USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=22 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 60 LYS NZ :NH3+ -160:sc= -0.0101 (180deg=-0.678) USER MOD Set 1.2: B 11 SER OG : rot 180:sc= -1.61 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -173:sc= -0.671! (180deg=-0.572) USER MOD Set 2.2: A 43 THR OG1 : rot -179:sc= -1.38! USER MOD Single : A 19 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.45) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 90:sc= 0.463 USER MOD Single : A 59 SER OG : rot 136:sc= -0.794 USER MOD Single : A 72 SER OG : rot -127:sc= -0.428 USER MOD Single : A 73 CYS SG : rot 180:sc= 0.00493 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -28:sc= 1.16 USER MOD Single : A 80 GLN :FLIP amide:sc= -4.26! C(o=-6.2!,f=-4.3!) USER MOD Single : A 85 TYR OH : rot -5:sc= -0.0924 USER MOD Single : A 88 SER OG : rot -150:sc= -0.704 USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= -3.36 (180deg=-3.71) USER MOD Single : A 92 ASN : amide:sc= 0.255 K(o=0.25,f=-0.94) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.834 F(o=-2.1,f=-0.83) USER MOD Single : A 99 SER OG : rot -160:sc= -1.31 USER MOD Single : A 107 SER OG : rot 47:sc= 0.662 USER MOD Single : A 109 SER OG : rot 180:sc= -0.219 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 44:sc= 0.0718 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 113.712 7.296 28.674 1.00 2.21 N ATOM 228 CA GLY A 16 112.274 6.922 28.604 1.00 2.06 C ATOM 229 C GLY A 16 112.014 5.984 27.423 1.00 1.98 C ATOM 230 O GLY A 16 112.097 6.375 26.277 1.00 2.44 O ATOM 0 HA2 GLY A 16 111.974 6.437 29.533 1.00 2.06 H new ATOM 0 HA3 GLY A 16 111.664 7.820 28.502 1.00 2.06 H new ATOM 234 N GLY A 17 111.674 4.753 27.701 1.00 1.81 N ATOM 235 CA GLY A 17 111.375 3.784 26.606 1.00 1.74 C ATOM 236 C GLY A 17 112.661 3.247 25.981 1.00 1.78 C ATOM 237 O GLY A 17 112.851 2.054 25.862 1.00 1.80 O ATOM 0 H GLY A 17 111.590 4.375 28.645 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.785 2.956 27.000 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.771 4.271 25.841 1.00 1.74 H new ATOM 241 N ALA A 18 113.538 4.109 25.569 1.00 1.84 N ATOM 242 CA ALA A 18 114.805 3.632 24.936 1.00 1.96 C ATOM 243 C ALA A 18 115.471 2.568 25.821 1.00 2.07 C ATOM 244 O ALA A 18 116.459 1.970 25.442 1.00 2.21 O ATOM 245 CB ALA A 18 115.761 4.823 24.739 1.00 2.09 C ATOM 0 H ALA A 18 113.440 5.122 25.640 1.00 1.84 H new ATOM 0 HA ALA A 18 114.575 3.188 23.967 1.00 1.96 H new ATOM 0 HB1 ALA A 18 116.685 4.475 24.277 1.00 2.09 H new ATOM 0 HB2 ALA A 18 115.290 5.565 24.094 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.986 5.273 25.706 1.00 2.09 H new ATOM 251 N HIS A 19 114.952 2.337 27.000 1.00 2.06 N ATOM 252 CA HIS A 19 115.566 1.327 27.914 1.00 2.21 C ATOM 253 C HIS A 19 114.807 -0.006 27.839 1.00 2.15 C ATOM 254 O HIS A 19 115.220 -0.984 28.430 1.00 2.33 O ATOM 255 CB HIS A 19 115.513 1.864 29.348 1.00 2.33 C ATOM 256 CG HIS A 19 115.961 0.799 30.313 1.00 2.51 C ATOM 257 ND1 HIS A 19 115.090 0.206 31.214 1.00 2.79 N ATOM 258 CD2 HIS A 19 117.182 0.209 30.529 1.00 2.86 C ATOM 259 CE1 HIS A 19 115.792 -0.696 31.924 1.00 2.87 C ATOM 260 NE2 HIS A 19 117.073 -0.735 31.546 1.00 2.87 N ATOM 0 H HIS A 19 114.126 2.807 27.370 1.00 2.06 H new ATOM 0 HA HIS A 19 116.599 1.153 27.611 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.152 2.742 29.440 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.498 2.181 29.589 1.00 2.33 H new ATOM 0 HD2 HIS A 19 118.089 0.442 29.991 1.00 2.86 H new ATOM 0 HE1 HIS A 19 115.371 -1.313 32.704 1.00 2.87 H new ATOM 0 HE2 HIS A 19 117.812 -1.329 31.922 1.00 2.87 H new ATOM 268 N LYS A 20 113.702 -0.061 27.131 1.00 2.02 N ATOM 269 CA LYS A 20 112.929 -1.346 27.041 1.00 2.01 C ATOM 270 C LYS A 20 112.453 -1.578 25.607 1.00 1.90 C ATOM 271 O LYS A 20 111.781 -2.547 25.322 1.00 1.96 O ATOM 272 CB LYS A 20 111.717 -1.284 27.984 1.00 1.99 C ATOM 273 CG LYS A 20 110.857 -0.025 27.698 1.00 1.81 C ATOM 274 CD LYS A 20 109.630 -0.388 26.846 1.00 1.74 C ATOM 275 CE LYS A 20 108.900 0.890 26.415 1.00 1.58 C ATOM 276 NZ LYS A 20 107.486 0.563 26.076 1.00 1.94 N ATOM 0 H LYS A 20 113.303 0.722 26.614 1.00 2.02 H new ATOM 0 HA LYS A 20 113.578 -2.171 27.334 1.00 2.01 H new ATOM 0 HB2 LYS A 20 111.109 -2.180 27.861 1.00 1.99 H new ATOM 0 HB3 LYS A 20 112.057 -1.269 29.019 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.534 0.422 28.638 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.458 0.722 27.180 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.940 -0.954 25.968 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.956 -1.028 27.416 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.932 1.628 27.217 1.00 1.58 H new ATOM 0 HE3 LYS A 20 109.399 1.334 25.553 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 107.023 1.402 25.672 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 107.466 -0.212 25.383 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.981 0.270 26.937 1.00 1.94 H new ATOM 290 N VAL A 21 112.801 -0.710 24.696 1.00 1.80 N ATOM 291 CA VAL A 21 112.367 -0.905 23.281 1.00 1.71 C ATOM 292 C VAL A 21 113.391 -1.771 22.556 1.00 1.76 C ATOM 293 O VAL A 21 114.526 -1.385 22.358 1.00 1.81 O ATOM 294 CB VAL A 21 112.248 0.454 22.585 1.00 1.64 C ATOM 295 CG1 VAL A 21 112.002 0.255 21.086 1.00 2.07 C ATOM 296 CG2 VAL A 21 111.072 1.224 23.183 1.00 1.75 C ATOM 0 H VAL A 21 113.365 0.123 24.868 1.00 1.80 H new ATOM 0 HA VAL A 21 111.396 -1.399 23.261 1.00 1.71 H new ATOM 0 HB VAL A 21 113.174 1.011 22.729 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.919 1.227 20.599 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.834 -0.299 20.651 1.00 2.07 H new ATOM 0 HG13 VAL A 21 111.078 -0.305 20.940 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.983 2.192 22.691 1.00 1.75 H new ATOM 0 HG22 VAL A 21 110.153 0.657 23.036 1.00 1.75 H new ATOM 0 HG23 VAL A 21 111.240 1.373 24.250 1.00 1.75 H new ATOM 306 N ARG A 22 112.985 -2.947 22.163 1.00 1.78 N ATOM 307 CA ARG A 22 113.898 -3.883 21.445 1.00 1.85 C ATOM 308 C ARG A 22 113.393 -4.064 20.014 1.00 1.74 C ATOM 309 O ARG A 22 112.209 -4.186 19.774 1.00 1.66 O ATOM 310 CB ARG A 22 113.885 -5.225 22.189 1.00 1.96 C ATOM 311 CG ARG A 22 114.803 -6.257 21.504 1.00 2.03 C ATOM 312 CD ARG A 22 116.267 -6.012 21.895 1.00 2.18 C ATOM 313 NE ARG A 22 116.403 -6.035 23.380 1.00 2.75 N ATOM 314 CZ ARG A 22 117.584 -6.142 23.925 1.00 3.10 C ATOM 315 NH1 ARG A 22 118.646 -6.229 23.172 1.00 3.50 N ATOM 316 NH2 ARG A 22 117.703 -6.163 25.225 1.00 3.33 N ATOM 0 H ARG A 22 112.042 -3.306 22.312 1.00 1.78 H new ATOM 0 HA ARG A 22 114.915 -3.492 21.413 1.00 1.85 H new ATOM 0 HB2 ARG A 22 114.209 -5.075 23.219 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.866 -5.611 22.228 1.00 1.96 H new ATOM 0 HG2 ARG A 22 114.507 -7.265 21.793 1.00 2.03 H new ATOM 0 HG3 ARG A 22 114.693 -6.190 20.422 1.00 2.03 H new ATOM 0 HD2 ARG A 22 116.905 -6.776 21.450 1.00 2.18 H new ATOM 0 HD3 ARG A 22 116.601 -5.051 21.505 1.00 2.18 H new ATOM 0 HE ARG A 22 115.573 -5.967 23.969 1.00 2.75 H new ATOM 0 HH11 ARG A 22 118.554 -6.213 22.156 1.00 3.50 H new ATOM 0 HH12 ARG A 22 119.569 -6.313 23.599 1.00 3.50 H new ATOM 0 HH21 ARG A 22 116.873 -6.096 25.814 1.00 3.33 H new ATOM 0 HH22 ARG A 22 118.626 -6.247 25.651 1.00 3.33 H new ATOM 330 N ALA A 23 114.286 -4.082 19.062 1.00 1.77 N ATOM 331 CA ALA A 23 113.872 -4.256 17.640 1.00 1.68 C ATOM 332 C ALA A 23 114.961 -5.028 16.896 1.00 1.77 C ATOM 333 O ALA A 23 116.063 -4.550 16.716 1.00 1.83 O ATOM 334 CB ALA A 23 113.684 -2.882 16.993 1.00 1.59 C ATOM 0 H ALA A 23 115.290 -3.983 19.209 1.00 1.77 H new ATOM 0 HA ALA A 23 112.933 -4.807 17.592 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.381 -3.008 15.953 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.914 -2.329 17.531 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.623 -2.329 17.033 1.00 1.59 H new ATOM 340 N GLY A 24 114.662 -6.223 16.465 1.00 1.80 N ATOM 341 CA GLY A 24 115.680 -7.035 15.735 1.00 1.90 C ATOM 342 C GLY A 24 114.979 -7.996 14.773 1.00 1.86 C ATOM 343 O GLY A 24 114.062 -8.703 15.143 1.00 1.86 O ATOM 0 H GLY A 24 113.755 -6.674 16.587 1.00 1.80 H new ATOM 0 HA2 GLY A 24 116.354 -6.380 15.183 1.00 1.90 H new ATOM 0 HA3 GLY A 24 116.289 -7.595 16.444 1.00 1.90 H new ATOM 347 N GLY A 25 115.402 -8.026 13.539 1.00 1.85 N ATOM 348 CA GLY A 25 114.762 -8.943 12.555 1.00 1.84 C ATOM 349 C GLY A 25 115.454 -8.804 11.199 1.00 1.84 C ATOM 350 O GLY A 25 116.390 -8.045 11.043 1.00 1.84 O ATOM 0 H GLY A 25 116.163 -7.455 13.170 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.830 -9.973 12.905 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.702 -8.708 12.459 1.00 1.84 H new ATOM 354 N THR A 26 114.997 -9.525 10.212 1.00 1.86 N ATOM 355 CA THR A 26 115.625 -9.427 8.865 1.00 1.87 C ATOM 356 C THR A 26 115.114 -8.164 8.168 1.00 1.75 C ATOM 357 O THR A 26 115.779 -7.589 7.323 1.00 1.76 O ATOM 358 CB THR A 26 115.250 -10.657 8.034 1.00 1.96 C ATOM 359 OG1 THR A 26 113.873 -10.953 8.225 1.00 2.31 O ATOM 360 CG2 THR A 26 116.096 -11.855 8.473 1.00 2.29 C ATOM 0 H THR A 26 114.216 -10.177 10.281 1.00 1.86 H new ATOM 0 HA THR A 26 116.709 -9.379 8.967 1.00 1.87 H new ATOM 0 HB THR A 26 115.437 -10.452 6.980 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.630 -11.739 7.692 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.826 -12.728 7.879 1.00 2.29 H new ATOM 0 HG22 THR A 26 117.152 -11.628 8.326 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.913 -12.063 9.527 1.00 2.29 H new ATOM 368 N GLY A 27 113.939 -7.724 8.526 1.00 1.64 N ATOM 369 CA GLY A 27 113.382 -6.496 7.901 1.00 1.54 C ATOM 370 C GLY A 27 114.237 -5.311 8.331 1.00 1.50 C ATOM 371 O GLY A 27 114.225 -4.260 7.722 1.00 1.46 O ATOM 0 H GLY A 27 113.341 -8.164 9.226 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.381 -6.589 6.815 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.347 -6.349 8.209 1.00 1.54 H new ATOM 375 N LEU A 28 114.991 -5.487 9.380 1.00 1.57 N ATOM 376 CA LEU A 28 115.873 -4.393 9.871 1.00 1.59 C ATOM 377 C LEU A 28 117.227 -4.512 9.175 1.00 1.69 C ATOM 378 O LEU A 28 118.251 -4.149 9.719 1.00 1.83 O ATOM 379 CB LEU A 28 116.067 -4.541 11.384 1.00 1.65 C ATOM 380 CG LEU A 28 114.803 -4.092 12.134 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.916 -4.518 13.604 1.00 1.66 C ATOM 382 CD2 LEU A 28 114.633 -2.559 12.048 1.00 1.61 C ATOM 0 H LEU A 28 115.034 -6.350 9.922 1.00 1.57 H new ATOM 0 HA LEU A 28 115.424 -3.423 9.656 1.00 1.59 H new ATOM 0 HB2 LEU A 28 116.293 -5.579 11.628 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.920 -3.945 11.707 1.00 1.65 H new ATOM 0 HG LEU A 28 113.932 -4.560 11.675 1.00 1.58 H new ATOM 0 HD11 LEU A 28 114.023 -4.203 14.144 1.00 1.66 H new ATOM 0 HD12 LEU A 28 115.012 -5.602 13.662 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.794 -4.052 14.052 1.00 1.66 H new ATOM 0 HD21 LEU A 28 113.732 -2.262 12.585 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.499 -2.071 12.495 1.00 1.61 H new ATOM 0 HD23 LEU A 28 114.547 -2.260 11.003 1.00 1.61 H new ATOM 394 N GLU A 29 117.237 -5.029 7.974 1.00 1.73 N ATOM 395 CA GLU A 29 118.520 -5.190 7.228 1.00 1.84 C ATOM 396 C GLU A 29 118.305 -4.839 5.754 1.00 1.75 C ATOM 397 O GLU A 29 118.880 -3.898 5.245 1.00 1.78 O ATOM 398 CB GLU A 29 118.991 -6.643 7.343 1.00 2.00 C ATOM 399 CG GLU A 29 118.804 -7.126 8.783 1.00 2.06 C ATOM 400 CD GLU A 29 119.511 -8.469 8.968 1.00 1.98 C ATOM 401 OE1 GLU A 29 120.002 -8.998 7.984 1.00 2.34 O ATOM 402 OE2 GLU A 29 119.550 -8.946 10.090 1.00 2.21 O ATOM 0 H GLU A 29 116.407 -5.348 7.475 1.00 1.73 H new ATOM 0 HA GLU A 29 119.273 -4.525 7.650 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.425 -7.275 6.659 1.00 2.00 H new ATOM 0 HB3 GLU A 29 120.039 -6.721 7.055 1.00 2.00 H new ATOM 0 HG2 GLU A 29 119.209 -6.391 9.479 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.742 -7.228 9.008 1.00 2.06 H new ATOM 409 N ARG A 30 117.486 -5.590 5.059 1.00 1.69 N ATOM 410 CA ARG A 30 117.251 -5.291 3.609 1.00 1.64 C ATOM 411 C ARG A 30 115.823 -5.682 3.210 1.00 1.59 C ATOM 412 O ARG A 30 115.125 -6.363 3.935 1.00 1.61 O ATOM 413 CB ARG A 30 118.244 -6.093 2.748 1.00 1.75 C ATOM 414 CG ARG A 30 119.614 -6.158 3.433 1.00 2.21 C ATOM 415 CD ARG A 30 120.595 -6.919 2.536 1.00 2.47 C ATOM 416 NE ARG A 30 121.778 -7.344 3.335 1.00 2.96 N ATOM 417 CZ ARG A 30 122.584 -8.259 2.869 1.00 3.36 C ATOM 418 NH1 ARG A 30 122.350 -8.803 1.706 1.00 3.77 N ATOM 419 NH2 ARG A 30 123.622 -8.632 3.566 1.00 3.76 N ATOM 0 H ARG A 30 116.973 -6.391 5.428 1.00 1.69 H new ATOM 0 HA ARG A 30 117.393 -4.222 3.447 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.863 -7.101 2.586 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.342 -5.628 1.767 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.985 -5.151 3.625 1.00 2.21 H new ATOM 0 HG3 ARG A 30 119.527 -6.655 4.399 1.00 2.21 H new ATOM 0 HD2 ARG A 30 120.105 -7.790 2.102 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.912 -6.286 1.707 1.00 2.47 H new ATOM 0 HE ARG A 30 121.958 -6.921 4.245 1.00 2.96 H new ATOM 0 HH11 ARG A 30 121.538 -8.513 1.162 1.00 3.77 H new ATOM 0 HH12 ARG A 30 122.980 -9.518 1.341 1.00 3.77 H new ATOM 0 HH21 ARG A 30 123.804 -8.209 4.476 1.00 3.76 H new ATOM 0 HH22 ARG A 30 124.251 -9.347 3.201 1.00 3.76 H new ATOM 433 N GLY A 31 115.399 -5.270 2.041 1.00 1.54 N ATOM 434 CA GLY A 31 114.034 -5.623 1.551 1.00 1.52 C ATOM 435 C GLY A 31 114.130 -5.831 0.041 1.00 1.55 C ATOM 436 O GLY A 31 115.168 -5.595 -0.545 1.00 1.57 O ATOM 0 H GLY A 31 115.948 -4.698 1.399 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.672 -6.527 2.041 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.325 -4.829 1.785 1.00 1.52 H new ATOM 440 N VAL A 32 113.078 -6.281 -0.602 1.00 1.56 N ATOM 441 CA VAL A 32 113.147 -6.509 -2.085 1.00 1.60 C ATOM 442 C VAL A 32 111.913 -5.926 -2.786 1.00 1.53 C ATOM 443 O VAL A 32 110.840 -5.829 -2.223 1.00 1.50 O ATOM 444 CB VAL A 32 113.255 -8.017 -2.349 1.00 1.75 C ATOM 445 CG1 VAL A 32 112.989 -8.331 -3.828 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.659 -8.509 -1.971 1.00 1.83 C ATOM 0 H VAL A 32 112.180 -6.499 -0.170 1.00 1.56 H new ATOM 0 HA VAL A 32 114.024 -6.002 -2.488 1.00 1.60 H new ATOM 0 HB VAL A 32 112.507 -8.527 -1.742 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.071 -9.405 -3.992 1.00 1.80 H new ATOM 0 HG12 VAL A 32 111.986 -7.998 -4.096 1.00 1.80 H new ATOM 0 HG13 VAL A 32 113.721 -7.813 -4.447 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.732 -9.580 -2.160 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.402 -7.983 -2.570 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.841 -8.313 -0.914 1.00 1.83 H new ATOM 456 N ALA A 33 112.086 -5.526 -4.019 1.00 1.51 N ATOM 457 CA ALA A 33 110.967 -4.924 -4.810 1.00 1.46 C ATOM 458 C ALA A 33 109.641 -5.678 -4.613 1.00 1.53 C ATOM 459 O ALA A 33 109.477 -6.808 -5.029 1.00 1.64 O ATOM 460 CB ALA A 33 111.358 -4.935 -6.308 1.00 1.51 C ATOM 0 H ALA A 33 112.971 -5.592 -4.521 1.00 1.51 H new ATOM 0 HA ALA A 33 110.811 -3.904 -4.458 1.00 1.46 H new ATOM 0 HB1 ALA A 33 110.552 -4.499 -6.898 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.268 -4.352 -6.451 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.530 -5.962 -6.632 1.00 1.51 H new ATOM 466 N GLY A 34 108.685 -5.014 -4.027 1.00 1.46 N ATOM 467 CA GLY A 34 107.334 -5.608 -3.834 1.00 1.52 C ATOM 468 C GLY A 34 107.408 -6.932 -3.080 1.00 1.62 C ATOM 469 O GLY A 34 106.803 -7.906 -3.483 1.00 1.73 O ATOM 0 H GLY A 34 108.786 -4.065 -3.667 1.00 1.46 H new ATOM 0 HA2 GLY A 34 106.704 -4.910 -3.284 1.00 1.52 H new ATOM 0 HA3 GLY A 34 106.863 -5.766 -4.804 1.00 1.52 H new ATOM 473 N VAL A 35 108.126 -6.978 -1.985 1.00 1.59 N ATOM 474 CA VAL A 35 108.220 -8.245 -1.190 1.00 1.69 C ATOM 475 C VAL A 35 107.856 -7.939 0.286 1.00 1.61 C ATOM 476 O VAL A 35 108.480 -7.081 0.879 1.00 1.55 O ATOM 477 CB VAL A 35 109.657 -8.780 -1.278 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.892 -9.848 -0.204 1.00 2.04 C ATOM 479 CG2 VAL A 35 109.872 -9.403 -2.661 1.00 2.19 C ATOM 0 H VAL A 35 108.653 -6.191 -1.605 1.00 1.59 H new ATOM 0 HA VAL A 35 107.532 -8.994 -1.583 1.00 1.69 H new ATOM 0 HB VAL A 35 110.356 -7.958 -1.120 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.914 -10.219 -0.277 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.734 -9.413 0.783 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.195 -10.673 -0.353 1.00 2.04 H new ATOM 0 HG21 VAL A 35 110.890 -9.786 -2.733 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.166 -10.220 -2.806 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.714 -8.646 -3.429 1.00 2.19 H new ATOM 489 N PRO A 36 106.869 -8.623 0.862 1.00 1.67 N ATOM 490 CA PRO A 36 106.493 -8.357 2.265 1.00 1.61 C ATOM 491 C PRO A 36 107.688 -8.633 3.189 1.00 1.61 C ATOM 492 O PRO A 36 108.103 -9.762 3.360 1.00 1.74 O ATOM 493 CB PRO A 36 105.316 -9.320 2.562 1.00 1.76 C ATOM 494 CG PRO A 36 105.079 -10.174 1.284 1.00 1.96 C ATOM 495 CD PRO A 36 106.065 -9.681 0.201 1.00 1.85 C ATOM 0 HA PRO A 36 106.204 -7.319 2.431 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.549 -9.960 3.413 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.418 -8.760 2.821 1.00 1.76 H new ATOM 0 HG2 PRO A 36 105.240 -11.231 1.495 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.050 -10.071 0.940 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.699 -10.494 -0.154 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.534 -9.289 -0.666 1.00 1.85 H new ATOM 503 N ALA A 37 108.232 -7.604 3.791 1.00 1.53 N ATOM 504 CA ALA A 37 109.393 -7.782 4.719 1.00 1.62 C ATOM 505 C ALA A 37 108.924 -7.487 6.138 1.00 1.53 C ATOM 506 O ALA A 37 107.924 -6.825 6.337 1.00 1.52 O ATOM 507 CB ALA A 37 110.504 -6.801 4.338 1.00 1.69 C ATOM 0 H ALA A 37 107.919 -6.640 3.678 1.00 1.53 H new ATOM 0 HA ALA A 37 109.775 -8.801 4.652 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.350 -6.930 5.013 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.824 -6.994 3.314 1.00 1.69 H new ATOM 0 HB3 ALA A 37 110.130 -5.780 4.415 1.00 1.69 H new ATOM 513 N GLU A 38 109.617 -7.966 7.135 1.00 1.50 N ATOM 514 CA GLU A 38 109.160 -7.685 8.523 1.00 1.45 C ATOM 515 C GLU A 38 110.281 -7.886 9.530 1.00 1.50 C ATOM 516 O GLU A 38 111.333 -8.418 9.237 1.00 1.60 O ATOM 517 CB GLU A 38 107.982 -8.613 8.881 1.00 1.54 C ATOM 518 CG GLU A 38 108.490 -10.006 9.284 1.00 1.68 C ATOM 519 CD GLU A 38 107.347 -11.020 9.192 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.949 -11.334 8.082 1.00 2.12 O ATOM 521 OE2 GLU A 38 106.889 -11.463 10.232 1.00 2.23 O ATOM 0 H GLU A 38 110.463 -8.529 7.051 1.00 1.50 H new ATOM 0 HA GLU A 38 108.843 -6.643 8.566 1.00 1.45 H new ATOM 0 HB2 GLU A 38 107.407 -8.180 9.699 1.00 1.54 H new ATOM 0 HB3 GLU A 38 107.308 -8.699 8.028 1.00 1.54 H new ATOM 0 HG2 GLU A 38 109.309 -10.307 8.631 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.885 -9.980 10.300 1.00 1.68 H new ATOM 528 N PHE A 39 110.020 -7.477 10.732 1.00 1.46 N ATOM 529 CA PHE A 39 111.002 -7.637 11.826 1.00 1.54 C ATOM 530 C PHE A 39 110.222 -7.647 13.134 1.00 1.53 C ATOM 531 O PHE A 39 109.014 -7.512 13.140 1.00 1.50 O ATOM 532 CB PHE A 39 112.030 -6.499 11.811 1.00 1.54 C ATOM 533 CG PHE A 39 111.340 -5.154 11.861 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.610 -4.701 10.758 1.00 1.36 C ATOM 535 CD2 PHE A 39 111.448 -4.351 13.004 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.983 -3.450 10.797 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.825 -3.100 13.042 1.00 1.37 C ATOM 538 CZ PHE A 39 110.091 -2.649 11.940 1.00 1.30 C ATOM 0 H PHE A 39 109.146 -7.028 11.007 1.00 1.46 H new ATOM 0 HA PHE A 39 111.559 -8.566 11.706 1.00 1.54 H new ATOM 0 HB2 PHE A 39 112.704 -6.600 12.662 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.641 -6.566 10.911 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.530 -5.317 9.875 1.00 1.36 H new ATOM 0 HD2 PHE A 39 112.013 -4.699 13.856 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.416 -3.103 9.946 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.911 -2.481 13.923 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.608 -1.684 11.971 1.00 1.30 H new ATOM 548 N SER A 40 110.887 -7.831 14.235 1.00 1.60 N ATOM 549 CA SER A 40 110.175 -7.885 15.552 1.00 1.61 C ATOM 550 C SER A 40 110.397 -6.589 16.339 1.00 1.59 C ATOM 551 O SER A 40 111.406 -5.927 16.200 1.00 1.64 O ATOM 552 CB SER A 40 110.724 -9.062 16.359 1.00 1.73 C ATOM 553 OG SER A 40 110.227 -10.276 15.812 1.00 2.37 O ATOM 0 H SER A 40 111.899 -7.948 14.287 1.00 1.60 H new ATOM 0 HA SER A 40 109.106 -8.007 15.375 1.00 1.61 H new ATOM 0 HB2 SER A 40 111.814 -9.058 16.335 1.00 1.73 H new ATOM 0 HB3 SER A 40 110.427 -8.972 17.404 1.00 1.73 H new ATOM 0 HG SER A 40 110.578 -11.034 16.325 1.00 2.37 H new ATOM 559 N ILE A 41 109.460 -6.241 17.185 1.00 1.54 N ATOM 560 CA ILE A 41 109.597 -5.006 18.018 1.00 1.54 C ATOM 561 C ILE A 41 108.991 -5.274 19.396 1.00 1.60 C ATOM 562 O ILE A 41 107.820 -5.044 19.625 1.00 1.65 O ATOM 563 CB ILE A 41 108.853 -3.836 17.368 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.256 -3.719 15.893 1.00 1.47 C ATOM 565 CG2 ILE A 41 109.210 -2.538 18.102 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.714 -2.407 15.303 1.00 1.34 C ATOM 0 H ILE A 41 108.598 -6.765 17.336 1.00 1.54 H new ATOM 0 HA ILE A 41 110.653 -4.749 18.105 1.00 1.54 H new ATOM 0 HB ILE A 41 107.779 -4.010 17.432 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.342 -3.748 15.801 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.866 -4.568 15.332 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.682 -1.703 17.642 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.917 -2.620 19.149 1.00 1.50 H new ATOM 0 HG23 ILE A 41 110.285 -2.367 18.038 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.005 -2.332 14.255 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.627 -2.395 15.380 1.00 1.34 H new ATOM 0 HD13 ILE A 41 109.126 -1.562 15.855 1.00 1.34 H new ATOM 578 N TRP A 42 109.777 -5.759 20.318 1.00 1.65 N ATOM 579 CA TRP A 42 109.249 -6.045 21.685 1.00 1.71 C ATOM 580 C TRP A 42 109.448 -4.804 22.565 1.00 1.77 C ATOM 581 O TRP A 42 110.451 -4.124 22.477 1.00 1.78 O ATOM 582 CB TRP A 42 110.016 -7.241 22.263 1.00 1.88 C ATOM 583 CG TRP A 42 109.837 -7.322 23.750 1.00 2.08 C ATOM 584 CD1 TRP A 42 108.682 -7.078 24.411 1.00 2.66 C ATOM 585 CD2 TRP A 42 110.823 -7.669 24.764 1.00 2.36 C ATOM 586 NE1 TRP A 42 108.898 -7.251 25.766 1.00 2.89 N ATOM 587 CE2 TRP A 42 110.202 -7.616 26.035 1.00 2.64 C ATOM 588 CE3 TRP A 42 112.184 -8.020 24.706 1.00 3.00 C ATOM 589 CZ2 TRP A 42 110.906 -7.902 27.205 1.00 3.08 C ATOM 590 CZ3 TRP A 42 112.895 -8.309 25.882 1.00 3.68 C ATOM 591 CH2 TRP A 42 112.257 -8.250 27.129 1.00 3.56 C ATOM 0 H TRP A 42 110.766 -5.971 20.184 1.00 1.65 H new ATOM 0 HA TRP A 42 108.186 -6.284 21.647 1.00 1.71 H new ATOM 0 HB2 TRP A 42 109.664 -8.163 21.799 1.00 1.88 H new ATOM 0 HB3 TRP A 42 111.076 -7.149 22.024 1.00 1.88 H new ATOM 0 HD1 TRP A 42 107.745 -6.795 23.955 1.00 2.66 H new ATOM 0 HE1 TRP A 42 108.181 -7.124 26.480 1.00 2.89 H new ATOM 0 HE3 TRP A 42 112.685 -8.068 23.751 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 110.410 -7.855 28.163 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 113.939 -8.578 25.825 1.00 3.68 H new ATOM 0 HH2 TRP A 42 112.809 -8.473 28.030 1.00 3.56 H new ATOM 602 N THR A 43 108.499 -4.502 23.408 1.00 1.91 N ATOM 603 CA THR A 43 108.637 -3.306 24.285 1.00 2.07 C ATOM 604 C THR A 43 107.649 -3.411 25.452 1.00 1.92 C ATOM 605 O THR A 43 107.646 -4.378 26.188 1.00 2.17 O ATOM 606 CB THR A 43 108.344 -2.045 23.465 1.00 2.42 C ATOM 607 OG1 THR A 43 108.207 -0.934 24.337 1.00 2.72 O ATOM 608 CG2 THR A 43 107.052 -2.237 22.666 1.00 2.89 C ATOM 0 H THR A 43 107.635 -5.031 23.527 1.00 1.91 H new ATOM 0 HA THR A 43 109.651 -3.253 24.681 1.00 2.07 H new ATOM 0 HB THR A 43 109.168 -1.863 22.775 1.00 2.42 H new ATOM 0 HG1 THR A 43 108.006 -0.130 23.814 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.847 -1.338 22.084 1.00 2.89 H new ATOM 0 HG22 THR A 43 107.163 -3.087 21.993 1.00 2.89 H new ATOM 0 HG23 THR A 43 106.225 -2.422 23.351 1.00 2.89 H new ATOM 616 N ARG A 44 106.810 -2.424 25.623 1.00 1.96 N ATOM 617 CA ARG A 44 105.817 -2.462 26.735 1.00 1.92 C ATOM 618 C ARG A 44 106.532 -2.688 28.071 1.00 1.92 C ATOM 619 O ARG A 44 106.750 -3.808 28.489 1.00 2.18 O ATOM 620 CB ARG A 44 104.817 -3.595 26.483 1.00 2.09 C ATOM 621 CG ARG A 44 103.754 -3.603 27.591 1.00 2.62 C ATOM 622 CD ARG A 44 102.669 -4.652 27.281 1.00 3.00 C ATOM 623 NE ARG A 44 101.347 -4.178 27.801 1.00 3.63 N ATOM 624 CZ ARG A 44 101.214 -3.752 29.029 1.00 4.14 C ATOM 625 NH1 ARG A 44 102.185 -3.895 29.888 1.00 4.51 N ATOM 626 NH2 ARG A 44 100.081 -3.229 29.413 1.00 4.63 N ATOM 0 H ARG A 44 106.770 -1.590 25.037 1.00 1.96 H new ATOM 0 HA ARG A 44 105.287 -1.510 26.777 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.342 -3.464 25.511 1.00 2.09 H new ATOM 0 HB3 ARG A 44 105.337 -4.553 26.457 1.00 2.09 H new ATOM 0 HG2 ARG A 44 104.221 -3.825 28.551 1.00 2.62 H new ATOM 0 HG3 ARG A 44 103.301 -2.615 27.677 1.00 2.62 H new ATOM 0 HD2 ARG A 44 102.609 -4.820 26.206 1.00 3.00 H new ATOM 0 HD3 ARG A 44 102.930 -5.606 27.739 1.00 3.00 H new ATOM 0 HE ARG A 44 100.535 -4.188 27.184 1.00 3.63 H new ATOM 0 HH11 ARG A 44 103.056 -4.342 29.603 1.00 4.51 H new ATOM 0 HH12 ARG A 44 102.073 -3.560 30.845 1.00 4.51 H new ATOM 0 HH21 ARG A 44 99.305 -3.155 28.755 1.00 4.63 H new ATOM 0 HH22 ARG A 44 99.972 -2.895 30.371 1.00 4.63 H new ATOM 640 N GLU A 45 106.889 -1.629 28.749 1.00 1.87 N ATOM 641 CA GLU A 45 107.578 -1.776 30.063 1.00 1.94 C ATOM 642 C GLU A 45 107.678 -0.404 30.739 1.00 1.84 C ATOM 643 O GLU A 45 107.319 -0.244 31.889 1.00 1.87 O ATOM 644 CB GLU A 45 108.984 -2.359 29.852 1.00 2.09 C ATOM 645 CG GLU A 45 109.471 -3.020 31.146 1.00 2.37 C ATOM 646 CD GLU A 45 110.871 -3.598 30.929 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.249 -3.768 29.781 1.00 2.89 O ATOM 648 OE2 GLU A 45 111.541 -3.860 31.914 1.00 2.73 O ATOM 0 H GLU A 45 106.732 -0.667 28.448 1.00 1.87 H new ATOM 0 HA GLU A 45 107.007 -2.453 30.699 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.967 -3.090 29.043 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.674 -1.570 29.554 1.00 2.09 H new ATOM 0 HG2 GLU A 45 109.489 -2.290 31.955 1.00 2.37 H new ATOM 0 HG3 GLU A 45 108.782 -3.810 31.445 1.00 2.37 H new ATOM 655 N ALA A 46 108.156 0.589 30.037 1.00 1.74 N ATOM 656 CA ALA A 46 108.264 1.942 30.652 1.00 1.71 C ATOM 657 C ALA A 46 106.872 2.418 31.047 1.00 1.64 C ATOM 658 O ALA A 46 106.643 2.844 32.162 1.00 1.71 O ATOM 659 CB ALA A 46 108.872 2.928 29.651 1.00 1.66 C ATOM 0 H ALA A 46 108.474 0.522 29.070 1.00 1.74 H new ATOM 0 HA ALA A 46 108.906 1.889 31.531 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.946 3.914 30.111 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.866 2.586 29.362 1.00 1.66 H new ATOM 0 HB3 ALA A 46 108.237 2.987 28.767 1.00 1.66 H new ATOM 665 N GLY A 47 105.937 2.347 30.143 1.00 1.60 N ATOM 666 CA GLY A 47 104.556 2.792 30.467 1.00 1.58 C ATOM 667 C GLY A 47 103.834 3.196 29.181 1.00 1.42 C ATOM 668 O GLY A 47 104.381 3.110 28.099 1.00 1.37 O ATOM 0 H GLY A 47 106.070 2.000 29.193 1.00 1.60 H new ATOM 0 HA2 GLY A 47 104.012 1.990 30.965 1.00 1.58 H new ATOM 0 HA3 GLY A 47 104.587 3.634 31.159 1.00 1.58 H new ATOM 672 N ALA A 48 102.611 3.637 29.286 1.00 1.40 N ATOM 673 CA ALA A 48 101.861 4.045 28.065 1.00 1.27 C ATOM 674 C ALA A 48 102.686 5.070 27.285 1.00 1.21 C ATOM 675 O ALA A 48 103.539 5.739 27.834 1.00 1.37 O ATOM 676 CB ALA A 48 100.524 4.669 28.471 1.00 1.32 C ATOM 0 H ALA A 48 102.099 3.732 30.163 1.00 1.40 H new ATOM 0 HA ALA A 48 101.677 3.171 27.440 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.976 4.967 27.578 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.937 3.940 29.030 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.705 5.544 29.095 1.00 1.32 H new ATOM 682 N GLY A 49 102.442 5.200 26.010 1.00 1.04 N ATOM 683 CA GLY A 49 103.220 6.184 25.205 1.00 1.02 C ATOM 684 C GLY A 49 102.744 6.153 23.752 1.00 0.87 C ATOM 685 O GLY A 49 101.659 5.692 23.452 1.00 0.71 O ATOM 0 H GLY A 49 101.741 4.670 25.492 1.00 1.04 H new ATOM 0 HA2 GLY A 49 103.095 7.185 25.617 1.00 1.02 H new ATOM 0 HA3 GLY A 49 104.283 5.949 25.254 1.00 1.02 H new ATOM 689 N GLY A 50 103.548 6.643 22.844 1.00 0.98 N ATOM 690 CA GLY A 50 103.148 6.649 21.404 1.00 0.86 C ATOM 691 C GLY A 50 104.375 6.392 20.528 1.00 0.86 C ATOM 692 O GLY A 50 105.357 7.106 20.588 1.00 1.06 O ATOM 0 H GLY A 50 104.467 7.040 23.038 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.393 5.884 21.223 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.699 7.608 21.145 1.00 0.86 H new ATOM 696 N LEU A 51 104.321 5.378 19.705 1.00 0.74 N ATOM 697 CA LEU A 51 105.473 5.063 18.807 1.00 0.75 C ATOM 698 C LEU A 51 105.207 5.676 17.442 1.00 0.68 C ATOM 699 O LEU A 51 104.409 5.173 16.678 1.00 0.60 O ATOM 700 CB LEU A 51 105.598 3.541 18.671 1.00 0.74 C ATOM 701 CG LEU A 51 106.756 3.183 17.729 1.00 0.81 C ATOM 702 CD1 LEU A 51 108.097 3.623 18.341 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.762 1.667 17.501 1.00 0.77 C ATOM 0 H LEU A 51 103.523 4.750 19.615 1.00 0.74 H new ATOM 0 HA LEU A 51 106.397 5.468 19.220 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.766 3.094 19.651 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.666 3.126 18.287 1.00 0.74 H new ATOM 0 HG LEU A 51 106.622 3.700 16.779 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.909 3.363 17.662 1.00 1.10 H new ATOM 0 HD12 LEU A 51 108.088 4.701 18.500 1.00 1.10 H new ATOM 0 HD13 LEU A 51 108.245 3.117 19.295 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.582 1.403 16.833 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.893 1.156 18.455 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.816 1.363 17.053 1.00 0.77 H new ATOM 715 N SER A 52 105.875 6.757 17.124 1.00 0.75 N ATOM 716 CA SER A 52 105.670 7.403 15.809 1.00 0.71 C ATOM 717 C SER A 52 106.708 6.861 14.822 1.00 0.70 C ATOM 718 O SER A 52 107.827 6.578 15.200 1.00 0.78 O ATOM 719 CB SER A 52 105.835 8.918 15.950 1.00 0.82 C ATOM 720 OG SER A 52 106.224 9.467 14.698 1.00 1.56 O ATOM 0 H SER A 52 106.556 7.216 17.729 1.00 0.75 H new ATOM 0 HA SER A 52 104.666 7.187 15.443 1.00 0.71 H new ATOM 0 HB2 SER A 52 104.899 9.368 16.282 1.00 0.82 H new ATOM 0 HB3 SER A 52 106.585 9.145 16.708 1.00 0.82 H new ATOM 0 HG SER A 52 105.425 9.708 14.184 1.00 1.56 H new ATOM 726 N ILE A 53 106.349 6.701 13.563 1.00 0.61 N ATOM 727 CA ILE A 53 107.316 6.163 12.560 1.00 0.61 C ATOM 728 C ILE A 53 107.287 7.027 11.297 1.00 0.57 C ATOM 729 O ILE A 53 106.371 6.954 10.499 1.00 0.65 O ATOM 730 CB ILE A 53 106.919 4.730 12.196 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.918 3.860 13.458 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.922 4.166 11.190 1.00 0.63 C ATOM 733 CD1 ILE A 53 106.276 2.507 13.145 1.00 0.64 C ATOM 0 H ILE A 53 105.425 6.922 13.193 1.00 0.61 H new ATOM 0 HA ILE A 53 108.320 6.175 12.984 1.00 0.61 H new ATOM 0 HB ILE A 53 105.921 4.731 11.757 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.938 3.717 13.814 1.00 0.64 H new ATOM 0 HG13 ILE A 53 106.369 4.359 14.256 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.641 3.146 10.929 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.922 4.783 10.291 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.919 4.167 11.631 1.00 0.63 H new ATOM 0 HD11 ILE A 53 106.275 1.888 14.042 1.00 0.64 H new ATOM 0 HD12 ILE A 53 105.250 2.660 12.809 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.844 2.007 12.360 1.00 0.64 H new ATOM 745 N ALA A 54 108.299 7.830 11.099 1.00 0.60 N ATOM 746 CA ALA A 54 108.363 8.687 9.882 1.00 0.57 C ATOM 747 C ALA A 54 109.208 7.956 8.843 1.00 0.54 C ATOM 748 O ALA A 54 110.410 7.822 8.987 1.00 0.63 O ATOM 749 CB ALA A 54 109.011 10.031 10.230 1.00 0.69 C ATOM 0 H ALA A 54 109.090 7.929 11.735 1.00 0.60 H new ATOM 0 HA ALA A 54 107.363 8.877 9.493 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.056 10.655 9.337 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.419 10.533 10.995 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.020 9.862 10.606 1.00 0.69 H new ATOM 755 N VAL A 55 108.580 7.449 7.815 1.00 0.45 N ATOM 756 CA VAL A 55 109.318 6.685 6.763 1.00 0.47 C ATOM 757 C VAL A 55 109.469 7.526 5.487 1.00 0.41 C ATOM 758 O VAL A 55 108.600 8.299 5.121 1.00 0.39 O ATOM 759 CB VAL A 55 108.531 5.393 6.436 1.00 0.47 C ATOM 760 CG1 VAL A 55 109.006 4.244 7.332 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.034 5.629 6.672 1.00 0.79 C ATOM 0 H VAL A 55 107.576 7.532 7.657 1.00 0.45 H new ATOM 0 HA VAL A 55 110.312 6.439 7.135 1.00 0.47 H new ATOM 0 HB VAL A 55 108.704 5.131 5.392 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.445 3.340 7.093 1.00 0.91 H new ATOM 0 HG12 VAL A 55 110.068 4.067 7.164 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.843 4.506 8.377 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.481 4.718 6.441 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.868 5.900 7.715 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.687 6.437 6.028 1.00 0.79 H new ATOM 771 N GLU A 56 110.565 7.344 4.789 1.00 0.44 N ATOM 772 CA GLU A 56 110.789 8.078 3.509 1.00 0.40 C ATOM 773 C GLU A 56 111.411 7.090 2.523 1.00 0.43 C ATOM 774 O GLU A 56 112.374 6.415 2.824 1.00 0.52 O ATOM 775 CB GLU A 56 111.716 9.290 3.735 1.00 0.47 C ATOM 776 CG GLU A 56 112.048 9.981 2.393 1.00 0.49 C ATOM 777 CD GLU A 56 110.850 10.813 1.927 1.00 1.08 C ATOM 778 OE1 GLU A 56 110.004 11.119 2.751 1.00 1.71 O ATOM 779 OE2 GLU A 56 110.800 11.133 0.751 1.00 1.80 O ATOM 0 H GLU A 56 111.319 6.712 5.057 1.00 0.44 H new ATOM 0 HA GLU A 56 109.849 8.464 3.116 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.236 10.001 4.407 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.636 8.965 4.220 1.00 0.47 H new ATOM 0 HG2 GLU A 56 112.923 10.620 2.510 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.298 9.233 1.640 1.00 0.49 H new ATOM 786 N GLY A 57 110.860 6.995 1.349 1.00 0.41 N ATOM 787 CA GLY A 57 111.406 6.050 0.339 1.00 0.49 C ATOM 788 C GLY A 57 110.626 6.234 -0.966 1.00 0.45 C ATOM 789 O GLY A 57 109.573 6.829 -0.955 1.00 0.44 O ATOM 0 H GLY A 57 110.050 7.534 1.043 1.00 0.41 H new ATOM 0 HA2 GLY A 57 112.467 6.240 0.177 1.00 0.49 H new ATOM 0 HA3 GLY A 57 111.316 5.023 0.693 1.00 0.49 H new ATOM 793 N PRO A 58 111.166 5.737 -2.059 1.00 0.50 N ATOM 794 CA PRO A 58 110.519 5.871 -3.380 1.00 0.52 C ATOM 795 C PRO A 58 109.031 5.529 -3.318 1.00 0.54 C ATOM 796 O PRO A 58 108.255 5.952 -4.152 1.00 0.56 O ATOM 797 CB PRO A 58 111.279 4.881 -4.283 1.00 0.63 C ATOM 798 CG PRO A 58 112.560 4.442 -3.515 1.00 0.66 C ATOM 799 CD PRO A 58 112.447 4.998 -2.077 1.00 0.60 C ATOM 0 HA PRO A 58 110.564 6.894 -3.753 1.00 0.52 H new ATOM 0 HB2 PRO A 58 110.656 4.017 -4.516 1.00 0.63 H new ATOM 0 HB3 PRO A 58 111.541 5.350 -5.231 1.00 0.63 H new ATOM 0 HG2 PRO A 58 112.646 3.356 -3.501 1.00 0.66 H new ATOM 0 HG3 PRO A 58 113.454 4.827 -4.007 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.451 4.194 -1.340 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.285 5.653 -1.839 1.00 0.60 H new ATOM 807 N SER A 59 108.634 4.760 -2.352 1.00 0.56 N ATOM 808 CA SER A 59 107.187 4.375 -2.247 1.00 0.60 C ATOM 809 C SER A 59 106.741 4.346 -0.786 1.00 0.55 C ATOM 810 O SER A 59 107.542 4.391 0.126 1.00 0.55 O ATOM 811 CB SER A 59 106.989 2.991 -2.860 1.00 0.71 C ATOM 812 OG SER A 59 105.646 2.575 -2.653 1.00 1.55 O ATOM 0 H SER A 59 109.240 4.376 -1.626 1.00 0.56 H new ATOM 0 HA SER A 59 106.589 5.113 -2.782 1.00 0.60 H new ATOM 0 HB2 SER A 59 107.214 3.017 -3.926 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.677 2.278 -2.406 1.00 0.71 H new ATOM 0 HG SER A 59 105.295 2.181 -3.479 1.00 1.55 H new ATOM 818 N LYS A 60 105.452 4.274 -0.566 1.00 0.59 N ATOM 819 CA LYS A 60 104.917 4.243 0.826 1.00 0.57 C ATOM 820 C LYS A 60 104.781 2.793 1.289 1.00 0.63 C ATOM 821 O LYS A 60 103.768 2.156 1.078 1.00 0.73 O ATOM 822 CB LYS A 60 103.542 4.918 0.854 1.00 0.63 C ATOM 823 CG LYS A 60 103.148 5.222 2.302 1.00 1.23 C ATOM 824 CD LYS A 60 101.651 5.533 2.373 1.00 1.29 C ATOM 825 CE LYS A 60 101.319 6.143 3.736 1.00 1.87 C ATOM 826 NZ LYS A 60 102.064 5.413 4.801 1.00 2.53 N ATOM 0 H LYS A 60 104.743 4.235 -1.299 1.00 0.59 H new ATOM 0 HA LYS A 60 105.599 4.773 1.491 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.566 5.839 0.272 1.00 0.63 H new ATOM 0 HB3 LYS A 60 102.798 4.269 0.393 1.00 0.63 H new ATOM 0 HG2 LYS A 60 103.383 4.370 2.940 1.00 1.23 H new ATOM 0 HG3 LYS A 60 103.724 6.069 2.676 1.00 1.23 H new ATOM 0 HD2 LYS A 60 101.374 6.224 1.577 1.00 1.29 H new ATOM 0 HD3 LYS A 60 101.072 4.622 2.220 1.00 1.29 H new ATOM 0 HE2 LYS A 60 101.587 7.199 3.749 1.00 1.87 H new ATOM 0 HE3 LYS A 60 100.247 6.084 3.922 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.606 5.578 5.720 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 102.061 4.394 4.591 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 103.045 5.756 4.836 1.00 2.53 H new ATOM 840 N ALA A 61 105.791 2.269 1.922 1.00 0.66 N ATOM 841 CA ALA A 61 105.717 0.861 2.400 1.00 0.76 C ATOM 842 C ALA A 61 104.438 0.671 3.218 1.00 0.77 C ATOM 843 O ALA A 61 103.999 1.563 3.916 1.00 0.78 O ATOM 844 CB ALA A 61 106.932 0.554 3.275 1.00 0.82 C ATOM 0 H ALA A 61 106.664 2.754 2.129 1.00 0.66 H new ATOM 0 HA ALA A 61 105.708 0.186 1.545 1.00 0.76 H new ATOM 0 HB1 ALA A 61 106.877 -0.477 3.625 1.00 0.82 H new ATOM 0 HB2 ALA A 61 107.843 0.692 2.693 1.00 0.82 H new ATOM 0 HB3 ALA A 61 106.943 1.228 4.132 1.00 0.82 H new ATOM 850 N GLU A 62 103.833 -0.487 3.136 1.00 0.88 N ATOM 851 CA GLU A 62 102.576 -0.736 3.908 1.00 0.93 C ATOM 852 C GLU A 62 102.919 -1.395 5.248 1.00 0.96 C ATOM 853 O GLU A 62 102.930 -2.604 5.368 1.00 1.43 O ATOM 854 CB GLU A 62 101.647 -1.656 3.094 1.00 1.11 C ATOM 855 CG GLU A 62 100.193 -1.447 3.531 1.00 1.50 C ATOM 856 CD GLU A 62 100.057 -1.754 5.023 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.789 -2.899 5.350 1.00 2.30 O ATOM 858 OE2 GLU A 62 100.223 -0.840 5.814 1.00 2.14 O ATOM 0 H GLU A 62 104.154 -1.271 2.568 1.00 0.88 H new ATOM 0 HA GLU A 62 102.069 0.211 4.095 1.00 0.93 H new ATOM 0 HB2 GLU A 62 101.750 -1.443 2.030 1.00 1.11 H new ATOM 0 HB3 GLU A 62 101.934 -2.698 3.239 1.00 1.11 H new ATOM 0 HG2 GLU A 62 99.887 -0.420 3.331 1.00 1.50 H new ATOM 0 HG3 GLU A 62 99.533 -2.095 2.954 1.00 1.50 H new ATOM 865 N ILE A 63 103.193 -0.597 6.248 1.00 0.97 N ATOM 866 CA ILE A 63 103.531 -1.137 7.600 1.00 0.94 C ATOM 867 C ILE A 63 102.352 -1.965 8.123 1.00 1.01 C ATOM 868 O ILE A 63 101.213 -1.700 7.793 1.00 1.06 O ATOM 869 CB ILE A 63 103.796 0.047 8.537 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.860 0.953 7.907 1.00 1.06 C ATOM 871 CG2 ILE A 63 104.294 -0.458 9.891 1.00 1.28 C ATOM 872 CD1 ILE A 63 105.244 2.067 8.884 1.00 1.40 C ATOM 0 H ILE A 63 103.197 0.421 6.184 1.00 0.97 H new ATOM 0 HA ILE A 63 104.414 -1.774 7.549 1.00 0.94 H new ATOM 0 HB ILE A 63 102.872 0.605 8.686 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.741 0.366 7.647 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.480 1.385 6.981 1.00 1.06 H new ATOM 0 HG21 ILE A 63 104.480 0.390 10.550 1.00 1.28 H new ATOM 0 HG22 ILE A 63 103.540 -1.106 10.337 1.00 1.28 H new ATOM 0 HG23 ILE A 63 105.218 -1.019 9.753 1.00 1.28 H new ATOM 0 HD11 ILE A 63 106.000 2.706 8.428 1.00 1.40 H new ATOM 0 HD12 ILE A 63 104.362 2.662 9.122 1.00 1.40 H new ATOM 0 HD13 ILE A 63 105.643 1.628 9.798 1.00 1.40 H new ATOM 884 N ALA A 64 102.600 -2.970 8.935 1.00 1.04 N ATOM 885 CA ALA A 64 101.466 -3.792 9.455 1.00 1.13 C ATOM 886 C ALA A 64 101.824 -4.366 10.828 1.00 1.14 C ATOM 887 O ALA A 64 102.719 -5.179 10.956 1.00 1.36 O ATOM 888 CB ALA A 64 101.176 -4.936 8.480 1.00 1.26 C ATOM 0 H ALA A 64 103.527 -3.251 9.254 1.00 1.04 H new ATOM 0 HA ALA A 64 100.582 -3.162 9.552 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.349 -5.536 8.859 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.910 -4.525 7.506 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.062 -5.562 8.380 1.00 1.26 H new ATOM 894 N PHE A 65 101.127 -3.960 11.854 1.00 1.16 N ATOM 895 CA PHE A 65 101.421 -4.491 13.218 1.00 1.16 C ATOM 896 C PHE A 65 100.637 -5.788 13.433 1.00 1.28 C ATOM 897 O PHE A 65 99.430 -5.821 13.302 1.00 1.35 O ATOM 898 CB PHE A 65 100.995 -3.462 14.266 1.00 1.11 C ATOM 899 CG PHE A 65 99.544 -3.104 14.054 1.00 1.20 C ATOM 900 CD1 PHE A 65 99.198 -2.093 13.151 1.00 1.23 C ATOM 901 CD2 PHE A 65 98.544 -3.784 14.760 1.00 1.30 C ATOM 902 CE1 PHE A 65 97.852 -1.761 12.952 1.00 1.37 C ATOM 903 CE2 PHE A 65 97.198 -3.453 14.562 1.00 1.43 C ATOM 904 CZ PHE A 65 96.852 -2.441 13.658 1.00 1.47 C ATOM 0 H PHE A 65 100.366 -3.283 11.808 1.00 1.16 H new ATOM 0 HA PHE A 65 102.489 -4.687 13.313 1.00 1.16 H new ATOM 0 HB2 PHE A 65 101.139 -3.866 15.268 1.00 1.11 H new ATOM 0 HB3 PHE A 65 101.616 -2.570 14.190 1.00 1.11 H new ATOM 0 HD1 PHE A 65 99.969 -1.568 12.607 1.00 1.23 H new ATOM 0 HD2 PHE A 65 98.811 -4.564 15.458 1.00 1.30 H new ATOM 0 HE1 PHE A 65 97.585 -0.981 12.254 1.00 1.37 H new ATOM 0 HE2 PHE A 65 96.427 -3.978 15.106 1.00 1.43 H new ATOM 0 HZ PHE A 65 95.814 -2.185 13.505 1.00 1.47 H new ATOM 914 N GLU A 66 101.314 -6.859 13.762 1.00 1.35 N ATOM 915 CA GLU A 66 100.610 -8.161 13.988 1.00 1.50 C ATOM 916 C GLU A 66 101.256 -8.891 15.168 1.00 1.54 C ATOM 917 O GLU A 66 102.448 -9.126 15.189 1.00 1.61 O ATOM 918 CB GLU A 66 100.722 -9.029 12.733 1.00 1.62 C ATOM 919 CG GLU A 66 99.962 -10.338 12.951 1.00 1.80 C ATOM 920 CD GLU A 66 99.864 -11.098 11.627 1.00 1.94 C ATOM 921 OE1 GLU A 66 100.716 -10.885 10.780 1.00 2.51 O ATOM 922 OE2 GLU A 66 98.939 -11.880 11.482 1.00 2.01 O ATOM 0 H GLU A 66 102.326 -6.889 13.884 1.00 1.35 H new ATOM 0 HA GLU A 66 99.559 -7.971 14.206 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.314 -8.498 11.873 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.769 -9.236 12.513 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.473 -10.948 13.696 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.964 -10.131 13.339 1.00 1.80 H new ATOM 1006 N SER A 72 106.261 -10.273 21.538 1.00 1.78 N ATOM 1007 CA SER A 72 107.025 -9.324 20.676 1.00 1.72 C ATOM 1008 C SER A 72 106.105 -8.807 19.568 1.00 1.60 C ATOM 1009 O SER A 72 105.436 -9.570 18.900 1.00 1.64 O ATOM 1010 CB SER A 72 108.210 -10.060 20.049 1.00 1.82 C ATOM 1011 OG SER A 72 108.653 -9.346 18.903 1.00 2.20 O ATOM 0 HA SER A 72 107.388 -8.488 21.273 1.00 1.72 H new ATOM 0 HB2 SER A 72 109.021 -10.150 20.772 1.00 1.82 H new ATOM 0 HB3 SER A 72 107.918 -11.073 19.770 1.00 1.82 H new ATOM 0 HG SER A 72 108.688 -9.952 18.133 1.00 2.20 H new ATOM 1017 N CYS A 73 106.062 -7.518 19.368 1.00 1.50 N ATOM 1018 CA CYS A 73 105.177 -6.965 18.301 1.00 1.40 C ATOM 1019 C CYS A 73 105.844 -7.159 16.938 1.00 1.37 C ATOM 1020 O CYS A 73 106.994 -6.816 16.746 1.00 1.39 O ATOM 1021 CB CYS A 73 104.939 -5.474 18.549 1.00 1.31 C ATOM 1022 SG CYS A 73 104.457 -5.218 20.275 1.00 2.05 S ATOM 0 H CYS A 73 106.597 -6.827 19.893 1.00 1.50 H new ATOM 0 HA CYS A 73 104.221 -7.487 18.316 1.00 1.40 H new ATOM 0 HB2 CYS A 73 105.844 -4.908 18.325 1.00 1.31 H new ATOM 0 HB3 CYS A 73 104.159 -5.104 17.884 1.00 1.31 H new ATOM 0 HG CYS A 73 104.257 -3.951 20.486 1.00 2.05 H new ATOM 1028 N GLY A 74 105.131 -7.714 15.989 1.00 1.39 N ATOM 1029 CA GLY A 74 105.718 -7.944 14.631 1.00 1.38 C ATOM 1030 C GLY A 74 105.238 -6.864 13.661 1.00 1.28 C ATOM 1031 O GLY A 74 104.064 -6.755 13.368 1.00 1.26 O ATOM 0 H GLY A 74 104.164 -8.019 16.096 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.806 -7.933 14.690 1.00 1.38 H new ATOM 0 HA3 GLY A 74 105.429 -8.929 14.263 1.00 1.38 H new ATOM 1035 N VAL A 75 106.146 -6.070 13.155 1.00 1.25 N ATOM 1036 CA VAL A 75 105.765 -4.988 12.187 1.00 1.16 C ATOM 1037 C VAL A 75 106.185 -5.401 10.778 1.00 1.20 C ATOM 1038 O VAL A 75 107.351 -5.396 10.438 1.00 1.25 O ATOM 1039 CB VAL A 75 106.480 -3.690 12.572 1.00 1.11 C ATOM 1040 CG1 VAL A 75 106.217 -2.631 11.502 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.950 -3.193 13.924 1.00 1.57 C ATOM 0 H VAL A 75 107.142 -6.122 13.370 1.00 1.25 H new ATOM 0 HA VAL A 75 104.687 -4.833 12.215 1.00 1.16 H new ATOM 0 HB VAL A 75 107.552 -3.874 12.649 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.725 -1.706 11.773 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.593 -2.983 10.541 1.00 1.31 H new ATOM 0 HG13 VAL A 75 105.145 -2.448 11.427 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.460 -2.269 14.197 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.878 -3.008 13.849 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.135 -3.949 14.687 1.00 1.57 H new ATOM 1051 N SER A 76 105.234 -5.758 9.955 1.00 1.22 N ATOM 1052 CA SER A 76 105.553 -6.174 8.558 1.00 1.29 C ATOM 1053 C SER A 76 105.284 -5.010 7.606 1.00 1.19 C ATOM 1054 O SER A 76 104.207 -4.449 7.586 1.00 1.20 O ATOM 1055 CB SER A 76 104.675 -7.366 8.172 1.00 1.40 C ATOM 1056 OG SER A 76 104.611 -7.463 6.755 1.00 1.85 O ATOM 0 H SER A 76 104.242 -5.779 10.193 1.00 1.22 H new ATOM 0 HA SER A 76 106.603 -6.459 8.492 1.00 1.29 H new ATOM 0 HB2 SER A 76 105.084 -8.285 8.593 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.674 -7.244 8.585 1.00 1.40 H new ATOM 0 HG SER A 76 104.050 -8.227 6.504 1.00 1.85 H new ATOM 1062 N TYR A 77 106.263 -4.649 6.812 1.00 1.21 N ATOM 1063 CA TYR A 77 106.092 -3.523 5.841 1.00 1.12 C ATOM 1064 C TYR A 77 106.441 -4.024 4.442 1.00 1.20 C ATOM 1065 O TYR A 77 107.459 -4.657 4.239 1.00 1.43 O ATOM 1066 CB TYR A 77 107.015 -2.363 6.229 1.00 1.07 C ATOM 1067 CG TYR A 77 108.459 -2.791 6.106 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.997 -3.709 7.015 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.262 -2.268 5.084 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.333 -4.104 6.902 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.599 -2.664 4.971 1.00 1.28 C ATOM 1072 CZ TYR A 77 111.135 -3.583 5.880 1.00 1.39 C ATOM 1073 OH TYR A 77 112.454 -3.974 5.769 1.00 1.54 O ATOM 0 H TYR A 77 107.182 -5.091 6.795 1.00 1.21 H new ATOM 0 HA TYR A 77 105.061 -3.170 5.857 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.825 -1.505 5.585 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.806 -2.047 7.251 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.380 -4.112 7.804 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.848 -1.558 4.383 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.747 -4.812 7.604 1.00 1.47 H new ATOM 0 HE2 TYR A 77 111.217 -2.261 4.183 1.00 1.28 H new ATOM 0 HH TYR A 77 112.797 -4.222 6.653 1.00 1.54 H new ATOM 1083 N VAL A 78 105.601 -3.756 3.472 1.00 1.13 N ATOM 1084 CA VAL A 78 105.882 -4.230 2.080 1.00 1.21 C ATOM 1085 C VAL A 78 106.489 -3.088 1.273 1.00 1.14 C ATOM 1086 O VAL A 78 105.855 -2.085 1.019 1.00 1.11 O ATOM 1087 CB VAL A 78 104.579 -4.710 1.419 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.665 -3.515 1.093 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.917 -5.467 0.130 1.00 1.90 C ATOM 0 H VAL A 78 104.734 -3.230 3.583 1.00 1.13 H new ATOM 0 HA VAL A 78 106.585 -5.062 2.112 1.00 1.21 H new ATOM 0 HB VAL A 78 104.053 -5.369 2.110 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.748 -3.875 0.626 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.419 -2.983 2.012 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.179 -2.839 0.410 1.00 1.81 H new ATOM 0 HG21 VAL A 78 103.997 -5.810 -0.343 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.450 -4.805 -0.552 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.545 -6.326 0.367 1.00 1.90 H new ATOM 1099 N VAL A 79 107.720 -3.224 0.871 1.00 1.17 N ATOM 1100 CA VAL A 79 108.361 -2.138 0.087 1.00 1.11 C ATOM 1101 C VAL A 79 107.940 -2.265 -1.377 1.00 1.15 C ATOM 1102 O VAL A 79 107.463 -3.296 -1.798 1.00 1.24 O ATOM 1103 CB VAL A 79 109.880 -2.250 0.208 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.296 -1.871 1.633 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.308 -3.692 -0.081 1.00 1.27 C ATOM 0 H VAL A 79 108.308 -4.038 1.051 1.00 1.17 H new ATOM 0 HA VAL A 79 108.047 -1.167 0.470 1.00 1.11 H new ATOM 0 HB VAL A 79 110.358 -1.580 -0.507 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.379 -1.948 1.729 1.00 1.13 H new ATOM 0 HG12 VAL A 79 109.985 -0.848 1.843 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.820 -2.547 2.343 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.392 -3.774 0.005 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.835 -4.363 0.637 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.002 -3.967 -1.090 1.00 1.27 H new ATOM 1115 N GLN A 80 108.093 -1.221 -2.153 1.00 1.10 N ATOM 1116 CA GLN A 80 107.674 -1.276 -3.592 1.00 1.15 C ATOM 1117 C GLN A 80 108.893 -1.480 -4.508 1.00 1.17 C ATOM 1118 O GLN A 80 108.878 -2.324 -5.381 1.00 1.25 O ATOM 1119 CB GLN A 80 106.961 0.042 -3.946 1.00 1.11 C ATOM 1120 CG GLN A 80 105.931 -0.179 -5.066 1.00 1.18 C ATOM 1121 CD GLN A 80 106.549 -0.999 -6.203 1.00 1.80 C ATOM 1122 OE1 GLN A 80 106.580 -2.301 -6.110 1.00 2.47 O flip ATOM 1123 NE2 GLN A 80 107.001 -0.451 -7.188 1.00 2.48 N flip ATOM 0 H GLN A 80 108.490 -0.331 -1.854 1.00 1.10 H new ATOM 0 HA GLN A 80 106.999 -2.119 -3.741 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.464 0.441 -3.062 1.00 1.11 H new ATOM 0 HB3 GLN A 80 107.694 0.784 -4.261 1.00 1.11 H new ATOM 0 HG2 GLN A 80 105.057 -0.696 -4.669 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.587 0.782 -5.447 1.00 1.18 H new ATOM 0 HE21 GLN A 80 106.977 0.566 -7.262 1.00 2.48 H new ATOM 0 HE22 GLN A 80 107.404 -1.008 -7.942 1.00 2.48 H new ATOM 1132 N GLU A 81 109.948 -0.717 -4.335 1.00 1.11 N ATOM 1133 CA GLU A 81 111.143 -0.899 -5.232 1.00 1.13 C ATOM 1134 C GLU A 81 112.435 -0.375 -4.554 1.00 1.07 C ATOM 1135 O GLU A 81 112.375 0.512 -3.726 1.00 0.98 O ATOM 1136 CB GLU A 81 110.915 -0.159 -6.572 1.00 1.11 C ATOM 1137 CG GLU A 81 109.878 0.937 -6.377 1.00 1.43 C ATOM 1138 CD GLU A 81 109.812 1.813 -7.630 1.00 1.37 C ATOM 1139 OE1 GLU A 81 110.487 1.486 -8.592 1.00 1.65 O ATOM 1140 OE2 GLU A 81 109.088 2.794 -7.605 1.00 1.92 O ATOM 0 H GLU A 81 110.037 0.011 -3.627 1.00 1.11 H new ATOM 0 HA GLU A 81 111.266 -1.965 -5.422 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.852 0.271 -6.926 1.00 1.11 H new ATOM 0 HB3 GLU A 81 110.578 -0.861 -7.335 1.00 1.11 H new ATOM 0 HG2 GLU A 81 108.901 0.496 -6.178 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.136 1.545 -5.510 1.00 1.43 H new ATOM 1147 N PRO A 82 113.576 -0.940 -4.942 1.00 1.14 N ATOM 1148 CA PRO A 82 114.895 -0.550 -4.412 1.00 1.14 C ATOM 1149 C PRO A 82 115.036 0.935 -4.151 1.00 1.00 C ATOM 1150 O PRO A 82 114.338 1.765 -4.699 1.00 0.91 O ATOM 1151 CB PRO A 82 115.877 -1.025 -5.485 1.00 1.23 C ATOM 1152 CG PRO A 82 115.182 -2.219 -6.158 1.00 1.30 C ATOM 1153 CD PRO A 82 113.667 -2.030 -5.938 1.00 1.26 C ATOM 0 HA PRO A 82 115.071 -0.997 -3.433 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.088 -0.234 -6.205 1.00 1.23 H new ATOM 0 HB3 PRO A 82 116.830 -1.319 -5.046 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.417 -2.255 -7.222 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.522 -3.160 -5.725 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.160 -1.764 -6.866 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.201 -2.944 -5.571 1.00 1.26 H new ATOM 1161 N GLY A 83 115.965 1.255 -3.299 1.00 0.99 N ATOM 1162 CA GLY A 83 116.218 2.684 -2.951 1.00 0.89 C ATOM 1163 C GLY A 83 116.755 2.770 -1.525 1.00 0.92 C ATOM 1164 O GLY A 83 117.125 1.777 -0.930 1.00 1.02 O ATOM 0 H GLY A 83 116.567 0.584 -2.822 1.00 0.99 H new ATOM 0 HA2 GLY A 83 116.935 3.118 -3.648 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.297 3.260 -3.040 1.00 0.89 H new ATOM 1168 N ASP A 84 116.794 3.955 -0.970 1.00 0.87 N ATOM 1169 CA ASP A 84 117.297 4.134 0.426 1.00 0.93 C ATOM 1170 C ASP A 84 116.118 4.480 1.332 1.00 0.83 C ATOM 1171 O ASP A 84 115.768 5.631 1.500 1.00 0.76 O ATOM 1172 CB ASP A 84 118.317 5.275 0.458 1.00 0.98 C ATOM 1173 CG ASP A 84 119.298 5.117 -0.705 1.00 1.39 C ATOM 1174 OD1 ASP A 84 119.605 3.986 -1.045 1.00 2.06 O ATOM 1175 OD2 ASP A 84 119.725 6.128 -1.236 1.00 2.13 O ATOM 0 H ASP A 84 116.496 4.815 -1.430 1.00 0.87 H new ATOM 0 HA ASP A 84 117.774 3.216 0.770 1.00 0.93 H new ATOM 0 HB2 ASP A 84 117.806 6.235 0.389 1.00 0.98 H new ATOM 0 HB3 ASP A 84 118.856 5.268 1.405 1.00 0.98 H new ATOM 1180 N TYR A 85 115.503 3.493 1.919 1.00 0.84 N ATOM 1181 CA TYR A 85 114.350 3.764 2.815 1.00 0.76 C ATOM 1182 C TYR A 85 114.898 4.248 4.160 1.00 0.80 C ATOM 1183 O TYR A 85 115.855 3.712 4.681 1.00 0.92 O ATOM 1184 CB TYR A 85 113.529 2.468 2.988 1.00 0.80 C ATOM 1185 CG TYR A 85 112.324 2.473 2.073 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.108 3.004 2.518 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.425 1.939 0.784 1.00 0.78 C ATOM 1188 CE1 TYR A 85 109.993 3.004 1.672 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.311 1.937 -0.063 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.094 2.470 0.381 1.00 0.67 C ATOM 1191 OH TYR A 85 108.994 2.468 -0.452 1.00 0.68 O ATOM 0 H TYR A 85 115.751 2.509 1.816 1.00 0.84 H new ATOM 0 HA TYR A 85 113.697 4.529 2.395 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.155 1.603 2.769 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.205 2.372 4.024 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.030 3.414 3.514 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.363 1.528 0.442 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.055 3.416 2.014 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.389 1.525 -1.058 1.00 0.75 H new ATOM 0 HH TYR A 85 108.212 2.798 0.038 1.00 0.68 H new ATOM 1201 N GLU A 86 114.301 5.270 4.709 1.00 0.73 N ATOM 1202 CA GLU A 86 114.769 5.840 6.016 1.00 0.78 C ATOM 1203 C GLU A 86 113.626 5.719 7.024 1.00 0.74 C ATOM 1204 O GLU A 86 112.572 6.286 6.837 1.00 0.68 O ATOM 1205 CB GLU A 86 115.168 7.335 5.830 1.00 0.78 C ATOM 1206 CG GLU A 86 115.130 7.726 4.343 1.00 0.72 C ATOM 1207 CD GLU A 86 116.307 7.073 3.616 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.816 6.086 4.121 1.00 1.53 O ATOM 1209 OE2 GLU A 86 116.679 7.571 2.567 1.00 1.26 O ATOM 0 H GLU A 86 113.495 5.746 4.304 1.00 0.73 H new ATOM 0 HA GLU A 86 115.642 5.296 6.376 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.488 7.971 6.396 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.168 7.502 6.230 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.189 7.406 3.895 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.180 8.810 4.239 1.00 0.72 H new ATOM 1216 N VAL A 87 113.824 4.970 8.077 1.00 0.81 N ATOM 1217 CA VAL A 87 112.746 4.779 9.098 1.00 0.78 C ATOM 1218 C VAL A 87 113.187 5.341 10.451 1.00 0.86 C ATOM 1219 O VAL A 87 114.288 5.099 10.903 1.00 0.99 O ATOM 1220 CB VAL A 87 112.490 3.282 9.228 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.742 2.595 9.773 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.316 3.033 10.178 1.00 0.83 C ATOM 0 H VAL A 87 114.694 4.477 8.277 1.00 0.81 H new ATOM 0 HA VAL A 87 111.842 5.303 8.789 1.00 0.78 H new ATOM 0 HB VAL A 87 112.248 2.875 8.246 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.558 1.525 9.866 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.575 2.762 9.090 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.986 3.007 10.752 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.140 1.961 10.265 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.549 3.444 11.160 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.422 3.517 9.786 1.00 0.83 H new ATOM 1232 N SER A 88 112.324 6.090 11.102 1.00 0.81 N ATOM 1233 CA SER A 88 112.671 6.677 12.439 1.00 0.91 C ATOM 1234 C SER A 88 111.565 6.347 13.443 1.00 0.87 C ATOM 1235 O SER A 88 110.491 6.914 13.408 1.00 0.84 O ATOM 1236 CB SER A 88 112.816 8.195 12.306 1.00 0.94 C ATOM 1237 OG SER A 88 111.795 8.689 11.450 1.00 1.59 O ATOM 0 H SER A 88 111.390 6.321 10.763 1.00 0.81 H new ATOM 0 HA SER A 88 113.612 6.255 12.791 1.00 0.91 H new ATOM 0 HB2 SER A 88 112.745 8.666 13.286 1.00 0.94 H new ATOM 0 HB3 SER A 88 113.797 8.445 11.903 1.00 0.94 H new ATOM 0 HG SER A 88 112.117 9.488 10.984 1.00 1.59 H new ATOM 1243 N ILE A 89 111.829 5.426 14.337 1.00 0.99 N ATOM 1244 CA ILE A 89 110.812 5.026 15.360 1.00 0.98 C ATOM 1245 C ILE A 89 111.223 5.557 16.737 1.00 1.08 C ATOM 1246 O ILE A 89 112.377 5.509 17.116 1.00 1.20 O ATOM 1247 CB ILE A 89 110.711 3.490 15.375 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.827 2.879 16.247 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.843 2.971 13.938 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.912 1.367 16.010 1.00 1.29 C ATOM 0 H ILE A 89 112.717 4.928 14.402 1.00 0.99 H new ATOM 0 HA ILE A 89 109.839 5.450 15.112 1.00 0.98 H new ATOM 0 HB ILE A 89 109.748 3.200 15.795 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.782 3.347 16.009 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.628 3.079 17.300 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.773 1.883 13.936 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.043 3.387 13.326 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.807 3.273 13.529 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.703 0.945 16.630 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.960 0.904 16.271 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.133 1.175 14.960 1.00 1.29 H new ATOM 1262 N LYS A 90 110.283 6.062 17.486 1.00 1.05 N ATOM 1263 CA LYS A 90 110.588 6.599 18.836 1.00 1.16 C ATOM 1264 C LYS A 90 109.410 6.308 19.753 1.00 1.11 C ATOM 1265 O LYS A 90 108.302 6.734 19.492 1.00 1.01 O ATOM 1266 CB LYS A 90 110.741 8.113 18.747 1.00 1.22 C ATOM 1267 CG LYS A 90 109.426 8.732 18.205 1.00 1.15 C ATOM 1268 CD LYS A 90 109.724 9.980 17.347 1.00 1.34 C ATOM 1269 CE LYS A 90 109.913 9.565 15.883 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.109 8.684 15.763 1.00 1.58 N ATOM 0 H LYS A 90 109.302 6.125 17.213 1.00 1.05 H new ATOM 0 HA LYS A 90 111.502 6.142 19.215 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.972 8.525 19.729 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.573 8.368 18.091 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.890 7.994 17.609 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.776 9.003 19.037 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.905 10.695 17.430 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.621 10.479 17.713 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.026 9.042 15.526 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.036 10.449 15.257 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.428 8.664 14.773 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.873 9.052 16.365 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 110.862 7.720 16.067 1.00 1.58 H new ATOM 1284 N PHE A 91 109.625 5.623 20.837 1.00 1.21 N ATOM 1285 CA PHE A 91 108.483 5.362 21.759 1.00 1.18 C ATOM 1286 C PHE A 91 108.269 6.613 22.606 1.00 1.22 C ATOM 1287 O PHE A 91 108.989 6.871 23.545 1.00 1.34 O ATOM 1288 CB PHE A 91 108.781 4.158 22.656 1.00 1.29 C ATOM 1289 CG PHE A 91 107.579 3.876 23.529 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.417 3.346 22.959 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.624 4.145 24.904 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.299 3.083 23.760 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.505 3.882 25.706 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.343 3.350 25.133 1.00 1.24 C ATOM 0 H PHE A 91 110.524 5.237 21.124 1.00 1.21 H new ATOM 0 HA PHE A 91 107.584 5.134 21.186 1.00 1.18 H new ATOM 0 HB2 PHE A 91 109.015 3.285 22.047 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.655 4.359 23.275 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.382 3.139 21.900 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.521 4.555 25.345 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.402 2.674 23.318 1.00 1.22 H new ATOM 0 HE2 PHE A 91 106.539 4.089 26.765 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.481 3.146 25.751 1.00 1.24 H new ATOM 1304 N ASN A 92 107.296 7.407 22.260 1.00 1.15 N ATOM 1305 CA ASN A 92 107.039 8.660 23.022 1.00 1.23 C ATOM 1306 C ASN A 92 108.182 9.651 22.763 1.00 1.32 C ATOM 1307 O ASN A 92 108.626 10.343 23.655 1.00 1.42 O ATOM 1308 CB ASN A 92 106.939 8.349 24.528 1.00 1.32 C ATOM 1309 CG ASN A 92 106.078 9.409 25.223 1.00 1.74 C ATOM 1310 OD1 ASN A 92 104.896 9.213 25.423 1.00 2.32 O ATOM 1311 ND2 ASN A 92 106.627 10.530 25.602 1.00 2.24 N ATOM 0 H ASN A 92 106.664 7.241 21.477 1.00 1.15 H new ATOM 0 HA ASN A 92 106.097 9.100 22.694 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.504 7.360 24.676 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.935 8.329 24.971 1.00 1.32 H new ATOM 0 HD21 ASN A 92 106.064 11.242 26.066 1.00 2.24 H new ATOM 0 HD22 ASN A 92 107.620 10.694 25.434 1.00 2.24 H new ATOM 1318 N ASP A 93 108.650 9.720 21.540 1.00 1.28 N ATOM 1319 CA ASP A 93 109.755 10.663 21.186 1.00 1.37 C ATOM 1320 C ASP A 93 111.109 10.158 21.687 1.00 1.45 C ATOM 1321 O ASP A 93 112.079 10.890 21.671 1.00 1.53 O ATOM 1322 CB ASP A 93 109.489 12.053 21.763 1.00 1.46 C ATOM 1323 CG ASP A 93 107.991 12.360 21.700 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.382 12.035 20.693 1.00 1.92 O ATOM 1325 OD2 ASP A 93 107.478 12.913 22.659 1.00 1.83 O ATOM 0 H ASP A 93 108.308 9.155 20.763 1.00 1.28 H new ATOM 0 HA ASP A 93 109.787 10.722 20.098 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.837 12.102 22.795 1.00 1.46 H new ATOM 0 HB3 ASP A 93 110.048 12.803 21.203 1.00 1.46 H new ATOM 1330 N GLU A 94 111.211 8.912 22.084 1.00 1.43 N ATOM 1331 CA GLU A 94 112.543 8.387 22.526 1.00 1.53 C ATOM 1332 C GLU A 94 113.139 7.632 21.342 1.00 1.52 C ATOM 1333 O GLU A 94 112.841 6.477 21.098 1.00 1.48 O ATOM 1334 CB GLU A 94 112.403 7.482 23.766 1.00 1.56 C ATOM 1335 CG GLU A 94 111.640 6.181 23.440 1.00 1.95 C ATOM 1336 CD GLU A 94 112.618 5.016 23.225 1.00 1.88 C ATOM 1337 OE1 GLU A 94 113.760 5.279 22.885 1.00 2.25 O ATOM 1338 OE2 GLU A 94 112.207 3.884 23.409 1.00 2.24 O ATOM 0 H GLU A 94 110.442 8.243 22.121 1.00 1.43 H new ATOM 0 HA GLU A 94 113.201 9.204 22.824 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.393 7.237 24.151 1.00 1.56 H new ATOM 0 HB3 GLU A 94 111.880 8.023 24.554 1.00 1.56 H new ATOM 0 HG2 GLU A 94 110.955 5.942 24.254 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.034 6.324 22.545 1.00 1.95 H new ATOM 1345 N HIS A 95 113.949 8.309 20.572 1.00 1.59 N ATOM 1346 CA HIS A 95 114.552 7.677 19.369 1.00 1.59 C ATOM 1347 C HIS A 95 115.600 6.658 19.794 1.00 1.71 C ATOM 1348 O HIS A 95 116.637 6.999 20.327 1.00 1.86 O ATOM 1349 CB HIS A 95 115.209 8.752 18.501 1.00 1.65 C ATOM 1350 CG HIS A 95 116.341 9.390 19.260 1.00 1.94 C ATOM 1351 ND1 HIS A 95 116.368 10.147 20.406 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 117.661 9.283 18.847 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 117.680 10.505 20.701 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 118.418 9.959 19.731 1.00 2.88 N flip ATOM 0 H HIS A 95 114.219 9.280 20.729 1.00 1.59 H new ATOM 0 HA HIS A 95 113.771 7.175 18.798 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.581 8.310 17.576 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.474 9.507 18.221 1.00 1.65 H new ATOM 0 HD2 HIS A 95 118.016 8.754 17.975 1.00 2.62 H new ATOM 0 HE1 HIS A 95 118.027 11.097 21.535 1.00 2.68 H new ATOM 0 HE2 HIS A 95 119.432 10.044 19.668 1.00 2.88 H new ATOM 1362 N ILE A 96 115.341 5.407 19.555 1.00 1.67 N ATOM 1363 CA ILE A 96 116.329 4.363 19.938 1.00 1.82 C ATOM 1364 C ILE A 96 117.667 4.686 19.247 1.00 1.88 C ATOM 1365 O ILE A 96 117.656 5.287 18.193 1.00 1.77 O ATOM 1366 CB ILE A 96 115.824 3.001 19.455 1.00 1.82 C ATOM 1367 CG1 ILE A 96 115.255 3.151 18.041 1.00 1.98 C ATOM 1368 CG2 ILE A 96 114.727 2.496 20.394 1.00 2.35 C ATOM 1369 CD1 ILE A 96 115.086 1.770 17.407 1.00 2.27 C ATOM 0 H ILE A 96 114.490 5.061 19.112 1.00 1.67 H new ATOM 0 HA ILE A 96 116.462 4.340 21.020 1.00 1.82 H new ATOM 0 HB ILE A 96 116.648 2.287 19.448 1.00 1.82 H new ATOM 0 HG12 ILE A 96 114.295 3.666 18.077 1.00 1.98 H new ATOM 0 HG13 ILE A 96 115.922 3.762 17.433 1.00 1.98 H new ATOM 0 HG21 ILE A 96 114.369 1.526 20.048 1.00 2.35 H new ATOM 0 HG22 ILE A 96 115.129 2.396 21.402 1.00 2.35 H new ATOM 0 HG23 ILE A 96 113.900 3.206 20.402 1.00 2.35 H new ATOM 0 HD11 ILE A 96 114.681 1.879 16.401 1.00 2.27 H new ATOM 0 HD12 ILE A 96 116.054 1.272 17.357 1.00 2.27 H new ATOM 0 HD13 ILE A 96 114.402 1.174 18.011 1.00 2.27 H new ATOM 1381 N PRO A 97 118.784 4.284 19.832 1.00 2.08 N ATOM 1382 CA PRO A 97 120.101 4.548 19.217 1.00 2.18 C ATOM 1383 C PRO A 97 120.148 3.900 17.821 1.00 2.06 C ATOM 1384 O PRO A 97 120.777 2.882 17.609 1.00 2.32 O ATOM 1385 CB PRO A 97 121.129 3.913 20.189 1.00 2.43 C ATOM 1386 CG PRO A 97 120.324 3.188 21.307 1.00 2.48 C ATOM 1387 CD PRO A 97 118.836 3.557 21.120 1.00 2.25 C ATOM 0 HA PRO A 97 120.309 5.608 19.074 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.773 3.209 19.661 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.777 4.678 20.617 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.463 2.109 21.241 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.674 3.495 22.292 1.00 2.48 H new ATOM 0 HD2 PRO A 97 118.208 2.667 21.097 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.477 4.179 21.940 1.00 2.25 H new ATOM 1395 N ASP A 98 119.468 4.482 16.871 1.00 2.10 N ATOM 1396 CA ASP A 98 119.451 3.908 15.496 1.00 1.98 C ATOM 1397 C ASP A 98 118.693 4.845 14.567 1.00 1.76 C ATOM 1398 O ASP A 98 119.162 5.193 13.501 1.00 1.73 O ATOM 1399 CB ASP A 98 118.754 2.523 15.521 1.00 1.95 C ATOM 1400 CG ASP A 98 119.410 1.583 14.501 1.00 2.28 C ATOM 1401 OD1 ASP A 98 120.552 1.213 14.715 1.00 2.65 O ATOM 1402 OD2 ASP A 98 118.757 1.252 13.524 1.00 2.64 O ATOM 0 H ASP A 98 118.921 5.335 16.989 1.00 2.10 H new ATOM 0 HA ASP A 98 120.474 3.790 15.137 1.00 1.98 H new ATOM 0 HB2 ASP A 98 118.821 2.092 16.520 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.694 2.637 15.293 1.00 1.95 H new ATOM 1407 N SER A 99 117.507 5.222 14.938 1.00 1.67 N ATOM 1408 CA SER A 99 116.700 6.092 14.050 1.00 1.48 C ATOM 1409 C SER A 99 117.503 7.352 13.679 1.00 1.62 C ATOM 1410 O SER A 99 118.069 7.968 14.560 1.00 1.87 O ATOM 1411 CB SER A 99 115.434 6.515 14.795 1.00 1.48 C ATOM 1412 OG SER A 99 114.883 7.666 14.169 1.00 2.00 O ATOM 0 H SER A 99 117.061 4.965 15.819 1.00 1.67 H new ATOM 0 HA SER A 99 116.444 5.546 13.142 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.708 5.702 14.792 1.00 1.48 H new ATOM 0 HB3 SER A 99 115.667 6.730 15.838 1.00 1.48 H new ATOM 0 HG SER A 99 114.284 8.124 14.795 1.00 2.00 H new ATOM 1418 N PRO A 100 117.524 7.754 12.408 1.00 1.55 N ATOM 1419 CA PRO A 100 116.866 7.076 11.249 1.00 1.33 C ATOM 1420 C PRO A 100 117.831 6.047 10.601 1.00 1.33 C ATOM 1421 O PRO A 100 118.844 6.437 10.054 1.00 1.47 O ATOM 1422 CB PRO A 100 116.636 8.238 10.256 1.00 1.43 C ATOM 1423 CG PRO A 100 117.621 9.374 10.655 1.00 1.74 C ATOM 1424 CD PRO A 100 118.201 9.010 12.040 1.00 1.79 C ATOM 0 HA PRO A 100 115.961 6.538 11.531 1.00 1.33 H new ATOM 0 HB2 PRO A 100 116.817 7.912 9.232 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.604 8.587 10.302 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.418 9.469 9.917 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.106 10.334 10.694 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.282 8.879 11.995 1.00 1.79 H new ATOM 0 HD3 PRO A 100 118.005 9.795 12.771 1.00 1.79 H new ATOM 1432 N PHE A 101 117.538 4.753 10.609 1.00 1.25 N ATOM 1433 CA PHE A 101 118.484 3.791 9.927 1.00 1.36 C ATOM 1434 C PHE A 101 118.067 3.646 8.463 1.00 1.24 C ATOM 1435 O PHE A 101 116.906 3.754 8.120 1.00 1.16 O ATOM 1436 CB PHE A 101 118.506 2.385 10.594 1.00 1.55 C ATOM 1437 CG PHE A 101 117.231 2.099 11.350 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.929 2.859 12.463 1.00 1.50 C ATOM 1439 CD2 PHE A 101 116.382 1.055 10.963 1.00 1.78 C ATOM 1440 CE1 PHE A 101 115.781 2.602 13.211 1.00 1.83 C ATOM 1441 CE2 PHE A 101 115.223 0.791 11.705 1.00 2.18 C ATOM 1442 CZ PHE A 101 114.923 1.565 12.832 1.00 2.19 C ATOM 0 H PHE A 101 116.715 4.335 11.042 1.00 1.25 H new ATOM 0 HA PHE A 101 119.489 4.202 10.015 1.00 1.36 H new ATOM 0 HB2 PHE A 101 118.653 1.623 9.829 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.354 2.320 11.275 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.590 3.661 12.757 1.00 1.50 H new ATOM 0 HD2 PHE A 101 116.619 0.456 10.096 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.555 3.202 14.080 1.00 1.83 H new ATOM 0 HE2 PHE A 101 114.562 -0.009 11.407 1.00 2.18 H new ATOM 0 HZ PHE A 101 114.032 1.362 13.407 1.00 2.19 H new ATOM 1452 N VAL A 102 119.013 3.397 7.599 1.00 1.28 N ATOM 1453 CA VAL A 102 118.688 3.235 6.156 1.00 1.21 C ATOM 1454 C VAL A 102 118.303 1.778 5.889 1.00 1.23 C ATOM 1455 O VAL A 102 118.915 0.862 6.399 1.00 1.34 O ATOM 1456 CB VAL A 102 119.911 3.608 5.315 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.085 2.697 5.678 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.578 3.444 3.830 1.00 1.29 C ATOM 0 H VAL A 102 120.001 3.299 7.833 1.00 1.28 H new ATOM 0 HA VAL A 102 117.856 3.886 5.889 1.00 1.21 H new ATOM 0 HB VAL A 102 120.184 4.644 5.516 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.954 2.966 5.077 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.324 2.815 6.735 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.815 1.660 5.481 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.449 3.710 3.230 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.303 2.408 3.631 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.745 4.097 3.570 1.00 1.29 H new ATOM 1468 N VAL A 103 117.288 1.565 5.091 1.00 1.15 N ATOM 1469 CA VAL A 103 116.831 0.176 4.767 1.00 1.19 C ATOM 1470 C VAL A 103 116.938 -0.026 3.241 1.00 1.19 C ATOM 1471 O VAL A 103 115.979 0.199 2.533 1.00 1.10 O ATOM 1472 CB VAL A 103 115.371 0.030 5.211 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.805 -1.311 4.725 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.309 0.087 6.740 1.00 1.14 C ATOM 0 H VAL A 103 116.747 2.305 4.643 1.00 1.15 H new ATOM 0 HA VAL A 103 117.443 -0.567 5.279 1.00 1.19 H new ATOM 0 HB VAL A 103 114.779 0.839 4.783 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.767 -1.406 5.045 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.854 -1.354 3.637 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.391 -2.128 5.147 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.274 -0.016 7.066 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.904 -0.725 7.159 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.705 1.042 7.085 1.00 1.14 H new ATOM 1484 N PRO A 104 118.107 -0.407 2.761 1.00 1.29 N ATOM 1485 CA PRO A 104 118.319 -0.584 1.312 1.00 1.30 C ATOM 1486 C PRO A 104 117.468 -1.737 0.753 1.00 1.33 C ATOM 1487 O PRO A 104 117.696 -2.897 1.041 1.00 1.44 O ATOM 1488 CB PRO A 104 119.834 -0.877 1.162 1.00 1.42 C ATOM 1489 CG PRO A 104 120.449 -0.903 2.592 1.00 1.49 C ATOM 1490 CD PRO A 104 119.296 -0.685 3.597 1.00 1.41 C ATOM 0 HA PRO A 104 118.017 0.299 0.749 1.00 1.30 H new ATOM 0 HB2 PRO A 104 119.992 -1.831 0.659 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.314 -0.112 0.552 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.945 -1.855 2.779 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.204 -0.124 2.699 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.143 -1.566 4.220 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.510 0.147 4.268 1.00 1.41 H new ATOM 1498 N VAL A 105 116.511 -1.418 -0.078 1.00 1.25 N ATOM 1499 CA VAL A 105 115.669 -2.478 -0.704 1.00 1.29 C ATOM 1500 C VAL A 105 116.370 -2.884 -2.009 1.00 1.35 C ATOM 1501 O VAL A 105 116.982 -2.052 -2.666 1.00 1.31 O ATOM 1502 CB VAL A 105 114.266 -1.914 -0.964 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.455 -2.856 -1.865 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.543 -1.760 0.371 1.00 1.15 C ATOM 0 H VAL A 105 116.276 -0.464 -0.351 1.00 1.25 H new ATOM 0 HA VAL A 105 115.555 -3.351 -0.061 1.00 1.29 H new ATOM 0 HB VAL A 105 114.362 -0.951 -1.465 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.464 -2.434 -2.034 1.00 1.26 H new ATOM 0 HG12 VAL A 105 113.967 -2.976 -2.820 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.357 -3.828 -1.381 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.544 -1.360 0.200 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.466 -2.732 0.857 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.102 -1.078 1.011 1.00 1.15 H new ATOM 1514 N ALA A 106 116.335 -4.158 -2.358 1.00 1.46 N ATOM 1515 CA ALA A 106 117.056 -4.644 -3.589 1.00 1.53 C ATOM 1516 C ALA A 106 116.123 -5.455 -4.518 1.00 1.59 C ATOM 1517 O ALA A 106 115.442 -6.359 -4.106 1.00 1.66 O ATOM 1518 CB ALA A 106 118.224 -5.534 -3.118 1.00 1.67 C ATOM 0 H ALA A 106 115.837 -4.882 -1.841 1.00 1.46 H new ATOM 0 HA ALA A 106 117.412 -3.788 -4.162 1.00 1.53 H new ATOM 0 HB1 ALA A 106 118.771 -5.905 -3.985 1.00 1.67 H new ATOM 0 HB2 ALA A 106 118.895 -4.950 -2.488 1.00 1.67 H new ATOM 0 HB3 ALA A 106 117.833 -6.376 -2.548 1.00 1.67 H new ATOM 1524 N SER A 107 116.121 -5.142 -5.782 1.00 1.59 N ATOM 1525 CA SER A 107 115.275 -5.884 -6.763 1.00 1.67 C ATOM 1526 C SER A 107 116.175 -6.881 -7.469 1.00 1.81 C ATOM 1527 O SER A 107 116.725 -6.608 -8.515 1.00 1.83 O ATOM 1528 CB SER A 107 114.691 -4.922 -7.798 1.00 1.60 C ATOM 1529 OG SER A 107 115.751 -4.230 -8.444 1.00 2.04 O ATOM 0 H SER A 107 116.679 -4.390 -6.186 1.00 1.59 H new ATOM 0 HA SER A 107 114.452 -6.381 -6.250 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.100 -5.472 -8.531 1.00 1.60 H new ATOM 0 HB3 SER A 107 114.019 -4.213 -7.314 1.00 1.60 H new ATOM 0 HG SER A 107 116.444 -4.869 -8.711 1.00 2.04 H new ATOM 1535 N LEU A 108 116.355 -8.013 -6.873 1.00 1.98 N ATOM 1536 CA LEU A 108 117.254 -9.050 -7.457 1.00 2.16 C ATOM 1537 C LEU A 108 118.680 -8.499 -7.452 1.00 2.13 C ATOM 1538 O LEU A 108 119.619 -9.158 -7.851 1.00 2.33 O ATOM 1539 CB LEU A 108 116.828 -9.399 -8.892 1.00 2.25 C ATOM 1540 CG LEU A 108 115.308 -9.580 -8.962 1.00 2.76 C ATOM 1541 CD1 LEU A 108 114.927 -10.141 -10.333 1.00 3.20 C ATOM 1542 CD2 LEU A 108 114.854 -10.556 -7.871 1.00 3.20 C ATOM 0 H LEU A 108 115.914 -8.276 -5.992 1.00 1.98 H new ATOM 0 HA LEU A 108 117.196 -9.963 -6.864 1.00 2.16 H new ATOM 0 HB2 LEU A 108 117.139 -8.608 -9.574 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.326 -10.313 -9.215 1.00 2.25 H new ATOM 0 HG LEU A 108 114.822 -8.616 -8.811 1.00 2.76 H new ATOM 0 HD11 LEU A 108 113.846 -10.271 -10.385 1.00 3.20 H new ATOM 0 HD12 LEU A 108 115.248 -9.449 -11.111 1.00 3.20 H new ATOM 0 HD13 LEU A 108 115.416 -11.104 -10.481 1.00 3.20 H new ATOM 0 HD21 LEU A 108 113.773 -10.683 -7.923 1.00 3.20 H new ATOM 0 HD22 LEU A 108 115.340 -11.520 -8.020 1.00 3.20 H new ATOM 0 HD23 LEU A 108 115.126 -10.160 -6.893 1.00 3.20 H new ATOM 1554 N SER A 109 118.843 -7.288 -6.980 1.00 1.93 N ATOM 1555 CA SER A 109 120.197 -6.671 -6.914 1.00 1.92 C ATOM 1556 C SER A 109 120.839 -7.025 -5.576 1.00 2.00 C ATOM 1557 O SER A 109 122.045 -7.006 -5.432 1.00 2.09 O ATOM 1558 CB SER A 109 120.076 -5.156 -7.058 1.00 1.77 C ATOM 1559 OG SER A 109 119.563 -4.602 -5.857 1.00 2.06 O ATOM 0 H SER A 109 118.086 -6.697 -6.635 1.00 1.93 H new ATOM 0 HA SER A 109 120.820 -7.051 -7.724 1.00 1.92 H new ATOM 0 HB2 SER A 109 121.051 -4.723 -7.282 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.419 -4.911 -7.893 1.00 1.77 H new ATOM 0 HG SER A 109 119.488 -3.629 -5.951 1.00 2.06 H new ATOM 1565 N ASP A 110 120.044 -7.348 -4.587 1.00 1.99 N ATOM 1566 CA ASP A 110 120.622 -7.701 -3.257 1.00 2.10 C ATOM 1567 C ASP A 110 121.609 -6.611 -2.851 1.00 2.06 C ATOM 1568 O ASP A 110 122.394 -6.768 -1.937 1.00 2.19 O ATOM 1569 CB ASP A 110 121.351 -9.044 -3.353 1.00 2.32 C ATOM 1570 CG ASP A 110 121.774 -9.499 -1.955 1.00 2.37 C ATOM 1571 OD1 ASP A 110 120.930 -9.508 -1.075 1.00 2.61 O ATOM 1572 OD2 ASP A 110 122.936 -9.831 -1.789 1.00 2.85 O ATOM 0 H ASP A 110 119.026 -7.382 -4.643 1.00 1.99 H new ATOM 0 HA ASP A 110 119.828 -7.781 -2.515 1.00 2.10 H new ATOM 0 HB2 ASP A 110 120.700 -9.791 -3.808 1.00 2.32 H new ATOM 0 HB3 ASP A 110 122.226 -8.949 -3.996 1.00 2.32 H new ATOM 1836 N ARG B 8 112.975 11.214 -1.896 1.00 0.48 N ATOM 1837 CA ARG B 8 112.091 10.101 -2.351 1.00 0.50 C ATOM 1838 C ARG B 8 110.632 10.476 -2.095 1.00 0.48 C ATOM 1839 O ARG B 8 110.319 11.590 -1.723 1.00 0.96 O ATOM 1840 CB ARG B 8 112.410 8.813 -1.572 1.00 0.67 C ATOM 1841 CG ARG B 8 113.919 8.674 -1.349 1.00 0.80 C ATOM 1842 CD ARG B 8 114.614 8.521 -2.699 1.00 1.18 C ATOM 1843 NE ARG B 8 115.970 7.904 -2.511 1.00 1.76 N ATOM 1844 CZ ARG B 8 116.849 8.420 -1.693 1.00 2.26 C ATOM 1845 NH1 ARG B 8 116.648 9.593 -1.158 1.00 3.04 N ATOM 1846 NH2 ARG B 8 117.964 7.784 -1.457 1.00 2.64 N ATOM 0 HA ARG B 8 112.260 9.933 -3.415 1.00 0.50 H new ATOM 0 HB2 ARG B 8 111.895 8.826 -0.611 1.00 0.67 H new ATOM 0 HB3 ARG B 8 112.037 7.948 -2.121 1.00 0.67 H new ATOM 0 HG2 ARG B 8 114.303 9.550 -0.826 1.00 0.80 H new ATOM 0 HG3 ARG B 8 114.127 7.809 -0.719 1.00 0.80 H new ATOM 0 HD2 ARG B 8 114.010 7.899 -3.360 1.00 1.18 H new ATOM 0 HD3 ARG B 8 114.712 9.494 -3.180 1.00 1.18 H new ATOM 0 HE ARG B 8 116.211 7.062 -3.034 1.00 1.76 H new ATOM 0 HH11 ARG B 8 115.799 10.115 -1.377 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.339 9.988 -0.521 1.00 3.04 H new ATOM 0 HH21 ARG B 8 118.146 6.889 -1.910 1.00 2.64 H new ATOM 0 HH22 ARG B 8 118.653 8.182 -0.819 1.00 2.64 H new ATOM 1860 N VAL B 9 109.741 9.541 -2.266 1.00 0.42 N ATOM 1861 CA VAL B 9 108.308 9.826 -2.004 1.00 0.36 C ATOM 1862 C VAL B 9 108.147 10.030 -0.492 1.00 0.28 C ATOM 1863 O VAL B 9 108.999 9.649 0.287 1.00 0.38 O ATOM 1864 CB VAL B 9 107.463 8.639 -2.511 1.00 0.45 C ATOM 1865 CG1 VAL B 9 106.141 8.530 -1.739 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.156 8.824 -4.003 1.00 0.66 C ATOM 0 H VAL B 9 109.946 8.591 -2.576 1.00 0.42 H new ATOM 0 HA VAL B 9 107.970 10.722 -2.524 1.00 0.36 H new ATOM 0 HB VAL B 9 108.036 7.725 -2.354 1.00 0.45 H new ATOM 0 HG11 VAL B 9 105.567 7.685 -2.118 1.00 0.67 H new ATOM 0 HG12 VAL B 9 106.350 8.381 -0.680 1.00 0.67 H new ATOM 0 HG13 VAL B 9 105.566 9.447 -1.870 1.00 0.67 H new ATOM 0 HG21 VAL B 9 106.559 7.984 -4.359 1.00 0.66 H new ATOM 0 HG22 VAL B 9 106.601 9.751 -4.148 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.090 8.869 -4.564 1.00 0.66 H new ATOM 1876 N ALA B 10 107.078 10.648 -0.074 1.00 0.27 N ATOM 1877 CA ALA B 10 106.874 10.907 1.389 1.00 0.35 C ATOM 1878 C ALA B 10 105.963 9.845 2.007 1.00 0.26 C ATOM 1879 O ALA B 10 104.969 9.451 1.431 1.00 0.40 O ATOM 1880 CB ALA B 10 106.228 12.283 1.570 1.00 0.58 C ATOM 0 H ALA B 10 106.331 10.988 -0.680 1.00 0.27 H new ATOM 0 HA ALA B 10 107.843 10.872 1.887 1.00 0.35 H new ATOM 0 HB1 ALA B 10 106.077 12.477 2.632 1.00 0.58 H new ATOM 0 HB2 ALA B 10 106.880 13.049 1.150 1.00 0.58 H new ATOM 0 HB3 ALA B 10 105.266 12.304 1.057 1.00 0.58 H new ATOM 1886 N SER B 11 106.292 9.394 3.194 1.00 0.23 N ATOM 1887 CA SER B 11 105.450 8.371 3.883 1.00 0.22 C ATOM 1888 C SER B 11 105.437 8.684 5.382 1.00 0.23 C ATOM 1889 O SER B 11 106.468 8.907 5.984 1.00 0.30 O ATOM 1890 CB SER B 11 106.040 6.981 3.652 1.00 0.36 C ATOM 1891 OG SER B 11 105.293 6.023 4.390 1.00 1.19 O ATOM 0 H SER B 11 107.114 9.695 3.717 1.00 0.23 H new ATOM 0 HA SER B 11 104.434 8.393 3.488 1.00 0.22 H new ATOM 0 HB2 SER B 11 106.018 6.736 2.590 1.00 0.36 H new ATOM 0 HB3 SER B 11 107.085 6.961 3.962 1.00 0.36 H new ATOM 0 HG SER B 11 105.669 5.130 4.242 1.00 1.19 H new ATOM 1897 N SER B 12 104.279 8.719 5.990 1.00 0.27 N ATOM 1898 CA SER B 12 104.213 9.034 7.449 1.00 0.35 C ATOM 1899 C SER B 12 103.001 8.347 8.080 1.00 0.31 C ATOM 1900 O SER B 12 101.879 8.515 7.645 1.00 0.41 O ATOM 1901 CB SER B 12 104.088 10.546 7.635 1.00 0.52 C ATOM 1902 OG SER B 12 103.680 10.823 8.968 1.00 1.38 O ATOM 0 H SER B 12 103.380 8.544 5.542 1.00 0.27 H new ATOM 0 HA SER B 12 105.121 8.674 7.933 1.00 0.35 H new ATOM 0 HB2 SER B 12 105.042 11.030 7.427 1.00 0.52 H new ATOM 0 HB3 SER B 12 103.364 10.952 6.929 1.00 0.52 H new ATOM 0 HG SER B 12 103.600 11.792 9.091 1.00 1.38 H new ATOM 1908 N VAL B 13 103.226 7.580 9.111 1.00 0.27 N ATOM 1909 CA VAL B 13 102.106 6.875 9.797 1.00 0.27 C ATOM 1910 C VAL B 13 102.660 6.203 11.050 1.00 0.32 C ATOM 1911 O VAL B 13 103.843 6.294 11.336 1.00 0.41 O ATOM 1912 CB VAL B 13 101.509 5.817 8.860 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.577 4.771 8.527 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.302 5.134 9.530 1.00 0.41 C ATOM 0 H VAL B 13 104.148 7.410 9.512 1.00 0.27 H new ATOM 0 HA VAL B 13 101.323 7.584 10.067 1.00 0.27 H new ATOM 0 HB VAL B 13 101.174 6.301 7.943 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.154 4.019 7.861 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.421 5.256 8.037 1.00 0.42 H new ATOM 0 HG13 VAL B 13 102.917 4.293 9.446 1.00 0.42 H new ATOM 0 HG21 VAL B 13 99.887 4.385 8.855 1.00 0.41 H new ATOM 0 HG22 VAL B 13 100.623 4.652 10.454 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.541 5.881 9.756 1.00 0.41 H new ATOM 1924 N PHE B 14 101.838 5.527 11.808 1.00 0.36 N ATOM 1925 CA PHE B 14 102.377 4.863 13.027 1.00 0.45 C ATOM 1926 C PHE B 14 101.268 4.223 13.880 1.00 0.34 C ATOM 1927 O PHE B 14 100.136 4.077 13.464 1.00 0.35 O ATOM 1928 CB PHE B 14 103.152 5.895 13.867 1.00 0.59 C ATOM 1929 CG PHE B 14 102.610 7.301 13.677 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.234 7.528 13.661 1.00 0.70 C ATOM 1931 CD2 PHE B 14 103.493 8.392 13.578 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.746 8.831 13.531 1.00 1.03 C ATOM 1933 CE2 PHE B 14 103.007 9.682 13.463 1.00 1.79 C ATOM 1934 CZ PHE B 14 101.631 9.911 13.435 1.00 1.54 C ATOM 0 H PHE B 14 100.839 5.408 11.641 1.00 0.36 H new ATOM 0 HA PHE B 14 103.041 4.061 12.705 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.094 5.623 14.921 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.206 5.871 13.589 1.00 0.59 H new ATOM 0 HD1 PHE B 14 100.547 6.699 13.749 1.00 0.70 H new ATOM 0 HD2 PHE B 14 104.559 8.221 13.592 1.00 1.40 H new ATOM 0 HE1 PHE B 14 99.681 9.006 13.504 1.00 1.03 H new ATOM 0 HE2 PHE B 14 103.694 10.513 13.395 1.00 1.79 H new ATOM 0 HZ PHE B 14 101.250 10.917 13.340 1.00 1.54 H new ATOM 1944 N ILE B 15 101.624 3.841 15.087 1.00 0.34 N ATOM 1945 CA ILE B 15 100.657 3.202 16.025 1.00 0.33 C ATOM 1946 C ILE B 15 100.943 3.733 17.442 1.00 0.31 C ATOM 1947 O ILE B 15 102.020 4.228 17.722 1.00 0.58 O ATOM 1948 CB ILE B 15 100.843 1.666 15.959 1.00 0.51 C ATOM 1949 CG1 ILE B 15 100.471 1.004 17.293 1.00 0.62 C ATOM 1950 CG2 ILE B 15 102.303 1.338 15.640 1.00 0.83 C ATOM 1951 CD1 ILE B 15 100.361 -0.510 17.098 1.00 1.25 C ATOM 0 H ILE B 15 102.566 3.950 15.464 1.00 0.34 H new ATOM 0 HA ILE B 15 99.627 3.438 15.757 1.00 0.33 H new ATOM 0 HB ILE B 15 100.186 1.282 15.179 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.225 1.231 18.046 1.00 0.62 H new ATOM 0 HG13 ILE B 15 99.525 1.404 17.659 1.00 0.62 H new ATOM 0 HG21 ILE B 15 102.431 0.257 15.594 1.00 0.83 H new ATOM 0 HG22 ILE B 15 102.573 1.777 14.679 1.00 0.83 H new ATOM 0 HG23 ILE B 15 102.946 1.747 16.419 1.00 0.83 H new ATOM 0 HD11 ILE B 15 100.097 -0.981 18.045 1.00 1.25 H new ATOM 0 HD12 ILE B 15 99.591 -0.727 16.358 1.00 1.25 H new ATOM 0 HD13 ILE B 15 101.317 -0.903 16.752 1.00 1.25 H new ATOM 1963 N THR B 16 99.987 3.632 18.334 1.00 0.35 N ATOM 1964 CA THR B 16 100.190 4.126 19.735 1.00 0.47 C ATOM 1965 C THR B 16 99.729 3.054 20.726 1.00 0.31 C ATOM 1966 O THR B 16 98.851 2.266 20.436 1.00 0.35 O ATOM 1967 CB THR B 16 99.368 5.400 19.946 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.347 5.723 21.330 1.00 1.61 O ATOM 1969 CG2 THR B 16 97.938 5.176 19.451 1.00 1.40 C ATOM 0 H THR B 16 99.069 3.226 18.152 1.00 0.35 H new ATOM 0 HA THR B 16 101.246 4.340 19.897 1.00 0.47 H new ATOM 0 HB THR B 16 99.818 6.220 19.387 1.00 0.75 H new ATOM 0 HG1 THR B 16 100.247 5.622 21.703 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.354 6.084 19.602 1.00 1.40 H new ATOM 0 HG22 THR B 16 97.955 4.928 18.390 1.00 1.40 H new ATOM 0 HG23 THR B 16 97.484 4.356 20.008 1.00 1.40 H new ATOM 1977 N LEU B 17 100.322 3.020 21.898 1.00 0.39 N ATOM 1978 CA LEU B 17 99.934 2.001 22.928 1.00 0.44 C ATOM 1979 C LEU B 17 99.255 2.699 24.110 1.00 0.31 C ATOM 1980 O LEU B 17 99.647 3.774 24.520 1.00 0.54 O ATOM 1981 CB LEU B 17 101.190 1.280 23.426 1.00 0.72 C ATOM 1982 CG LEU B 17 102.028 0.801 22.234 1.00 0.83 C ATOM 1983 CD1 LEU B 17 103.212 -0.027 22.745 1.00 1.06 C ATOM 1984 CD2 LEU B 17 101.164 -0.061 21.303 1.00 1.32 C ATOM 0 H LEU B 17 101.063 3.659 22.187 1.00 0.39 H new ATOM 0 HA LEU B 17 99.246 1.282 22.484 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.781 1.951 24.050 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.909 0.430 24.048 1.00 0.72 H new ATOM 0 HG LEU B 17 102.397 1.666 21.682 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.809 -0.369 21.899 1.00 1.06 H new ATOM 0 HD12 LEU B 17 103.829 0.587 23.401 1.00 1.06 H new ATOM 0 HD13 LEU B 17 102.841 -0.889 23.299 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.764 -0.398 20.458 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.790 -0.926 21.851 1.00 1.32 H new ATOM 0 HD23 LEU B 17 100.323 0.528 20.938 1.00 1.32 H new