38 107.796 -7.680 8.536 1.00 1.45 C ATOM 515 C GLU A 38 108.899 -7.896 9.580 1.00 1.50 C ATOM 516 O GLU A 38 109.908 -8.524 9.327 1.00 1.60 O ATOM 517 CB GLU A 38 106.778 -8.853 8.541 1.00 1.54 C ATOM 518 CG GLU A 38 107.376 -10.111 9.181 1.00 1.68 C ATOM 519 CD GLU A 38 106.452 -11.304 8.927 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.293 -11.670 7.774 1.00 2.12 O ATOM 521 OE2 GLU A 38 105.920 -11.831 9.890 1.00 2.23 O ATOM 0 H GLU A 38 108.412 -8.419 6.632 1.00 1.50 H new ATOM 0 HA GLU A 38 107.280 -6.757 8.802 1.00 1.45 H new ATOM 0 HB2 GLU A 38 105.882 -8.557 9.086 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.471 -9.074 7.519 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.364 -10.308 8.765 1.00 1.68 H new ATOM 0 HG3 GLU A 38 107.505 -9.960 10.253 1.00 1.68 H new ATOM 528 N PHE A 39 108.673 -7.407 10.767 1.00 1.46 N ATOM 529 CA PHE A 39 109.644 -7.594 11.872 1.00 1.54 C ATOM 530 C PHE A 39 108.856 -7.537 13.178 1.00 1.53 C ATOM 531 O PHE A 39 107.742 -7.053 13.218 1.00 1.50 O ATOM 532 CB PHE A 39 110.749 -6.527 11.836 1.00 1.54 C ATOM 533 CG PHE A 39 110.189 -5.148 12.106 1.00 1.31 C ATOM 534 CD1 PHE A 39 109.304 -4.567 11.197 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.579 -4.441 13.252 1.00 1.34 C ATOM 536 CE1 PHE A 39 108.800 -3.282 11.430 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.080 -3.155 13.483 1.00 1.37 C ATOM 538 CZ PHE A 39 109.190 -2.576 12.573 1.00 1.30 C ATOM 0 H PHE A 39 107.839 -6.876 11.019 1.00 1.46 H new ATOM 0 HA PHE A 39 110.150 -8.555 11.775 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.511 -6.764 12.578 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.238 -6.539 10.862 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.007 -5.110 10.312 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.264 -4.889 13.956 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.111 -2.836 10.728 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.382 -2.609 14.364 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.804 -1.584 12.753 1.00 1.30 H new ATOM 548 N SER A 40 109.394 -8.076 14.230 1.00 1.60 N ATOM 549 CA SER A 40 108.648 -8.113 15.528 1.00 1.61 C ATOM 550 C SER A 40 109.075 -6.979 16.465 1.00 1.59 C ATOM 551 O SER A 40 110.171 -6.460 16.386 1.00 1.64 O ATOM 552 CB SER A 40 108.927 -9.450 16.216 1.00 1.73 C ATOM 553 OG SER A 40 108.662 -9.327 17.606 1.00 2.37 O ATOM 0 H SER A 40 110.323 -8.497 14.254 1.00 1.60 H new ATOM 0 HA SER A 40 107.586 -7.992 15.312 1.00 1.61 H new ATOM 0 HB2 SER A 40 108.303 -10.232 15.783 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.964 -9.745 16.057 1.00 1.73 H new ATOM 0 HG SER A 40 107.766 -8.952 17.736 1.00 2.37 H new ATOM 559 N ILE A 41 108.203 -6.620 17.374 1.00 1.54 N ATOM 560 CA ILE A 41 108.513 -5.546 18.364 1.00 1.54 C ATOM 561 C ILE A 41 107.760 -5.854 19.662 1.00 1.60 C ATOM 562 O ILE A 41 106.546 -5.875 19.679 1.00 1.65 O ATOM 563 CB ILE A 41 108.040 -4.186 17.843 1.00 1.45 C ATOM 564 CG1 ILE A 41 108.528 -3.970 16.406 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.598 -3.078 18.739 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.195 -2.538 15.951 1.00 1.34 C ATOM 0 H ILE A 41 107.276 -7.033 17.472 1.00 1.54 H new ATOM 0 HA ILE A 41 109.590 -5.512 18.531 1.00 1.54 H new ATOM 0 HB ILE A 41 106.950 -4.161 17.856 1.00 1.45 H new ATOM 0 HG12 ILE A 41 109.603 -4.139 16.348 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.056 -4.692 15.740 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.263 -2.109 18.370 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.242 -3.221 19.759 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.687 -3.114 18.727 1.00 1.50 H new ATOM 0 HD11 ILE A 41 108.544 -2.390 14.929 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.117 -2.385 15.992 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.688 -1.823 16.610 1.00 1.34 H new ATOM 578 N TRP A 42 108.461 -6.088 20.748 1.00 1.65 N ATOM 579 CA TRP A 42 107.772 -6.389 22.049 1.00 1.71 C ATOM 580 C TRP A 42 108.210 -5.360 23.096 1.00 1.77 C ATOM 581 O TRP A 42 109.385 -5.110 23.283 1.00 1.78 O ATOM 582 CB TRP A 42 108.122 -7.821 22.500 1.00 1.88 C ATOM 583 CG TRP A 42 109.467 -7.867 23.160 1.00 2.08 C ATOM 584 CD1 TRP A 42 110.587 -8.384 22.606 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.847 -7.395 24.486 1.00 2.36 C ATOM 586 NE1 TRP A 42 111.630 -8.260 23.507 1.00 2.89 N ATOM 587 CE2 TRP A 42 111.224 -7.654 24.679 1.00 2.64 C ATOM 588 CE3 TRP A 42 109.137 -6.772 25.527 1.00 3.00 C ATOM 589 CZ2 TRP A 42 111.874 -7.308 25.864 1.00 3.08 C ATOM 590 CZ3 TRP A 42 109.788 -6.422 26.722 1.00 3.68 C ATOM 591 CH2 TRP A 42 111.154 -6.690 26.890 1.00 3.56 C ATOM 0 H TRP A 42 109.480 -6.084 20.791 1.00 1.65 H new ATOM 0 HA TRP A 42 106.691 -6.326 21.926 1.00 1.71 H new ATOM 0 HB2 TRP A 42 107.362 -8.183 23.192 1.00 1.88 H new ATOM 0 HB3 TRP A 42 108.113 -8.489 21.639 1.00 1.88 H new ATOM 0 HD1 TRP A 42 110.656 -8.822 21.621 1.00 2.66 H new ATOM 0 HE1 TRP A 42 112.582 -8.578 23.327 1.00 2.89 H new ATOM 0 HE3 TRP A 42 108.085 -6.561 25.408 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 112.926 -7.516 25.988 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 109.233 -5.944 27.516 1.00 3.68 H new ATOM 0 HH2 TRP A 42 111.649 -6.419 27.811 1.00 3.56 H new ATOM 602 N THR A 43 107.270 -4.745 23.768 1.00 1.91 N ATOM 603 CA THR A 43 107.628 -3.715 24.790 1.00 2.07 C ATOM 604 C THR A 43 106.578 -3.712 25.907 1.00 1.92 C ATOM 605 O THR A 43 105.398 -3.865 25.663 1.00 2.17 O ATOM 606 CB THR A 43 107.668 -2.321 24.131 1.00 2.42 C ATOM 607 OG1 THR A 43 106.408 -1.682 24.296 1.00 2.72 O ATOM 608 CG2 THR A 43 107.976 -2.445 22.634 1.00 2.89 C ATOM 0 H THR A 43 106.270 -4.912 23.653 1.00 1.91 H new ATOM 0 HA THR A 43 108.607 -3.951 25.207 1.00 2.07 H new ATOM 0 HB THR A 43 108.451 -1.731 24.608 1.00 2.42 H new ATOM 0 HG1 THR A 43 106.378 -0.871 23.747 1.00 2.72 H new ATOM 0 HG21 THR A 43 108.001 -1.452 22.184 1.00 2.89 H new ATOM 0 HG22 THR A 43 108.944 -2.928 22.500 1.00 2.89 H new ATOM 0 HG23 THR A 43 107.203 -3.043 22.152 1.00 2.89 H new ATOM 616 N ARG A 44 107.001 -3.528 27.129 1.00 1.96 N ATOM 617 CA ARG A 44 106.034 -3.502 28.265 1.00 1.92 C ATOM 618 C ARG A 44 106.790 -3.225 29.567 1.00 1.92 C ATOM 619 O ARG A 44 106.895 -4.075 30.429 1.00 2.18 O ATOM 620 CB ARG A 44 105.313 -4.850 28.367 1.00 2.09 C ATOM 621 CG ARG A 44 106.320 -5.990 28.208 1.00 2.62 C ATOM 622 CD ARG A 44 105.610 -7.328 28.422 1.00 3.00 C ATOM 623 NE ARG A 44 105.009 -7.358 29.785 1.00 3.63 N ATOM 624 CZ ARG A 44 104.106 -8.252 30.081 1.00 4.14 C ATOM 625 NH1 ARG A 44 103.727 -9.119 29.183 1.00 4.51 N ATOM 626 NH2 ARG A 44 103.582 -8.278 31.276 1.00 4.63 N ATOM 0 H ARG A 44 107.978 -3.394 27.390 1.00 1.96 H new ATOM 0 HA ARG A 44 105.298 -2.717 28.094 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.808 -4.931 29.329 1.00 2.09 H new ATOM 0 HB3 ARG A 44 104.545 -4.921 27.597 1.00 2.09 H new ATOM 0 HG2 ARG A 44 106.768 -5.958 27.215 1.00 2.62 H new ATOM 0 HG3 ARG A 44 107.131 -5.877 28.928 1.00 2.62 H new ATOM 0 HD2 ARG A 44 104.835 -7.465 27.668 1.00 3.00 H new ATOM 0 HD3 ARG A 44 106.317 -8.150 28.306 1.00 3.00 H new ATOM 0 HE ARG A 44 105.304 -6.679 30.487 1.00 3.63 H new ATOM 0 HH11 ARG A 44 104.137 -9.098 28.249 1.00 4.51 H new ATOM 0 HH12 ARG A 44 103.021 -9.818 29.415 1.00 4.51 H new ATOM 0 HH21 ARG A 44 103.878 -7.600 31.978 1.00 4.63 H new ATOM 0 HH22 ARG A 44 102.876 -8.977 31.508 1.00 4.63 H new ATOM 640 N GLU A 45 107.319 -2.039 29.718 1.00 1.87 N ATOM 641 CA GLU A 45 108.071 -1.705 30.964 1.00 1.94 C ATOM 642 C GLU A 45 108.009 -0.196 31.209 1.00 1.84 C ATOM 643 O GLU A 45 107.663 0.253 32.284 1.00 1.87 O ATOM 644 CB GLU A 45 109.531 -2.138 30.808 1.00 2.09 C ATOM 645 CG GLU A 45 110.212 -2.146 32.178 1.00 2.37 C ATOM 646 CD GLU A 45 111.634 -2.694 32.039 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.769 -3.880 31.789 1.00 2.73 O ATOM 648 OE2 GLU A 45 112.564 -1.918 32.185 1.00 2.89 O ATOM 0 H GLU A 45 107.263 -1.287 29.032 1.00 1.87 H new ATOM 0 HA GLU A 45 107.625 -2.228 31.810 1.00 1.94 H new ATOM 0 HB2 GLU A 45 109.581 -3.130 30.360 1.00 2.09 H new ATOM 0 HB3 GLU A 45 110.053 -1.458 30.135 1.00 2.09 H new ATOM 0 HG2 GLU A 45 110.239 -1.137 32.588 1.00 2.37 H new ATOM 0 HG3 GLU A 45 109.641 -2.759 32.876 1.00 2.37 H new ATOM 655 N ALA A 46 108.342 0.593 30.223 1.00 1.74 N ATOM 656 CA ALA A 46 108.301 2.072 30.408 1.00 1.71 C ATOM 657 C ALA A 46 106.872 2.505 30.723 1.00 1.64 C ATOM 658 O ALA A 46 106.608 3.125 31.735 1.00 1.71 O ATOM 659 CB ALA A 46 108.762 2.767 29.126 1.00 1.66 C ATOM 0 H ALA A 46 108.640 0.278 29.300 1.00 1.74 H new ATOM 0 HA ALA A 46 108.962 2.348 31.230 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.730 3.847 29.266 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.782 2.461 28.893 1.00 1.66 H new ATOM 0 HB3 ALA A 46 108.103 2.488 28.304 1.00 1.66 H new ATOM 665 N GLY A 47 105.949 2.188 29.854 1.00 1.60 N ATOM 666 CA GLY A 47 104.523 2.578 30.075 1.00 1.58 C ATOM 667 C GLY A 47 103.952 3.112 28.761 1.00 1.42 C ATOM 668 O GLY A 47 104.622 3.127 27.748 1.00 1.37 O ATOM 0 H GLY A 47 106.123 1.671 28.992 1.00 1.60 H new ATOM 0 HA2 GLY A 47 103.945 1.719 30.417 1.00 1.58 H new ATOM 0 HA3 GLY A 47 104.455 3.338 30.853 1.00 1.58 H new ATOM 672 N ALA A 48 102.724 3.552 28.762 1.00 1.40 N ATOM 673 CA ALA A 48 102.130 4.083 27.502 1.00 1.27 C ATOM 674 C ALA A 48 103.041 5.171 26.933 1.00 1.21 C ATOM 675 O ALA A 48 103.620 5.953 27.661 1.00 1.37 O ATOM 676 CB ALA A 48 100.749 4.673 27.796 1.00 1.32 C ATOM 0 H ALA A 48 102.109 3.567 29.575 1.00 1.40 H new ATOM 0 HA ALA A 48 102.030 3.275 26.777 1.00 1.27 H new ATOM 0 HB1 ALA A 48 100.315 5.061 26.874 1.00 1.32 H new ATOM 0 HB2 ALA A 48 100.101 3.897 28.203 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.846 5.482 28.520 1.00 1.32 H new ATOM 682 N GLY A 49 103.173 5.229 25.636 1.00 1.04 N ATOM 683 CA GLY A 49 104.048 6.267 25.021 1.00 1.02 C ATOM 684 C GLY A 49 103.648 6.468 23.559 1.00 0.87 C ATOM 685 O GLY A 49 102.777 5.792 23.049 1.00 0.71 O ATOM 0 H GLY A 49 102.713 4.602 24.976 1.00 1.04 H new ATOM 0 HA2 GLY A 49 103.956 7.206 25.567 1.00 1.02 H new ATOM 0 HA3 GLY A 49 105.093 5.962 25.085 1.00 1.02 H new ATOM 689 N GLY A 50 104.280 7.395 22.882 1.00 0.98 N ATOM 690 CA GLY A 50 103.948 7.656 21.445 1.00 0.86 C ATOM 691 C GLY A 50 105.104 7.185 20.562 1.00 0.86 C ATOM 692 O GLY A 50 106.189 7.729 20.604 1.00 1.06 O ATOM 0 H GLY A 50 105.017 7.987 23.265 1.00 0.98 H new ATOM 0 HA2 GLY A 50 103.031 7.134 21.172 1.00 0.86 H new ATOM 0 HA3 GLY A 50 103.767 8.720 21.290 1.00 0.86 H new ATOM 696 N LEU A 51 104.879 6.183 19.752 1.00 0.74 N ATOM 697 CA LEU A 51 105.965 5.687 18.855 1.00 0.75 C ATOM 698 C LEU A 51 105.821 6.371 17.506 1.00 0.68 C ATOM 699 O LEU A 51 105.051 5.942 16.681 1.00 0.60 O ATOM 700 CB LEU A 51 105.831 4.169 18.677 1.00 0.74 C ATOM 701 CG LEU A 51 107.064 3.610 17.933 1.00 0.81 C ATOM 702 CD1 LEU A 51 108.212 3.355 18.919 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.696 2.289 17.248 1.00 0.77 C ATOM 0 H LEU A 51 103.991 5.687 19.673 1.00 0.74 H new ATOM 0 HA LEU A 51 106.941 5.909 19.288 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.735 3.688 19.650 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.924 3.939 18.117 1.00 0.74 H new ATOM 0 HG LEU A 51 107.382 4.341 17.190 1.00 0.81 H new ATOM 0 HD11 LEU A 51 109.074 2.961 18.380 1.00 1.10 H new ATOM 0 HD12 LEU A 51 108.486 4.290 19.408 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.893 2.633 19.670 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.567 1.896 16.724 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.369 1.569 17.998 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.890 2.461 16.535 1.00 0.77 H new ATOM 715 N SER A 52 106.560 7.429 17.283 1.00 0.75 N ATOM 716 CA SER A 52 106.478 8.159 15.985 1.00 0.71 C ATOM 717 C SER A 52 107.397 7.472 14.981 1.00 0.70 C ATOM 718 O SER A 52 108.474 7.036 15.339 1.00 0.78 O ATOM 719 CB SER A 52 106.932 9.605 16.188 1.00 0.82 C ATOM 720 OG SER A 52 108.351 9.655 16.202 1.00 1.56 O ATOM 0 H SER A 52 107.222 7.820 17.953 1.00 0.75 H new ATOM 0 HA SER A 52 105.453 8.153 15.615 1.00 0.71 H new ATOM 0 HB2 SER A 52 106.543 10.236 15.389 1.00 0.82 H new ATOM 0 HB3 SER A 52 106.534 9.995 17.125 1.00 0.82 H new ATOM 0 HG SER A 52 108.664 10.257 15.495 1.00 1.56 H new ATOM 726 N ILE A 53 106.993 7.361 13.729 1.00 0.61 N ATOM 727 CA ILE A 53 107.864 6.691 12.717 1.00 0.61 C ATOM 728 C ILE A 53 107.910 7.537 11.443 1.00 0.57 C ATOM 729 O ILE A 53 106.920 7.693 10.756 1.00 0.65 O ATOM 730 CB ILE A 53 107.296 5.311 12.379 1.00 0.56 C ATOM 731 CG1 ILE A 53 107.256 4.448 13.644 1.00 0.64 C ATOM 732 CG2 ILE A 53 108.183 4.638 11.328 1.00 0.63 C ATOM 733 CD1 ILE A 53 106.449 3.177 13.372 1.00 0.64 C ATOM 0 H ILE A 53 106.101 7.706 13.373 1.00 0.61 H new ATOM 0 HA ILE A 53 108.869 6.583 13.126 1.00 0.61 H new ATOM 0 HB ILE A 53 106.286 5.421 11.985 1.00 0.56 H new ATOM 0 HG12 ILE A 53 108.269 4.189 13.952 1.00 0.64 H new ATOM 0 HG13 ILE A 53 106.807 5.008 14.464 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.779 3.655 11.087 1.00 0.63 H new ATOM 0 HG22 ILE A 53 108.209 5.251 10.427 1.00 0.63 H new ATOM 0 HG23 ILE A 53 109.194 4.528 11.721 1.00 0.63 H new ATOM 0 HD11 ILE A 53 106.421 2.564 14.273 1.00 0.64 H new ATOM 0 HD12 ILE A 53 105.433 3.446 13.085 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.917 2.614 12.564 1.00 0.64 H new ATOM 745 N ALA A 54 109.058 8.077 11.120 1.00 0.60 N ATOM 746 CA ALA A 54 109.193 8.911 9.887 1.00 0.57 C ATOM 747 C ALA A 54 109.935 8.103 8.825 1.00 0.54 C ATOM 748 O ALA A 54 111.122 7.860 8.931 1.00 0.63 O ATOM 749 CB ALA A 54 109.988 10.178 10.214 1.00 0.69 C ATOM 0 H ALA A 54 109.915 7.975 11.663 1.00 0.60 H new ATOM 0 HA ALA A 54 108.207 9.191 9.517 1.00 0.57 H new ATOM 0 HB1 ALA A 54 110.087 10.787 9.316 1.00 0.69 H new ATOM 0 HB2 ALA A 54 109.465 10.747 10.983 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.978 9.903 10.577 1.00 0.69 H new ATOM 755 N VAL A 55 109.239 7.677 7.803 1.00 0.45 N ATOM 756 CA VAL A 55 109.884 6.876 6.721 1.00 0.47 C ATOM 757 C VAL A 55 110.181 7.783 5.525 1.00 0.41 C ATOM 758 O VAL A 55 109.410 8.658 5.183 1.00 0.39 O ATOM 759 CB VAL A 55 108.932 5.745 6.278 1.00 0.47 C ATOM 760 CG1 VAL A 55 109.197 4.478 7.101 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.478 6.185 6.487 1.00 0.79 C ATOM 0 H VAL A 55 108.243 7.852 7.671 1.00 0.45 H new ATOM 0 HA VAL A 55 110.813 6.445 7.095 1.00 0.47 H new ATOM 0 HB VAL A 55 109.106 5.532 5.223 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.519 3.687 6.780 1.00 0.91 H new ATOM 0 HG12 VAL A 55 110.228 4.156 6.952 1.00 0.91 H new ATOM 0 HG13 VAL A 55 109.033 4.689 8.158 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.807 5.385 6.174 1.00 0.79 H new ATOM 0 HG22 VAL A 55 107.312 6.405 7.542 1.00 0.79 H new ATOM 0 HG23 VAL A 55 107.279 7.078 5.894 1.00 0.79 H new ATOM 771 N GLU A 56 111.291 7.562 4.879 1.00 0.44 N ATOM 772 CA GLU A 56 111.655 8.380 3.687 1.00 0.40 C ATOM 773 C GLU A 56 112.315 7.453 2.658 1.00 0.43 C ATOM 774 O GLU A 56 113.022 6.529 3.007 1.00 0.52 O ATOM 775 CB GLU A 56 112.610 9.508 4.122 1.00 0.47 C ATOM 776 CG GLU A 56 113.414 10.028 2.922 1.00 0.49 C ATOM 777 CD GLU A 56 114.017 11.395 3.256 1.00 1.08 C ATOM 778 OE1 GLU A 56 114.622 11.512 4.309 1.00 1.71 O ATOM 779 OE2 GLU A 56 113.863 12.300 2.453 1.00 1.80 O ATOM 0 H GLU A 56 111.969 6.842 5.128 1.00 0.44 H new ATOM 0 HA GLU A 56 110.775 8.840 3.238 1.00 0.40 H new ATOM 0 HB2 GLU A 56 112.039 10.324 4.565 1.00 0.47 H new ATOM 0 HB3 GLU A 56 113.290 9.140 4.890 1.00 0.47 H new ATOM 0 HG2 GLU A 56 114.206 9.323 2.670 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.769 10.109 2.047 1.00 0.49 H new ATOM 786 N GLY A 57 112.081 7.680 1.396 1.00 0.41 N ATOM 787 CA GLY A 57 112.692 6.798 0.361 1.00 0.49 C ATOM 788 C GLY A 57 111.972 6.994 -0.982 1.00 0.45 C ATOM 789 O GLY A 57 111.157 7.883 -1.111 1.00 0.44 O ATOM 0 H GLY A 57 111.496 8.434 1.037 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.752 7.029 0.253 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.623 5.756 0.672 1.00 0.49 H new ATOM 793 N PRO A 58 112.305 6.165 -1.951 1.00 0.50 N ATOM 794 CA PRO A 58 111.701 6.247 -3.299 1.00 0.52 C ATOM 795 C PRO A 58 110.194 5.980 -3.273 1.00 0.54 C ATOM 796 O PRO A 58 109.465 6.478 -4.108 1.00 0.56 O ATOM 797 CB PRO A 58 112.429 5.169 -4.126 1.00 0.63 C ATOM 798 CG PRO A 58 113.516 4.530 -3.213 1.00 0.66 C ATOM 799 CD PRO A 58 113.318 5.099 -1.792 1.00 0.60 C ATOM 0 HA PRO A 58 111.813 7.246 -3.720 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.726 4.411 -4.472 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.884 5.609 -5.013 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.423 3.444 -3.208 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.514 4.763 -3.584 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.976 4.328 -1.101 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.251 5.496 -1.391 1.00 0.60 H new ATOM 807 N SER A 59 109.720 5.201 -2.339 1.00 0.56 N ATOM 808 CA SER A 59 108.249 4.903 -2.280 1.00 0.60 C ATOM 809 C SER A 59 107.727 5.100 -0.853 1.00 0.55 C ATOM 810 O SER A 59 108.473 5.386 0.060 1.00 0.55 O ATOM 811 CB SER A 59 108.011 3.459 -2.746 1.00 0.71 C ATOM 812 OG SER A 59 106.897 3.438 -3.628 1.00 1.55 O ATOM 0 H SER A 59 110.282 4.756 -1.613 1.00 0.56 H new ATOM 0 HA SER A 59 107.710 5.586 -2.936 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.898 3.074 -3.250 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.825 2.812 -1.889 1.00 0.71 H new ATOM 0 HG SER A 59 106.116 3.076 -3.160 1.00 1.55 H new ATOM 818 N LYS A 60 106.441 4.954 -0.665 1.00 0.59 N ATOM 819 CA LYS A 60 105.850 5.135 0.694 1.00 0.57 C ATOM 820 C LYS A 60 105.776 3.783 1.403 1.00 0.63 C ATOM 821 O LYS A 60 105.132 2.862 0.941 1.00 0.73 O ATOM 822 CB LYS A 60 104.440 5.715 0.561 1.00 0.63 C ATOM 823 CG LYS A 60 104.462 6.891 -0.417 1.00 1.23 C ATOM 824 CD LYS A 60 103.082 7.552 -0.452 1.00 1.29 C ATOM 825 CE LYS A 60 103.063 8.638 -1.530 1.00 1.87 C ATOM 826 NZ LYS A 60 102.996 8.001 -2.876 1.00 2.53 N ATOM 0 H LYS A 60 105.772 4.716 -1.398 1.00 0.59 H new ATOM 0 HA LYS A 60 106.473 5.816 1.273 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.751 4.947 0.208 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.078 6.045 1.535 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.217 7.616 -0.113 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.736 6.544 -1.413 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.315 6.806 -0.659 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.850 7.986 0.521 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.206 9.295 -1.384 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.957 9.257 -1.453 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 102.746 8.718 -3.587 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 103.921 7.588 -3.111 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 102.274 7.252 -2.870 1.00 2.53 H new ATOM 840 N ALA A 61 106.427 3.659 2.526 1.00 0.66 N ATOM 841 CA ALA A 61 106.395 2.370 3.272 1.00 0.76 C ATOM 842 C ALA A 61 105.090 2.297 4.080 1.00 0.77 C ATOM 843 O ALA A 61 104.917 3.002 5.055 1.00 0.78 O ATOM 844 CB ALA A 61 107.625 2.305 4.206 1.00 0.82 C ATOM 0 H ALA A 61 106.981 4.397 2.960 1.00 0.66 H new ATOM 0 HA ALA A 61 106.430 1.524 2.586 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.613 1.365 4.758 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.537 2.365 3.612 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.594 3.139 4.908 1.00 0.82 H new ATOM 850 N GLU A 62 104.169 1.457 3.682 1.00 0.88 N ATOM 851 CA GLU A 62 102.879 1.359 4.433 1.00 0.93 C ATOM 852 C GLU A 62 103.046 0.424 5.635 1.00 0.96 C ATOM 853 O GLU A 62 103.063 -0.783 5.500 1.00 1.43 O ATOM 854 CB GLU A 62 101.778 0.822 3.514 1.00 1.11 C ATOM 855 CG GLU A 62 101.882 1.495 2.143 1.00 1.50 C ATOM 856 CD GLU A 62 100.726 1.030 1.256 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.760 0.516 1.796 1.00 2.30 O ATOM 858 OE2 GLU A 62 100.825 1.198 0.052 1.00 2.14 O ATOM 0 H GLU A 62 104.252 0.838 2.875 1.00 0.88 H new ATOM 0 HA GLU A 62 102.599 2.352 4.785 1.00 0.93 H new ATOM 0 HB2 GLU A 62 101.873 -0.259 3.408 1.00 1.11 H new ATOM 0 HB3 GLU A 62 100.799 1.014 3.952 1.00 1.11 H new ATOM 0 HG2 GLU A 62 101.855 2.579 2.255 1.00 1.50 H new ATOM 0 HG3 GLU A 62 102.835 1.247 1.676 1.00 1.50 H new ATOM 865 N ILE A 63 103.164 0.990 6.809 1.00 0.97 N ATOM 866 CA ILE A 63 103.327 0.172 8.050 1.00 0.94 C ATOM 867 C ILE A 63 102.128 -0.772 8.210 1.00 1.01 C ATOM 868 O ILE A 63 101.063 -0.519 7.683 1.00 1.06 O ATOM 869 CB ILE A 63 103.404 1.109 9.267 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.274 2.330 8.940 1.00 1.06 C ATOM 871 CG2 ILE A 63 104.011 0.361 10.453 1.00 1.28 C ATOM 872 CD1 ILE A 63 105.607 1.878 8.339 1.00 1.40 C ATOM 0 H ILE A 63 103.154 1.998 6.963 1.00 0.97 H new ATOM 0 HA ILE A 63 104.241 -0.417 7.979 1.00 0.94 H new ATOM 0 HB ILE A 63 102.397 1.443 9.518 1.00 0.89 H new ATOM 0 HG12 ILE A 63 103.752 2.981 8.239 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.452 2.912 9.844 1.00 1.06 H new ATOM 0 HG21 ILE A 63 104.065 1.027 11.314 1.00 1.28 H new ATOM 0 HG22 ILE A 63 103.388 -0.499 10.698 1.00 1.28 H new ATOM 0 HG23 ILE A 63 105.014 0.021 10.194 1.00 1.28 H new ATOM 0 HD11 ILE A 63 106.218 2.751 8.110 1.00 1.40 H new ATOM 0 HD12 ILE A 63 106.133 1.245 9.054 1.00 1.40 H new ATOM 0 HD13 ILE A 63 105.421 1.315 7.424 1.00 1.40 H new ATOM 884 N ALA A 64 102.286 -1.857 8.938 1.00 1.04 N ATOM 885 CA ALA A 64 101.145 -2.807 9.132 1.00 1.13 C ATOM 886 C ALA A 64 101.143 -3.294 10.582 1.00 1.14 C ATOM 887 O ALA A 64 102.035 -2.985 11.345 1.00 1.36 O ATOM 888 CB ALA A 64 101.301 -4.001 8.184 1.00 1.26 C ATOM 0 H ALA A 64 103.154 -2.122 9.404 1.00 1.04 H new ATOM 0 HA ALA A 64 100.204 -2.302 8.914 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.469 -4.691 8.328 1.00 1.26 H new ATOM 0 HB2 ALA A 64 101.306 -3.648 7.153 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.239 -4.514 8.397 1.00 1.26 H new ATOM 894 N PHE A 65 100.146 -4.051 10.968 1.00 1.16 N ATOM 895 CA PHE A 65 100.080 -4.561 12.375 1.00 1.16 C ATOM 896 C PHE A 65 99.595 -6.012 12.371 1.00 1.28 C ATOM 897 O PHE A 65 98.490 -6.307 11.961 1.00 1.35 O ATOM 898 CB PHE A 65 99.101 -3.702 13.179 1.00 1.11 C ATOM 899 CG PHE A 65 97.804 -3.567 12.415 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.705 -2.648 11.363 1.00 1.23 C ATOM 901 CD2 PHE A 65 96.702 -4.358 12.760 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.503 -2.521 10.656 1.00 1.37 C ATOM 903 CE2 PHE A 65 95.500 -4.232 12.052 1.00 1.43 C ATOM 904 CZ PHE A 65 95.401 -3.313 11.000 1.00 1.47 C ATOM 0 H PHE A 65 99.373 -4.339 10.369 1.00 1.16 H new ATOM 0 HA PHE A 65 101.071 -4.510 12.827 1.00 1.16 H new ATOM 0 HB2 PHE A 65 98.916 -4.157 14.152 1.00 1.11 H new ATOM 0 HB3 PHE A 65 99.531 -2.718 13.363 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.555 -2.038 11.097 1.00 1.23 H new ATOM 0 HD2 PHE A 65 96.779 -5.066 13.572 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.426 -1.812 9.845 1.00 1.37 H new ATOM 0 HE2 PHE A 65 94.650 -4.843 12.317 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.474 -3.215 10.454 1.00 1.47 H new ATOM 914 N GLU A 66 100.418 -6.924 12.827 1.00 1.35 N ATOM 915 CA GLU A 66 100.016 -8.364 12.857 1.00 1.50 C ATOM 916 C GLU A 66 100.544 -9.014 14.138 1.00 1.54 C ATOM 917 O GLU A 66 101.736 -9.158 14.325 1.00 1.61 O ATOM 918 CB GLU A 66 100.611 -9.084 11.643 1.00 1.62 C ATOM 919 CG GLU A 66 100.314 -10.583 11.737 1.00 1.80 C ATOM 920 CD GLU A 66 100.643 -11.252 10.401 1.00 1.94 C ATOM 921 OE1 GLU A 66 101.722 -11.007 9.888 1.00 2.01 O ATOM 922 OE2 GLU A 66 99.810 -11.999 9.914 1.00 2.51 O ATOM 0 H GLU A 66 101.355 -6.732 13.181 1.00 1.35 H new ATOM 0 HA GLU A 66 98.929 -8.438 12.831 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.190 -8.677 10.724 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.688 -8.918 11.601 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.904 -11.032 12.536 1.00 1.80 H new ATOM 0 HG3 GLU A 66 99.265 -10.742 11.987 1.00 1.80 H new ATOM 1006 N SER A 72 103.975 -9.532 21.456 1.00 1.78 N ATOM 1007 CA SER A 72 104.956 -8.893 20.534 1.00 1.72 C ATOM 1008 C SER A 72 104.198 -8.164 19.422 1.00 1.60 C ATOM 1009 O SER A 72 103.453 -8.761 18.671 1.00 1.64 O ATOM 1010 CB SER A 72 105.853 -9.968 19.920 1.00 1.82 C ATOM 1011 OG SER A 72 106.875 -9.345 19.155 1.00 2.20 O ATOM 0 HA SER A 72 105.571 -8.182 21.086 1.00 1.72 H new ATOM 0 HB2 SER A 72 106.294 -10.582 20.705 1.00 1.82 H new ATOM 0 HB3 SER A 72 105.264 -10.633 19.288 1.00 1.82 H new ATOM 0 HG SER A 72 107.514 -10.022 18.850 1.00 2.20 H new ATOM 1017 N CYS A 73 104.378 -6.876 19.314 1.00 1.50 N ATOM 1018 CA CYS A 73 103.665 -6.110 18.253 1.00 1.40 C ATOM 1019 C CYS A 73 104.353 -6.338 16.906 1.00 1.37 C ATOM 1020 O CYS A 73 105.459 -5.888 16.679 1.00 1.39 O ATOM 1021 CB CYS A 73 103.691 -4.619 18.595 1.00 1.31 C ATOM 1022 SG CYS A 73 103.200 -4.386 20.322 1.00 2.05 S ATOM 0 H CYS A 73 104.988 -6.321 19.915 1.00 1.50 H new ATOM 0 HA CYS A 73 102.631 -6.451 18.193 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.690 -4.215 18.432 1.00 1.31 H new ATOM 0 HB3 CYS A 73 103.015 -4.072 17.937 1.00 1.31 H new ATOM 0 HG CYS A 73 103.224 -3.119 20.613 1.00 2.05 H new ATOM 1028 N GLY A 74 103.706 -7.032 16.010 1.00 1.39 N ATOM 1029 CA GLY A 74 104.318 -7.289 14.675 1.00 1.38 C ATOM 1030 C GLY A 74 104.060 -6.094 13.760 1.00 1.28 C ATOM 1031 O GLY A 74 102.935 -5.796 13.414 1.00 1.26 O ATOM 0 H GLY A 74 102.778 -7.433 16.145 1.00 1.39 H new ATOM 0 HA2 GLY A 74 105.390 -7.456 14.780 1.00 1.38 H new ATOM 0 HA3 GLY A 74 103.896 -8.194 14.237 1.00 1.38 H new ATOM 1035 N VAL A 75 105.102 -5.412 13.365 1.00 1.25 N ATOM 1036 CA VAL A 75 104.951 -4.223 12.463 1.00 1.16 C ATOM 1037 C VAL A 75 105.627 -4.523 11.131 1.00 1.20 C ATOM 1038 O VAL A 75 106.733 -5.023 11.090 1.00 1.25 O ATOM 1039 CB VAL A 75 105.624 -3.012 13.111 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.214 -1.740 12.368 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.190 -2.910 14.575 1.00 1.57 C ATOM 0 H VAL A 75 106.063 -5.627 13.630 1.00 1.25 H new ATOM 0 HA VAL A 75 103.894 -4.011 12.301 1.00 1.16 H new ATOM 0 HB VAL A 75 106.707 -3.129 13.060 1.00 1.11 H new ATOM 0 HG11 VAL A 75 105.694 -0.878 12.831 1.00 1.31 H new ATOM 0 HG12 VAL A 75 105.524 -1.812 11.325 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.131 -1.623 12.418 1.00 1.31 H new ATOM 0 HG21 VAL A 75 105.669 -2.047 15.037 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.107 -2.794 14.626 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.484 -3.816 15.106 1.00 1.57 H new ATOM 1051 N SER A 76 104.970 -4.228 10.038 1.00 1.22 N ATOM 1052 CA SER A 76 105.576 -4.501 8.698 1.00 1.29 C ATOM 1053 C SER A 76 105.337 -3.318 7.769 1.00 1.19 C ATOM 1054 O SER A 76 104.271 -2.736 7.749 1.00 1.20 O ATOM 1055 CB SER A 76 104.943 -5.758 8.095 1.00 1.40 C ATOM 1056 OG SER A 76 105.779 -6.253 7.056 1.00 1.85 O ATOM 0 H SER A 76 104.040 -3.810 10.015 1.00 1.22 H new ATOM 0 HA SER A 76 106.649 -4.653 8.817 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.812 -6.518 8.865 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.953 -5.528 7.702 1.00 1.40 H new ATOM 0 HG SER A 76 105.377 -7.059 6.669 1.00 1.85 H new ATOM 1062 N TYR A 77 106.328 -2.975 6.986 1.00 1.21 N ATOM 1063 CA TYR A 77 106.192 -1.839 6.024 1.00 1.12 C ATOM 1064 C TYR A 77 106.414 -2.380 4.612 1.00 1.20 C ATOM 1065 O TYR A 77 107.275 -3.210 4.393 1.00 1.43 O ATOM 1066 CB TYR A 77 107.235 -0.765 6.344 1.00 1.07 C ATOM 1067 CG TYR A 77 108.608 -1.388 6.446 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.942 -2.170 7.559 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.551 -1.177 5.433 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.217 -2.741 7.656 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.824 -1.746 5.530 1.00 1.28 C ATOM 1072 CZ TYR A 77 111.158 -2.527 6.641 1.00 1.39 C ATOM 1073 OH TYR A 77 112.414 -3.086 6.736 1.00 1.54 O ATOM 0 H TYR A 77 107.236 -3.439 6.972 1.00 1.21 H new ATOM 0 HA TYR A 77 105.200 -1.393 6.101 1.00 1.12 H new ATOM 0 HB2 TYR A 77 107.231 -0.000 5.567 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.982 -0.269 7.281 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.216 -2.333 8.342 1.00 1.33 H new ATOM 0 HD2 TYR A 77 109.294 -0.573 4.575 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.474 -3.346 8.513 1.00 1.47 H new ATOM 0 HE2 TYR A 77 111.550 -1.583 4.747 1.00 1.28 H new ATOM 0 HH TYR A 77 112.351 -3.961 7.173 1.00 1.54 H new ATOM 1083 N VAL A 78 105.636 -1.935 3.654 1.00 1.13 N ATOM 1084 CA VAL A 78 105.789 -2.441 2.253 1.00 1.21 C ATOM 1085 C VAL A 78 106.383 -1.348 1.373 1.00 1.14 C ATOM 1086 O VAL A 78 105.820 -0.280 1.225 1.00 1.11 O ATOM 1087 CB VAL A 78 104.414 -2.859 1.711 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.558 -1.617 1.417 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.603 -3.673 0.426 1.00 1.90 C ATOM 0 H VAL A 78 104.900 -1.241 3.783 1.00 1.13 H new ATOM 0 HA VAL A 78 106.457 -3.302 2.247 1.00 1.21 H new ATOM 0 HB VAL A 78 103.904 -3.466 2.459 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.586 -1.927 1.033 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.420 -1.045 2.334 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.060 -0.997 0.674 1.00 1.81 H new ATOM 0 HG21 VAL A 78 103.629 -3.972 0.038 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.119 -3.065 -0.317 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.196 -4.562 0.642 1.00 1.90 H new ATOM 1099 N VAL A 79 107.515 -1.616 0.781 1.00 1.17 N ATOM 1100 CA VAL A 79 108.165 -0.612 -0.109 1.00 1.11 C ATOM 1101 C VAL A 79 107.877 -0.995 -1.562 1.00 1.15 C ATOM 1102 O VAL A 79 107.394 -2.075 -1.834 1.00 1.24 O ATOM 1103 CB VAL A 79 109.676 -0.622 0.133 1.00 1.14 C ATOM 1104 CG1 VAL A 79 109.994 0.117 1.434 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.159 -2.071 0.244 1.00 1.27 C ATOM 0 H VAL A 79 108.022 -2.496 0.877 1.00 1.17 H new ATOM 0 HA VAL A 79 107.776 0.385 0.099 1.00 1.11 H new ATOM 0 HB VAL A 79 110.180 -0.127 -0.697 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.071 0.108 1.604 1.00 1.13 H new ATOM 0 HG12 VAL A 79 109.647 1.148 1.361 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.492 -0.377 2.265 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.235 -2.084 0.416 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.652 -2.561 1.076 1.00 1.27 H new ATOM 0 HG23 VAL A 79 109.934 -2.602 -0.681 1.00 1.27 H new ATOM 1115 N GLN A 80 108.158 -0.124 -2.500 1.00 1.10 N ATOM 1116 CA GLN A 80 107.883 -0.449 -3.937 1.00 1.15 C ATOM 1117 C GLN A 80 109.171 -0.858 -4.657 1.00 1.17 C ATOM 1118 O GLN A 80 109.167 -1.768 -5.462 1.00 1.25 O ATOM 1119 CB GLN A 80 107.287 0.776 -4.631 1.00 1.11 C ATOM 1120 CG GLN A 80 106.726 0.370 -5.997 1.00 1.18 C ATOM 1121 CD GLN A 80 105.419 -0.400 -5.804 1.00 1.80 C ATOM 1122 OE1 GLN A 80 104.383 0.188 -5.565 1.00 2.47 O ATOM 1123 NE2 GLN A 80 105.423 -1.701 -5.900 1.00 2.48 N ATOM 0 H GLN A 80 108.565 0.797 -2.335 1.00 1.10 H new ATOM 0 HA GLN A 80 107.180 -1.281 -3.975 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.497 1.207 -4.016 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.050 1.544 -4.754 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.552 1.256 -6.608 1.00 1.18 H new ATOM 0 HG3 GLN A 80 107.449 -0.248 -6.530 1.00 1.18 H new ATOM 0 HE21 GLN A 80 106.293 -2.195 -6.101 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.557 -2.224 -5.774 1.00 2.48 H new ATOM 1132 N GLU A 81 110.278 -0.199 -4.400 1.00 1.11 N ATOM 1133 CA GLU A 81 111.543 -0.585 -5.116 1.00 1.13 C ATOM 1134 C GLU A 81 112.795 -0.223 -4.277 1.00 1.07 C ATOM 1135 O GLU A 81 112.741 0.659 -3.443 1.00 0.98 O ATOM 1136 CB GLU A 81 111.611 0.118 -6.500 1.00 1.11 C ATOM 1137 CG GLU A 81 110.532 1.191 -6.586 1.00 1.43 C ATOM 1138 CD GLU A 81 110.771 2.065 -7.818 1.00 1.37 C ATOM 1139 OE1 GLU A 81 110.754 1.528 -8.913 1.00 1.65 O ATOM 1140 OE2 GLU A 81 110.966 3.257 -7.646 1.00 1.92 O ATOM 0 H GLU A 81 110.363 0.574 -3.740 1.00 1.11 H new ATOM 0 HA GLU A 81 111.531 -1.665 -5.261 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.594 0.566 -6.643 1.00 1.11 H new ATOM 0 HB3 GLU A 81 111.474 -0.613 -7.297 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.548 0.727 -6.643 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.543 1.805 -5.685 1.00 1.43 H new ATOM 1147 N PRO A 82 113.897 -0.916 -4.544 1.00 1.14 N ATOM 1148 CA PRO A 82 115.183 -0.692 -3.860 1.00 1.14 C ATOM 1149 C PRO A 82 115.461 0.770 -3.573 1.00 1.00 C ATOM 1150 O PRO A 82 114.797 1.666 -4.055 1.00 0.91 O ATOM 1151 CB PRO A 82 116.214 -1.264 -4.835 1.00 1.23 C ATOM 1152 CG PRO A 82 115.467 -2.357 -5.611 1.00 1.30 C ATOM 1153 CD PRO A 82 113.969 -1.998 -5.548 1.00 1.26 C ATOM 0 HA PRO A 82 115.200 -1.164 -2.878 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.592 -0.493 -5.506 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.073 -1.674 -4.304 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.811 -2.402 -6.644 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.649 -3.338 -5.171 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.598 -1.667 -6.518 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.366 -2.856 -5.252 1.00 1.26 H new ATOM 1161 N GLY A 83 116.466 0.996 -2.783 1.00 0.99 N ATOM 1162 CA GLY A 83 116.856 2.390 -2.425 1.00 0.89 C ATOM 1163 C GLY A 83 117.311 2.438 -0.969 1.00 0.92 C ATOM 1164 O GLY A 83 117.295 1.448 -0.265 1.00 1.02 O ATOM 0 H GLY A 83 117.044 0.268 -2.363 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.658 2.733 -3.078 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.013 3.064 -2.575 1.00 0.89 H new ATOM 1168 N ASP A 84 117.704 3.593 -0.513 1.00 0.87 N ATOM 1169 CA ASP A 84 118.152 3.746 0.899 1.00 0.93 C ATOM 1170 C ASP A 84 116.972 4.269 1.712 1.00 0.83 C ATOM 1171 O ASP A 84 116.799 5.459 1.881 1.00 0.76 O ATOM 1172 CB ASP A 84 119.316 4.744 0.958 1.00 0.98 C ATOM 1173 CG ASP A 84 120.244 4.515 -0.237 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.389 3.372 -0.638 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.793 5.486 -0.730 1.00 2.13 O ATOM 0 H ASP A 84 117.734 4.450 -1.066 1.00 0.87 H new ATOM 0 HA ASP A 84 118.490 2.792 1.303 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.935 5.765 0.946 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.868 4.621 1.890 1.00 0.98 H new ATOM 1180 N TYR A 85 116.152 3.389 2.204 1.00 0.84 N ATOM 1181 CA TYR A 85 114.979 3.831 2.990 1.00 0.76 C ATOM 1182 C TYR A 85 115.466 4.296 4.360 1.00 0.80 C ATOM 1183 O TYR A 85 116.282 3.657 4.991 1.00 0.92 O ATOM 1184 CB TYR A 85 113.999 2.650 3.115 1.00 0.80 C ATOM 1185 CG TYR A 85 112.900 2.764 2.080 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.795 3.586 2.323 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.992 2.048 0.881 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.780 3.692 1.367 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.978 2.153 -0.076 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.871 2.975 0.167 1.00 0.67 C ATOM 1191 OH TYR A 85 109.871 3.080 -0.776 1.00 0.68 O ATOM 0 H TYR A 85 116.246 2.379 2.094 1.00 0.84 H new ATOM 0 HA TYR A 85 114.462 4.658 2.504 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.534 1.710 2.984 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.565 2.633 4.115 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.726 4.139 3.248 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.846 1.414 0.695 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.926 4.326 1.554 1.00 0.61 H new ATOM 0 HE2 TYR A 85 112.049 1.601 -1.001 1.00 0.75 H new ATOM 0 HH TYR A 85 109.754 2.217 -1.226 1.00 0.68 H new ATOM 1201 N GLU A 86 114.973 5.419 4.808 1.00 0.73 N ATOM 1202 CA GLU A 86 115.395 5.981 6.130 1.00 0.78 C ATOM 1203 C GLU A 86 114.211 5.893 7.102 1.00 0.74 C ATOM 1204 O GLU A 86 113.152 6.432 6.849 1.00 0.68 O ATOM 1205 CB GLU A 86 115.845 7.470 5.967 1.00 0.78 C ATOM 1206 CG GLU A 86 115.726 7.932 4.500 1.00 0.72 C ATOM 1207 CD GLU A 86 116.888 7.361 3.684 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.439 6.355 4.100 1.00 1.26 O ATOM 1209 OE2 GLU A 86 117.207 7.939 2.659 1.00 1.53 O ATOM 0 H GLU A 86 114.285 5.982 4.308 1.00 0.73 H new ATOM 0 HA GLU A 86 116.238 5.410 6.519 1.00 0.78 H new ATOM 0 HB2 GLU A 86 115.233 8.109 6.603 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.876 7.580 6.303 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.776 7.600 4.080 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.734 9.021 4.450 1.00 0.72 H new ATOM 1216 N VAL A 87 114.387 5.212 8.208 1.00 0.81 N ATOM 1217 CA VAL A 87 113.284 5.071 9.210 1.00 0.78 C ATOM 1218 C VAL A 87 113.727 5.672 10.548 1.00 0.86 C ATOM 1219 O VAL A 87 114.863 5.519 10.960 1.00 0.99 O ATOM 1220 CB VAL A 87 112.972 3.584 9.389 1.00 0.84 C ATOM 1221 CG1 VAL A 87 114.132 2.887 10.108 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.692 3.425 10.211 1.00 0.83 C ATOM 0 H VAL A 87 115.257 4.743 8.462 1.00 0.81 H new ATOM 0 HA VAL A 87 112.394 5.596 8.863 1.00 0.78 H new ATOM 0 HB VAL A 87 112.835 3.128 8.408 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.901 1.829 10.231 1.00 1.00 H new ATOM 0 HG12 VAL A 87 115.042 2.993 9.518 1.00 1.00 H new ATOM 0 HG13 VAL A 87 114.279 3.342 11.087 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.470 2.365 10.338 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.828 3.887 11.189 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.864 3.909 9.693 1.00 0.83 H new ATOM 1232 N SER A 88 112.835 6.351 11.231 1.00 0.81 N ATOM 1233 CA SER A 88 113.189 6.966 12.552 1.00 0.91 C ATOM 1234 C SER A 88 112.096 6.645 13.567 1.00 0.87 C ATOM 1235 O SER A 88 111.045 7.252 13.576 1.00 0.84 O ATOM 1236 CB SER A 88 113.314 8.482 12.395 1.00 0.94 C ATOM 1237 OG SER A 88 113.325 9.087 13.681 1.00 1.59 O ATOM 0 H SER A 88 111.873 6.506 10.929 1.00 0.81 H new ATOM 0 HA SER A 88 114.139 6.561 12.900 1.00 0.91 H new ATOM 0 HB2 SER A 88 114.229 8.729 11.856 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.482 8.868 11.806 1.00 0.94 H new ATOM 0 HG SER A 88 114.085 8.745 14.197 1.00 1.59 H new ATOM 1243 N ILE A 89 112.342 5.682 14.419 1.00 0.99 N ATOM 1244 CA ILE A 89 111.330 5.280 15.443 1.00 0.98 C ATOM 1245 C ILE A 89 111.779 5.725 16.841 1.00 1.08 C ATOM 1246 O ILE A 89 112.929 5.589 17.209 1.00 1.20 O ATOM 1247 CB ILE A 89 111.177 3.753 15.397 1.00 1.03 C ATOM 1248 CG1 ILE A 89 112.338 3.081 16.160 1.00 1.19 C ATOM 1249 CG2 ILE A 89 111.181 3.297 13.933 1.00 1.00 C ATOM 1250 CD1 ILE A 89 112.422 1.591 15.804 1.00 1.29 C ATOM 0 H ILE A 89 113.212 5.151 14.449 1.00 0.99 H new ATOM 0 HA ILE A 89 110.375 5.758 15.228 1.00 0.98 H new ATOM 0 HB ILE A 89 110.238 3.465 15.870 1.00 1.03 H new ATOM 0 HG12 ILE A 89 113.278 3.574 15.912 1.00 1.19 H new ATOM 0 HG13 ILE A 89 112.191 3.197 17.234 1.00 1.19 H new ATOM 0 HG21 ILE A 89 111.073 2.213 13.889 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.352 3.766 13.404 1.00 1.00 H new ATOM 0 HG23 ILE A 89 112.121 3.587 13.464 1.00 1.00 H new ATOM 0 HD11 ILE A 89 113.246 1.132 16.351 1.00 1.29 H new ATOM 0 HD12 ILE A 89 111.488 1.099 16.075 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.592 1.482 14.733 1.00 1.29 H new ATOM 1262 N LYS A 90 110.871 6.244 17.622 1.00 1.05 N ATOM 1263 CA LYS A 90 111.218 6.689 18.999 1.00 1.16 C ATOM 1264 C LYS A 90 110.013 6.463 19.909 1.00 1.11 C ATOM 1265 O LYS A 90 108.932 6.940 19.630 1.00 1.01 O ATOM 1266 CB LYS A 90 111.530 8.182 18.978 1.00 1.22 C ATOM 1267 CG LYS A 90 110.285 8.973 18.506 1.00 1.15 C ATOM 1268 CD LYS A 90 110.709 10.202 17.683 1.00 1.34 C ATOM 1269 CE LYS A 90 111.110 9.786 16.255 1.00 1.04 C ATOM 1270 NZ LYS A 90 112.570 9.488 16.215 1.00 1.58 N ATOM 0 H LYS A 90 109.894 6.379 17.361 1.00 1.05 H new ATOM 0 HA LYS A 90 112.080 6.129 19.361 1.00 1.16 H new ATOM 0 HB2 LYS A 90 111.828 8.514 19.973 1.00 1.22 H new ATOM 0 HB3 LYS A 90 112.370 8.378 18.312 1.00 1.22 H new ATOM 0 HG2 LYS A 90 109.644 8.329 17.905 1.00 1.15 H new ATOM 0 HG3 LYS A 90 109.699 9.290 19.369 1.00 1.15 H new ATOM 0 HD2 LYS A 90 109.889 10.919 17.642 1.00 1.34 H new ATOM 0 HD3 LYS A 90 111.546 10.702 18.171 1.00 1.34 H new ATOM 0 HE2 LYS A 90 110.541 8.909 15.947 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.872 10.584 15.552 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 112.943 9.704 15.268 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 113.063 10.070 16.922 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 112.725 8.482 16.427 1.00 1.58 H new ATOM 1284 N PHE A 91 110.174 5.761 21.004 1.00 1.21 N ATOM 1285 CA PHE A 91 109.000 5.548 21.905 1.00 1.18 C ATOM 1286 C PHE A 91 108.833 6.786 22.784 1.00 1.22 C ATOM 1287 O PHE A 91 109.459 6.917 23.815 1.00 1.34 O ATOM 1288 CB PHE A 91 109.220 4.307 22.773 1.00 1.29 C ATOM 1289 CG PHE A 91 107.941 3.981 23.514 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.805 3.579 22.800 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.888 4.083 24.911 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.619 3.281 23.480 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.701 3.784 25.591 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.567 3.382 24.875 1.00 1.24 C ATOM 0 H PHE A 91 111.049 5.334 21.308 1.00 1.21 H new ATOM 0 HA PHE A 91 108.099 5.392 21.311 1.00 1.18 H new ATOM 0 HB2 PHE A 91 109.519 3.463 22.152 1.00 1.29 H new ATOM 0 HB3 PHE A 91 110.029 4.484 23.481 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.845 3.499 21.724 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.763 4.392 25.463 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.743 2.973 22.928 1.00 1.22 H new ATOM 0 HE2 PHE A 91 106.660 3.863 26.667 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.652 3.150 25.399 1.00 1.24 H new ATOM 1304 N ASN A 92 108.008 7.709 22.366 1.00 1.15 N ATOM 1305 CA ASN A 92 107.816 8.959 23.153 1.00 1.23 C ATOM 1306 C ASN A 92 109.101 9.785 23.046 1.00 1.32 C ATOM 1307 O ASN A 92 109.588 10.321 24.018 1.00 1.42 O ATOM 1308 CB ASN A 92 107.518 8.617 24.626 1.00 1.32 C ATOM 1309 CG ASN A 92 106.703 9.745 25.270 1.00 1.74 C ATOM 1310 OD1 ASN A 92 105.510 9.843 25.061 1.00 2.32 O ATOM 1311 ND2 ASN A 92 107.302 10.604 26.048 1.00 2.24 N ATOM 0 H ASN A 92 107.457 7.649 21.510 1.00 1.15 H new ATOM 0 HA ASN A 92 106.972 9.528 22.763 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.967 7.679 24.686 1.00 1.32 H new ATOM 0 HB3 ASN A 92 108.451 8.474 25.171 1.00 1.32 H new ATOM 0 HD21 ASN A 92 106.769 11.358 26.481 1.00 2.24 H new ATOM 0 HD22 ASN A 92 108.303 10.521 26.223 1.00 2.24 H new ATOM 1318 N ASP A 93 109.650 9.863 21.857 1.00 1.28 N ATOM 1319 CA ASP A 93 110.915 10.626 21.629 1.00 1.37 C ATOM 1320 C ASP A 93 112.110 9.805 22.100 1.00 1.45 C ATOM 1321 O ASP A 93 113.218 10.295 22.182 1.00 1.53 O ATOM 1322 CB ASP A 93 110.902 11.969 22.357 1.00 1.46 C ATOM 1323 CG ASP A 93 109.508 12.592 22.267 1.00 1.46 C ATOM 1324 OD1 ASP A 93 108.965 12.627 21.175 1.00 1.92 O ATOM 1325 OD2 ASP A 93 109.006 13.023 23.292 1.00 1.83 O ATOM 0 H ASP A 93 109.266 9.422 21.021 1.00 1.28 H new ATOM 0 HA ASP A 93 110.996 10.820 20.559 1.00 1.37 H new ATOM 0 HB2 ASP A 93 111.182 11.830 23.401 1.00 1.46 H new ATOM 0 HB3 ASP A 93 111.640 12.640 21.916 1.00 1.46 H new ATOM 1330 N GLU A 94 111.904 8.550 22.382 1.00 1.43 N ATOM 1331 CA GLU A 94 113.042 7.698 22.812 1.00 1.53 C ATOM 1332 C GLU A 94 113.729 7.168 21.556 1.00 1.52 C ATOM 1333 O GLU A 94 113.540 6.032 21.173 1.00 1.48 O ATOM 1334 CB GLU A 94 112.524 6.519 23.646 1.00 1.56 C ATOM 1335 CG GLU A 94 112.332 6.955 25.100 1.00 1.95 C ATOM 1336 CD GLU A 94 111.478 5.926 25.841 1.00 1.88 C ATOM 1337 OE1 GLU A 94 111.365 4.817 25.351 1.00 2.25 O ATOM 1338 OE2 GLU A 94 110.950 6.266 26.887 1.00 2.24 O ATOM 0 H GLU A 94 111.000 8.080 22.333 1.00 1.43 H new ATOM 0 HA GLU A 94 113.739 8.276 23.418 1.00 1.53 H new ATOM 0 HB2 GLU A 94 111.580 6.160 23.237 1.00 1.56 H new ATOM 0 HB3 GLU A 94 113.229 5.689 23.596 1.00 1.56 H new ATOM 0 HG2 GLU A 94 113.301 7.057 25.589 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.852 7.933 25.136 1.00 1.95 H new ATOM 1345 N HIS A 95 114.511 7.988 20.909 1.00 1.59 N ATOM 1346 CA HIS A 95 115.202 7.537 19.671 1.00 1.59 C ATOM 1347 C HIS A 95 116.250 6.481 20.020 1.00 1.71 C ATOM 1348 O HIS A 95 117.295 6.782 20.561 1.00 1.86 O ATOM 1349 CB HIS A 95 115.879 8.734 18.994 1.00 1.65 C ATOM 1350 CG HIS A 95 116.824 9.420 19.952 1.00 1.94 C ATOM 1351 ND1 HIS A 95 117.062 9.263 21.299 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 117.679 10.430 19.536 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 118.045 10.159 21.708 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 118.381 10.837 20.609 1.00 2.88 N flip ATOM 0 H HIS A 95 114.701 8.951 21.185 1.00 1.59 H new ATOM 0 HA HIS A 95 114.471 7.104 18.989 1.00 1.59 H new ATOM 0 HB2 HIS A 95 116.426 8.399 18.112 1.00 1.65 H new ATOM 0 HB3 HIS A 95 115.123 9.441 18.651 1.00 1.65 H new ATOM 0 HD2 HIS A 95 117.765 10.819 18.532 1.00 2.62 H new ATOM 0 HE1 HIS A 95 118.449 10.280 22.702 1.00 2.68 H new ATOM 0 HE2 HIS A 95 119.085 11.575 20.585 1.00 2.88 H new ATOM 1362 N ILE A 96 115.988 5.241 19.710 1.00 1.67 N ATOM 1363 CA ILE A 96 116.992 4.180 20.027 1.00 1.82 C ATOM 1364 C ILE A 96 118.211 4.396 19.104 1.00 1.88 C ATOM 1365 O ILE A 96 118.067 4.985 18.049 1.00 1.77 O ATOM 1366 CB ILE A 96 116.377 2.772 19.792 1.00 1.82 C ATOM 1367 CG1 ILE A 96 115.160 2.887 18.848 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.939 2.141 21.126 1.00 2.35 C ATOM 1369 CD1 ILE A 96 113.908 3.395 19.595 1.00 2.27 C ATOM 0 H ILE A 96 115.134 4.917 19.256 1.00 1.67 H new ATOM 0 HA ILE A 96 117.294 4.241 21.072 1.00 1.82 H new ATOM 0 HB ILE A 96 117.134 2.134 19.337 1.00 1.82 H new ATOM 0 HG12 ILE A 96 115.397 3.567 18.029 1.00 1.98 H new ATOM 0 HG13 ILE A 96 114.950 1.914 18.404 1.00 1.98 H new ATOM 0 HG21 ILE A 96 115.511 1.156 20.939 1.00 2.35 H new ATOM 0 HG22 ILE A 96 116.803 2.043 21.783 1.00 2.35 H new ATOM 0 HG23 ILE A 96 115.192 2.777 21.601 1.00 2.35 H new ATOM 0 HD11 ILE A 96 113.072 3.463 18.899 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.657 2.701 20.397 1.00 2.27 H new ATOM 0 HD13 ILE A 96 114.110 4.380 20.017 1.00 2.27 H new ATOM 1381 N PRO A 97 119.377 3.919 19.507 1.00 2.08 N ATOM 1382 CA PRO A 97 120.591 4.086 18.688 1.00 2.18 C ATOM 1383 C PRO A 97 120.287 3.666 17.249 1.00 2.06 C ATOM 1384 O PRO A 97 120.860 4.174 16.305 1.00 2.32 O ATOM 1385 CB PRO A 97 121.648 3.173 19.352 1.00 2.43 C ATOM 1386 CG PRO A 97 121.030 2.642 20.681 1.00 2.48 C ATOM 1387 CD PRO A 97 119.581 3.176 20.767 1.00 2.25 C ATOM 0 HA PRO A 97 120.948 5.115 18.641 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.911 2.346 18.692 1.00 2.43 H new ATOM 0 HB3 PRO A 97 122.566 3.727 19.549 1.00 2.43 H new ATOM 0 HG2 PRO A 97 121.038 1.552 20.699 1.00 2.48 H new ATOM 0 HG3 PRO A 97 121.614 2.980 21.537 1.00 2.48 H new ATOM 0 HD2 PRO A 97 118.864 2.361 20.866 1.00 2.25 H new ATOM 0 HD3 PRO A 97 119.449 3.823 21.634 1.00 2.25 H new ATOM 1395 N ASP A 98 119.374 2.755 17.081 1.00 2.10 N ATOM 1396 CA ASP A 98 119.009 2.314 15.712 1.00 1.98 C ATOM 1397 C ASP A 98 118.522 3.515 14.920 1.00 1.76 C ATOM 1398 O ASP A 98 119.117 3.903 13.939 1.00 1.73 O ATOM 1399 CB ASP A 98 117.891 1.272 15.792 1.00 1.95 C ATOM 1400 CG ASP A 98 118.340 0.107 16.675 1.00 2.28 C ATOM 1401 OD1 ASP A 98 119.513 -0.225 16.632 1.00 2.65 O ATOM 1402 OD2 ASP A 98 117.504 -0.434 17.380 1.00 2.64 O ATOM 0 H ASP A 98 118.864 2.296 17.836 1.00 2.10 H new ATOM 0 HA ASP A 98 119.878 1.875 15.223 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.987 1.724 16.200 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.644 0.911 14.794 1.00 1.95 H new ATOM 1407 N SER A 99 117.438 4.102 15.320 1.00 1.67 N ATOM 1408 CA SER A 99 116.914 5.260 14.556 1.00 1.48 C ATOM 1409 C SER A 99 117.834 6.482 14.750 1.00 1.62 C ATOM 1410 O SER A 99 118.264 6.728 15.859 1.00 1.87 O ATOM 1411 CB SER A 99 115.505 5.583 15.064 1.00 1.48 C ATOM 1412 OG SER A 99 114.568 4.775 14.366 1.00 2.00 O ATOM 0 H SER A 99 116.893 3.833 16.139 1.00 1.67 H new ATOM 0 HA SER A 99 116.881 5.017 13.494 1.00 1.48 H new ATOM 0 HB2 SER A 99 115.439 5.397 16.136 1.00 1.48 H new ATOM 0 HB3 SER A 99 115.281 6.639 14.910 1.00 1.48 H new ATOM 0 HG SER A 99 114.860 3.840 14.391 1.00 2.00 H new ATOM 1418 N PRO A 100 118.090 7.256 13.698 1.00 1.55 N ATOM 1419 CA PRO A 100 117.606 7.033 12.303 1.00 1.33 C ATOM 1420 C PRO A 100 118.590 6.107 11.541 1.00 1.33 C ATOM 1421 O PRO A 100 119.735 6.470 11.360 1.00 1.47 O ATOM 1422 CB PRO A 100 117.658 8.447 11.681 1.00 1.43 C ATOM 1423 CG PRO A 100 118.607 9.301 12.571 1.00 1.74 C ATOM 1424 CD PRO A 100 118.881 8.489 13.858 1.00 1.79 C ATOM 0 HA PRO A 100 116.621 6.569 12.263 1.00 1.33 H new ATOM 0 HB2 PRO A 100 118.026 8.404 10.656 1.00 1.43 H new ATOM 0 HB3 PRO A 100 116.662 8.889 11.644 1.00 1.43 H new ATOM 0 HG2 PRO A 100 119.538 9.515 12.046 1.00 1.74 H new ATOM 0 HG3 PRO A 100 118.149 10.260 12.812 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.943 8.267 13.968 1.00 1.79 H new ATOM 0 HD3 PRO A 100 118.577 9.042 14.747 1.00 1.79 H new ATOM 1432 N PHE A 101 118.168 4.942 11.061 1.00 1.25 N ATOM 1433 CA PHE A 101 119.124 4.057 10.280 1.00 1.36 C ATOM 1434 C PHE A 101 118.571 3.805 8.878 1.00 1.24 C ATOM 1435 O PHE A 101 117.431 4.102 8.579 1.00 1.16 O ATOM 1436 CB PHE A 101 119.384 2.716 10.986 1.00 1.55 C ATOM 1437 CG PHE A 101 118.135 1.869 11.063 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.197 2.109 12.063 1.00 1.50 C ATOM 1439 CD2 PHE A 101 117.935 0.821 10.157 1.00 1.78 C ATOM 1440 CE1 PHE A 101 116.058 1.314 12.167 1.00 1.83 C ATOM 1441 CE2 PHE A 101 116.789 0.023 10.254 1.00 2.18 C ATOM 1442 CZ PHE A 101 115.849 0.270 11.262 1.00 2.19 C ATOM 0 H PHE A 101 117.224 4.572 11.173 1.00 1.25 H new ATOM 0 HA PHE A 101 120.076 4.583 10.215 1.00 1.36 H new ATOM 0 HB2 PHE A 101 120.161 2.169 10.452 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.759 2.902 11.992 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.353 2.917 12.763 1.00 1.50 H new ATOM 0 HD2 PHE A 101 118.664 0.628 9.384 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.336 1.505 12.947 1.00 1.83 H new ATOM 0 HE2 PHE A 101 116.630 -0.782 9.552 1.00 2.18 H new ATOM 0 HZ PHE A 101 114.965 -0.345 11.340 1.00 2.19 H new ATOM 1452 N VAL A 102 119.395 3.284 8.004 1.00 1.28 N ATOM 1453 CA VAL A 102 118.963 3.035 6.598 1.00 1.21 C ATOM 1454 C VAL A 102 118.419 1.613 6.437 1.00 1.23 C ATOM 1455 O VAL A 102 118.884 0.679 7.058 1.00 1.34 O ATOM 1456 CB VAL A 102 120.171 3.223 5.673 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.301 2.282 6.099 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.775 2.914 4.227 1.00 1.29 C ATOM 0 H VAL A 102 120.358 3.018 8.209 1.00 1.28 H new ATOM 0 HA VAL A 102 118.170 3.737 6.341 1.00 1.21 H new ATOM 0 HB VAL A 102 120.511 4.256 5.742 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.157 2.419 5.439 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.594 2.506 7.125 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.957 1.249 6.037 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.639 3.050 3.576 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.427 1.883 4.157 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.977 3.588 3.916 1.00 1.29 H new ATOM 1468 N VAL A 103 117.443 1.453 5.578 1.00 1.15 N ATOM 1469 CA VAL A 103 116.844 0.108 5.314 1.00 1.19 C ATOM 1470 C VAL A 103 117.046 -0.213 3.818 1.00 1.19 C ATOM 1471 O VAL A 103 116.189 0.095 3.013 1.00 1.10 O ATOM 1472 CB VAL A 103 115.343 0.162 5.626 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.672 -1.145 5.188 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.144 0.355 7.134 1.00 1.14 C ATOM 0 H VAL A 103 117.028 2.213 5.038 1.00 1.15 H new ATOM 0 HA VAL A 103 117.314 -0.656 5.934 1.00 1.19 H new ATOM 0 HB VAL A 103 114.894 0.995 5.085 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.606 -1.100 5.412 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.811 -1.284 4.116 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.121 -1.982 5.724 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.078 0.394 7.358 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.598 -0.478 7.670 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.615 1.287 7.447 1.00 1.14 H new ATOM 1484 N PRO A 104 118.184 -0.781 3.465 1.00 1.29 N ATOM 1485 CA PRO A 104 118.485 -1.086 2.051 1.00 1.30 C ATOM 1486 C PRO A 104 117.508 -2.126 1.473 1.00 1.33 C ATOM 1487 O PRO A 104 117.503 -3.279 1.860 1.00 1.44 O ATOM 1488 CB PRO A 104 119.939 -1.623 2.061 1.00 1.42 C ATOM 1489 CG PRO A 104 120.439 -1.594 3.535 1.00 1.49 C ATOM 1490 CD PRO A 104 119.253 -1.154 4.418 1.00 1.41 C ATOM 0 HA PRO A 104 118.377 -0.206 1.417 1.00 1.30 H new ATOM 0 HB2 PRO A 104 119.976 -2.637 1.664 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.579 -1.009 1.427 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.798 -2.578 3.838 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.275 -0.903 3.643 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.931 -1.960 5.077 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.526 -0.312 5.055 1.00 1.41 H new ATOM 1498 N VAL A 105 116.706 -1.722 0.520 1.00 1.25 N ATOM 1499 CA VAL A 105 115.752 -2.664 -0.134 1.00 1.29 C ATOM 1500 C VAL A 105 116.409 -3.108 -1.455 1.00 1.35 C ATOM 1501 O VAL A 105 117.120 -2.337 -2.076 1.00 1.31 O ATOM 1502 CB VAL A 105 114.426 -1.919 -0.366 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.451 -2.757 -1.211 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.781 -1.609 0.994 1.00 1.15 C ATOM 0 H VAL A 105 116.673 -0.767 0.164 1.00 1.25 H new ATOM 0 HA VAL A 105 115.535 -3.544 0.472 1.00 1.29 H new ATOM 0 HB VAL A 105 114.639 -0.998 -0.908 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.525 -2.201 -1.356 1.00 1.26 H new ATOM 0 HG12 VAL A 105 113.901 -2.971 -2.180 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.236 -3.693 -0.696 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.840 -1.081 0.839 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.590 -2.540 1.527 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.454 -0.986 1.582 1.00 1.15 H new ATOM 1514 N ALA A 106 116.225 -4.353 -1.863 1.00 1.46 N ATOM 1515 CA ALA A 106 116.898 -4.858 -3.117 1.00 1.53 C ATOM 1516 C ALA A 106 115.925 -5.663 -4.017 1.00 1.59 C ATOM 1517 O ALA A 106 115.153 -6.470 -3.563 1.00 1.66 O ATOM 1518 CB ALA A 106 118.067 -5.756 -2.680 1.00 1.67 C ATOM 0 H ALA A 106 115.640 -5.038 -1.384 1.00 1.46 H new ATOM 0 HA ALA A 106 117.243 -4.009 -3.707 1.00 1.53 H new ATOM 0 HB1 ALA A 106 118.579 -6.141 -3.562 1.00 1.67 H new ATOM 0 HB2 ALA A 106 118.766 -5.176 -2.078 1.00 1.67 H new ATOM 0 HB3 ALA A 106 117.685 -6.589 -2.090 1.00 1.67 H new ATOM 1524 N SER A 107 115.988 -5.455 -5.304 1.00 1.59 N ATOM 1525 CA SER A 107 115.109 -6.208 -6.252 1.00 1.67 C ATOM 1526 C SER A 107 115.880 -7.439 -6.696 1.00 1.81 C ATOM 1527 O SER A 107 116.246 -7.574 -7.846 1.00 1.83 O ATOM 1528 CB SER A 107 114.799 -5.353 -7.484 1.00 1.60 C ATOM 1529 OG SER A 107 114.253 -4.109 -7.080 1.00 2.04 O ATOM 0 H SER A 107 116.619 -4.787 -5.747 1.00 1.59 H new ATOM 0 HA SER A 107 114.170 -6.472 -5.765 1.00 1.67 H new ATOM 0 HB2 SER A 107 115.708 -5.191 -8.063 1.00 1.60 H new ATOM 0 HB3 SER A 107 114.096 -5.875 -8.133 1.00 1.60 H new ATOM 0 HG SER A 107 114.058 -3.565 -7.871 1.00 2.04 H new ATOM 1535 N LEU A 108 116.170 -8.304 -5.772 1.00 1.98 N ATOM 1536 CA LEU A 108 116.974 -9.521 -6.087 1.00 2.16 C ATOM 1537 C LEU A 108 118.436 -9.079 -6.113 1.00 2.13 C ATOM 1538 O LEU A 108 119.353 -9.876 -6.079 1.00 2.33 O ATOM 1539 CB LEU A 108 116.558 -10.118 -7.453 1.00 2.25 C ATOM 1540 CG LEU A 108 116.767 -11.648 -7.454 1.00 2.76 C ATOM 1541 CD1 LEU A 108 115.557 -12.346 -6.821 1.00 3.20 C ATOM 1542 CD2 LEU A 108 116.930 -12.148 -8.894 1.00 3.20 C ATOM 0 H LEU A 108 115.882 -8.223 -4.797 1.00 1.98 H new ATOM 0 HA LEU A 108 116.812 -10.300 -5.342 1.00 2.16 H new ATOM 0 HB2 LEU A 108 115.512 -9.887 -7.656 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.145 -9.663 -8.251 1.00 2.25 H new ATOM 0 HG LEU A 108 117.663 -11.878 -6.878 1.00 2.76 H new ATOM 0 HD11 LEU A 108 115.715 -13.424 -6.827 1.00 3.20 H new ATOM 0 HD12 LEU A 108 115.435 -12.003 -5.794 1.00 3.20 H new ATOM 0 HD13 LEU A 108 114.660 -12.108 -7.392 1.00 3.20 H new ATOM 0 HD21 LEU A 108 117.077 -13.228 -8.890 1.00 3.20 H new ATOM 0 HD22 LEU A 108 116.035 -11.906 -9.467 1.00 3.20 H new ATOM 0 HD23 LEU A 108 117.794 -11.666 -9.351 1.00 3.20 H new ATOM 1554 N SER A 109 118.637 -7.789 -6.146 1.00 1.93 N ATOM 1555 CA SER A 109 120.010 -7.227 -6.147 1.00 1.92 C ATOM 1556 C SER A 109 120.650 -7.494 -4.787 1.00 2.00 C ATOM 1557 O SER A 109 121.857 -7.503 -4.647 1.00 2.09 O ATOM 1558 CB SER A 109 119.925 -5.729 -6.422 1.00 1.77 C ATOM 1559 OG SER A 109 119.030 -5.507 -7.504 1.00 2.06 O ATOM 0 H SER A 109 117.892 -7.093 -6.173 1.00 1.93 H new ATOM 0 HA SER A 109 120.621 -7.693 -6.920 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.579 -5.202 -5.533 1.00 1.77 H new ATOM 0 HB3 SER A 109 120.912 -5.334 -6.663 1.00 1.77 H new ATOM 0 HG SER A 109 118.969 -4.546 -7.686 1.00 2.06 H new ATOM 1565 N ASP A 110 119.846 -7.717 -3.778 1.00 1.99 N ATOM 1566 CA ASP A 110 120.406 -7.988 -2.420 1.00 2.10 C ATOM 1567 C ASP A 110 121.474 -6.943 -2.115 1.00 2.06 C ATOM 1568 O ASP A 110 122.314 -7.115 -1.255 1.00 2.19 O ATOM 1569 CB ASP A 110 121.032 -9.385 -2.392 1.00 2.32 C ATOM 1570 CG ASP A 110 121.412 -9.745 -0.955 1.00 2.37 C ATOM 1571 OD1 ASP A 110 120.540 -10.185 -0.225 1.00 2.85 O ATOM 1572 OD2 ASP A 110 122.570 -9.575 -0.610 1.00 2.61 O ATOM 0 H ASP A 110 118.828 -7.723 -3.836 1.00 1.99 H new ATOM 0 HA ASP A 110 119.613 -7.939 -1.674 1.00 2.10 H new ATOM 0 HB2 ASP A 110 120.329 -10.118 -2.788 1.00 2.32 H new ATOM 0 HB3 ASP A 110 121.915 -9.412 -3.031 1.00 2.32 H new ATOM 1836 N ARG B 8 114.054 11.811 -2.372 1.00 0.48 N ATOM 1837 CA ARG B 8 113.235 10.628 -2.755 1.00 0.50 C ATOM 1838 C ARG B 8 111.816 10.845 -2.234 1.00 0.48 C ATOM 1839 O ARG B 8 111.560 11.763 -1.481 1.00 0.96 O ATOM 1840 CB ARG B 8 113.846 9.356 -2.131 1.00 0.67 C ATOM 1841 CG ARG B 8 115.360 9.545 -1.962 1.00 0.80 C ATOM 1842 CD ARG B 8 116.054 8.186 -1.872 1.00 1.18 C ATOM 1843 NE ARG B 8 117.501 8.403 -1.591 1.00 1.76 N ATOM 1844 CZ ARG B 8 118.247 7.405 -1.212 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.728 6.217 -1.091 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.513 7.597 -0.958 1.00 2.64 N ATOM 0 HA ARG B 8 113.217 10.507 -3.838 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.384 9.154 -1.165 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.645 8.494 -2.767 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.760 10.111 -2.804 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.563 10.126 -1.062 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.603 7.583 -1.084 1.00 1.18 H new ATOM 0 HD3 ARG B 8 115.929 7.636 -2.805 1.00 1.18 H new ATOM 0 HE ARG B 8 117.907 9.333 -1.695 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.739 6.069 -1.293 1.00 3.04 H new ATOM 0 HH12 ARG B 8 118.310 5.434 -0.794 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.917 8.528 -1.056 1.00 2.64 H new ATOM 0 HH22 ARG B 8 120.098 6.816 -0.661 1.00 2.64 H new ATOM 1860 N VAL B 9 110.891 10.012 -2.611 1.00 0.42 N ATOM 1861 CA VAL B 9 109.504 10.191 -2.109 1.00 0.36 C ATOM 1862 C VAL B 9 109.558 10.302 -0.582 1.00 0.28 C ATOM 1863 O VAL B 9 110.493 9.842 0.044 1.00 0.38 O ATOM 1864 CB VAL B 9 108.658 8.990 -2.534 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.340 8.967 -1.753 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.355 9.091 -4.031 1.00 0.66 C ATOM 0 H VAL B 9 111.033 9.221 -3.240 1.00 0.42 H new ATOM 0 HA VAL B 9 109.054 11.094 -2.522 1.00 0.36 H new ATOM 0 HB VAL B 9 109.211 8.074 -2.326 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.747 8.107 -2.065 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.551 8.895 -0.686 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.783 9.883 -1.952 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.752 8.237 -4.339 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.807 10.012 -4.230 1.00 0.66 H new ATOM 0 HG23 VAL B 9 109.290 9.096 -4.592 1.00 0.66 H new ATOM 1876 N ALA B 10 108.577 10.926 0.018 1.00 0.27 N ATOM 1877 CA ALA B 10 108.574 11.095 1.509 1.00 0.35 C ATOM 1878 C ALA B 10 107.343 10.422 2.112 1.00 0.26 C ATOM 1879 O ALA B 10 106.300 10.339 1.494 1.00 0.40 O ATOM 1880 CB ALA B 10 108.542 12.587 1.843 1.00 0.58 C ATOM 0 H ALA B 10 107.772 11.329 -0.461 1.00 0.27 H new ATOM 0 HA ALA B 10 109.472 10.636 1.923 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.540 12.718 2.925 1.00 0.58 H new ATOM 0 HB2 ALA B 10 109.421 13.073 1.421 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.642 13.035 1.422 1.00 0.58 H new ATOM 1886 N SER B 11 107.459 9.945 3.324 1.00 0.23 N ATOM 1887 CA SER B 11 106.299 9.278 3.988 1.00 0.22 C ATOM 1888 C SER B 11 106.358 9.542 5.494 1.00 0.23 C ATOM 1889 O SER B 11 107.416 9.557 6.092 1.00 0.30 O ATOM 1890 CB SER B 11 106.359 7.773 3.732 1.00 0.36 C ATOM 1891 OG SER B 11 105.530 7.103 4.672 1.00 1.19 O ATOM 0 H SER B 11 108.310 9.989 3.885 1.00 0.23 H new ATOM 0 HA SER B 11 105.369 9.676 3.583 1.00 0.22 H new ATOM 0 HB2 SER B 11 106.030 7.552 2.717 1.00 0.36 H new ATOM 0 HB3 SER B 11 107.386 7.419 3.818 1.00 0.36 H new ATOM 0 HG SER B 11 105.565 6.137 4.509 1.00 1.19 H new ATOM 1897 N SER B 12 105.226 9.753 6.115 1.00 0.27 N ATOM 1898 CA SER B 12 105.209 10.021 7.586 1.00 0.35 C ATOM 1899 C SER B 12 103.970 9.374 8.207 1.00 0.31 C ATOM 1900 O SER B 12 102.851 9.672 7.840 1.00 0.41 O ATOM 1901 CB SER B 12 105.169 11.530 7.827 1.00 0.52 C ATOM 1902 OG SER B 12 106.139 12.163 7.003 1.00 1.38 O ATOM 0 H SER B 12 104.310 9.751 5.666 1.00 0.27 H new ATOM 0 HA SER B 12 106.106 9.603 8.043 1.00 0.35 H new ATOM 0 HB2 SER B 12 104.176 11.919 7.604 1.00 0.52 H new ATOM 0 HB3 SER B 12 105.368 11.748 8.876 1.00 0.52 H new ATOM 0 HG SER B 12 106.115 13.131 7.154 1.00 1.38 H new ATOM 1908 N VAL B 13 104.164 8.491 9.147 1.00 0.27 N ATOM 1909 CA VAL B 13 103.004 7.822 9.798 1.00 0.27 C ATOM 1910 C VAL B 13 103.466 7.170 11.098 1.00 0.32 C ATOM 1911 O VAL B 13 104.654 7.058 11.362 1.00 0.41 O ATOM 1912 CB VAL B 13 102.436 6.750 8.863 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.537 5.754 8.487 1.00 0.42 C ATOM 1914 CG2 VAL B 13 101.287 6.005 9.559 1.00 0.41 C ATOM 0 H VAL B 13 105.079 8.203 9.493 1.00 0.27 H new ATOM 0 HA VAL B 13 102.230 8.560 10.011 1.00 0.27 H new ATOM 0 HB VAL B 13 102.059 7.231 7.960 1.00 0.32 H new ATOM 0 HG11 VAL B 13 103.128 4.993 7.822 1.00 0.42 H new ATOM 0 HG12 VAL B 13 104.347 6.280 7.982 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.921 5.278 9.389 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.888 5.244 8.888 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.659 5.530 10.467 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.498 6.712 9.816 1.00 0.41 H new ATOM 1924 N PHE B 14 102.539 6.732 11.911 1.00 0.36 N ATOM 1925 CA PHE B 14 102.936 6.082 13.189 1.00 0.45 C ATOM 1926 C PHE B 14 101.725 5.569 13.969 1.00 0.34 C ATOM 1927 O PHE B 14 100.620 5.505 13.469 1.00 0.35 O ATOM 1928 CB PHE B 14 103.680 7.075 14.067 1.00 0.59 C ATOM 1929 CG PHE B 14 102.750 8.153 14.578 1.00 0.71 C ATOM 1930 CD1 PHE B 14 102.203 9.083 13.688 1.00 0.70 C ATOM 1931 CD2 PHE B 14 102.450 8.232 15.945 1.00 1.40 C ATOM 1932 CE1 PHE B 14 101.355 10.089 14.161 1.00 1.03 C ATOM 1933 CE2 PHE B 14 101.604 9.239 16.418 1.00 1.79 C ATOM 1934 CZ PHE B 14 101.055 10.168 15.527 1.00 1.54 C ATOM 0 H PHE B 14 101.535 6.797 11.745 1.00 0.36 H new ATOM 0 HA PHE B 14 103.574 5.236 12.933 1.00 0.45 H new ATOM 0 HB2 PHE B 14 104.133 6.552 14.909 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.492 7.530 13.500 1.00 0.59 H new ATOM 0 HD1 PHE B 14 102.436 9.024 12.635 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.873 7.515 16.633 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.931 10.805 13.473 1.00 1.03 H new ATOM 0 HE2 PHE B 14 101.374 9.300 17.471 1.00 1.79 H new ATOM 0 HZ PHE B 14 100.400 10.945 15.892 1.00 1.54 H new ATOM 1944 N ILE B 15 101.949 5.202 15.211 1.00 0.34 N ATOM 1945 CA ILE B 15 100.850 4.685 16.067 1.00 0.33 C ATOM 1946 C ILE B 15 101.162 5.011 17.538 1.00 0.31 C ATOM 1947 O ILE B 15 102.269 5.390 17.882 1.00 0.58 O ATOM 1948 CB ILE B 15 100.758 3.163 15.887 1.00 0.51 C ATOM 1949 CG1 ILE B 15 102.165 2.588 15.700 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.910 2.825 14.656 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.103 1.059 15.742 1.00 1.25 C ATOM 0 H ILE B 15 102.861 5.242 15.666 1.00 0.34 H new ATOM 0 HA ILE B 15 99.904 5.148 15.785 1.00 0.33 H new ATOM 0 HB ILE B 15 100.292 2.730 16.772 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.581 2.919 14.749 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.827 2.957 16.483 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.853 1.743 14.540 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.906 3.230 14.783 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.367 3.262 13.768 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.105 0.650 15.609 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.705 0.737 16.704 1.00 1.25 H new ATOM 0 HD13 ILE B 15 101.455 0.699 14.943 1.00 1.25 H new ATOM 1963 N THR B 16 100.190 4.856 18.407 1.00 0.35 N ATOM 1964 CA THR B 16 100.403 5.142 19.864 1.00 0.47 C ATOM 1965 C THR B 16 100.078 3.883 20.672 1.00 0.31 C ATOM 1966 O THR B 16 99.033 3.284 20.512 1.00 0.35 O ATOM 1967 CB THR B 16 99.476 6.281 20.300 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.657 6.530 21.687 1.00 1.61 O ATOM 1969 CG2 THR B 16 98.020 5.895 20.035 1.00 1.40 C ATOM 0 H THR B 16 99.250 4.541 18.167 1.00 0.35 H new ATOM 0 HA THR B 16 101.439 5.433 20.036 1.00 0.47 H new ATOM 0 HB THR B 16 99.716 7.180 19.732 1.00 0.75 H new ATOM 0 HG1 THR B 16 99.066 7.260 21.968 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.365 6.709 20.347 1.00 1.40 H new ATOM 0 HG22 THR B 16 97.882 5.706 18.970 1.00 1.40 H new ATOM 0 HG23 THR B 16 97.774 4.995 20.598 1.00 1.40 H new ATOM 1977 N LEU B 17 100.971 3.470 21.535 1.00 0.39 N ATOM 1978 CA LEU B 17 100.723 2.241 22.353 1.00 0.44 C ATOM 1979 C LEU B 17 100.196 2.634 23.736 1.00 0.31 C ATOM 1980 O LEU B 17 100.504 3.689 24.255 1.00 0.54 O ATOM 1981 CB LEU B 17 102.036 1.465 22.511 1.00 0.72 C ATOM 1982 CG LEU B 17 102.785 1.446 21.177 1.00 0.83 C ATOM 1983 CD1 LEU B 17 104.020 0.548 21.295 1.00 1.06 C ATOM 1984 CD2 LEU B 17 101.863 0.903 20.079 1.00 1.32 C ATOM 0 H LEU B 17 101.864 3.931 21.710 1.00 0.39 H new ATOM 0 HA LEU B 17 99.983 1.617 21.851 1.00 0.44 H new ATOM 0 HB2 LEU B 17 102.654 1.929 23.280 1.00 0.72 H new ATOM 0 HB3 LEU B 17 101.831 0.446 22.839 1.00 0.72 H new ATOM 0 HG LEU B 17 103.096 2.459 20.923 1.00 0.83 H new ATOM 0 HD11 LEU B 17 104.553 0.535 20.344 1.00 1.06 H new ATOM 0 HD12 LEU B 17 104.677 0.934 22.074 1.00 1.06 H new ATOM 0 HD13 LEU B 17 103.710 -0.465 21.551 1.00 1.06 H new ATOM 0 HD21 LEU B 17 102.397 0.890 19.129 1.00 1.32 H new ATOM 0 HD22 LEU B 17 101.551 -0.110 20.334 1.00 1.32 H new ATOM 0 HD23 LEU B 17 100.985 1.542 19.992 1.00 1.32 H new