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 59 SER OG : rot -131:sc= 0.231 USER MOD Set 1.2: A 80 GLN : amide:sc= 0.789 K(o=1,f=-4.2!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 151:sc= -2.13! (180deg=-1.92) USER MOD Set 2.2: A 43 THR OG1 : rot 177:sc= -1.25! USER MOD Single : A 19 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 20:sc= 1.06 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -1.33 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.547 USER MOD Single : A 85 TYR OH : rot -10:sc= 0.338 USER MOD Single : A 88 SER OG : rot 43:sc= -1.21! USER MOD Single : A 90 LYS NZ :NH3+ -139:sc= -1.04 (180deg=-2.92!) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.041 F(o=-1.3,f=-0.041) USER MOD Single : A 95 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-7.3!) USER MOD Single : A 99 SER OG : rot 179:sc= 1.03 USER MOD Single : A 107 SER OG : rot 68:sc= 0.983 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= -1.65! USER MOD Single : B 12 SER OG : rot 37:sc= 0.174 USER MOD Single : B 16 THR OG1 : rot 33:sc= 0.27 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 114.749 7.137 28.324 1.00 2.21 N ATOM 228 CA GLY A 16 113.357 6.670 28.105 1.00 2.06 C ATOM 229 C GLY A 16 113.362 5.168 27.830 1.00 1.98 C ATOM 230 O GLY A 16 114.330 4.482 28.093 1.00 2.44 O ATOM 0 HA2 GLY A 16 112.747 6.888 28.981 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.911 7.203 27.265 1.00 2.06 H new ATOM 234 N GLY A 17 112.287 4.647 27.308 1.00 1.81 N ATOM 235 CA GLY A 17 112.231 3.188 27.025 1.00 1.74 C ATOM 236 C GLY A 17 113.169 2.842 25.869 1.00 1.78 C ATOM 237 O GLY A 17 113.356 1.686 25.546 1.00 1.80 O ATOM 0 H GLY A 17 111.445 5.169 27.065 1.00 1.81 H new ATOM 0 HA2 GLY A 17 112.515 2.626 27.915 1.00 1.74 H new ATOM 0 HA3 GLY A 17 111.211 2.897 26.776 1.00 1.74 H new ATOM 241 N ALA A 18 113.768 3.819 25.233 1.00 1.84 N ATOM 242 CA ALA A 18 114.689 3.499 24.103 1.00 1.96 C ATOM 243 C ALA A 18 115.656 2.396 24.538 1.00 2.07 C ATOM 244 O ALA A 18 116.330 1.790 23.729 1.00 2.21 O ATOM 245 CB ALA A 18 115.473 4.752 23.700 1.00 2.09 C ATOM 0 H ALA A 18 113.660 4.811 25.445 1.00 1.84 H new ATOM 0 HA ALA A 18 114.109 3.156 23.246 1.00 1.96 H new ATOM 0 HB1 ALA A 18 116.143 4.512 22.875 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.778 5.531 23.388 1.00 2.09 H new ATOM 0 HB3 ALA A 18 116.056 5.105 24.550 1.00 2.09 H new ATOM 251 N HIS A 19 115.717 2.124 25.814 1.00 2.06 N ATOM 252 CA HIS A 19 116.623 1.055 26.315 1.00 2.21 C ATOM 253 C HIS A 19 115.832 -0.249 26.458 1.00 2.15 C ATOM 254 O HIS A 19 116.281 -1.304 26.057 1.00 2.33 O ATOM 255 CB HIS A 19 117.185 1.464 27.679 1.00 2.33 C ATOM 256 CG HIS A 19 117.998 0.335 28.250 1.00 2.51 C ATOM 257 ND1 HIS A 19 118.485 -0.698 27.465 1.00 2.79 N ATOM 258 CD2 HIS A 19 118.418 0.064 29.528 1.00 2.86 C ATOM 259 CE1 HIS A 19 119.164 -1.535 28.271 1.00 2.87 C ATOM 260 NE2 HIS A 19 119.154 -1.118 29.539 1.00 2.87 N ATOM 0 H HIS A 19 115.174 2.601 26.534 1.00 2.06 H new ATOM 0 HA HIS A 19 117.444 0.910 25.613 1.00 2.21 H new ATOM 0 HB2 HIS A 19 117.804 2.355 27.576 1.00 2.33 H new ATOM 0 HB3 HIS A 19 116.371 1.718 28.357 1.00 2.33 H new ATOM 0 HD1 HIS A 19 118.353 -0.805 26.459 1.00 2.79 H new ATOM 0 HD2 HIS A 19 118.209 0.675 30.394 1.00 2.86 H new ATOM 0 HE1 HIS A 19 119.657 -2.435 27.933 1.00 2.87 H new ATOM 268 N LYS A 20 114.653 -0.187 27.024 1.00 2.02 N ATOM 269 CA LYS A 20 113.842 -1.427 27.185 1.00 2.01 C ATOM 270 C LYS A 20 113.154 -1.758 25.859 1.00 1.90 C ATOM 271 O LYS A 20 112.849 -2.899 25.576 1.00 1.96 O ATOM 272 CB LYS A 20 112.792 -1.221 28.291 1.00 1.99 C ATOM 273 CG LYS A 20 111.713 -0.198 27.849 1.00 1.81 C ATOM 274 CD LYS A 20 110.434 -0.924 27.386 1.00 1.74 C ATOM 275 CE LYS A 20 109.448 0.072 26.737 1.00 1.58 C ATOM 276 NZ LYS A 20 108.093 -0.127 27.326 1.00 1.94 N ATOM 0 H LYS A 20 114.220 0.666 27.379 1.00 2.02 H new ATOM 0 HA LYS A 20 114.492 -2.255 27.468 1.00 2.01 H new ATOM 0 HB2 LYS A 20 112.319 -2.173 28.530 1.00 1.99 H new ATOM 0 HB3 LYS A 20 113.280 -0.870 29.200 1.00 1.99 H new ATOM 0 HG2 LYS A 20 111.478 0.471 28.677 1.00 1.81 H new ATOM 0 HG3 LYS A 20 112.100 0.420 27.039 1.00 1.81 H new ATOM 0 HD2 LYS A 20 110.692 -1.706 26.672 1.00 1.74 H new ATOM 0 HD3 LYS A 20 109.959 -1.413 28.237 1.00 1.74 H new ATOM 0 HE2 LYS A 20 109.784 1.096 26.904 1.00 1.58 H new ATOM 0 HE3 LYS A 20 109.415 -0.081 25.658 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 107.569 0.771 27.302 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 107.577 -0.844 26.777 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 108.186 -0.447 28.311 1.00 1.94 H new ATOM 290 N VAL A 21 112.915 -0.771 25.036 1.00 1.80 N ATOM 291 CA VAL A 21 112.257 -1.041 23.726 1.00 1.71 C ATOM 292 C VAL A 21 113.159 -1.941 22.893 1.00 1.76 C ATOM 293 O VAL A 21 114.230 -1.555 22.470 1.00 1.81 O ATOM 294 CB VAL A 21 112.017 0.277 22.981 1.00 1.64 C ATOM 295 CG1 VAL A 21 111.492 -0.018 21.572 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.988 1.121 23.741 1.00 1.75 C ATOM 0 H VAL A 21 113.146 0.206 25.214 1.00 1.80 H new ATOM 0 HA VAL A 21 111.299 -1.532 23.895 1.00 1.71 H new ATOM 0 HB VAL A 21 112.956 0.826 22.913 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.322 0.920 21.043 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.225 -0.613 21.028 1.00 2.07 H new ATOM 0 HG13 VAL A 21 110.555 -0.571 21.641 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.820 2.057 23.208 1.00 1.75 H new ATOM 0 HG22 VAL A 21 110.049 0.572 23.814 1.00 1.75 H new ATOM 0 HG23 VAL A 21 111.362 1.335 24.742 1.00 1.75 H new ATOM 306 N ARG A 22 112.725 -3.145 22.661 1.00 1.78 N ATOM 307 CA ARG A 22 113.532 -4.106 21.863 1.00 1.85 C ATOM 308 C ARG A 22 112.981 -4.166 20.438 1.00 1.74 C ATOM 309 O ARG A 22 111.786 -4.208 20.221 1.00 1.66 O ATOM 310 CB ARG A 22 113.423 -5.483 22.519 1.00 1.96 C ATOM 311 CG ARG A 22 114.294 -6.522 21.775 1.00 2.03 C ATOM 312 CD ARG A 22 115.725 -6.500 22.325 1.00 2.18 C ATOM 313 NE ARG A 22 115.733 -7.062 23.704 1.00 2.75 N ATOM 314 CZ ARG A 22 116.859 -7.422 24.255 1.00 3.10 C ATOM 315 NH1 ARG A 22 117.979 -7.286 23.600 1.00 3.50 N ATOM 316 NH2 ARG A 22 116.865 -7.919 25.462 1.00 3.33 N ATOM 0 H ARG A 22 111.833 -3.510 22.995 1.00 1.78 H new ATOM 0 HA ARG A 22 114.575 -3.792 21.827 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.737 -5.419 23.561 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.383 -5.808 22.519 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.866 -7.518 21.892 1.00 2.03 H new ATOM 0 HG3 ARG A 22 114.303 -6.303 20.707 1.00 2.03 H new ATOM 0 HD2 ARG A 22 116.383 -7.081 21.680 1.00 2.18 H new ATOM 0 HD3 ARG A 22 116.107 -5.479 22.334 1.00 2.18 H new ATOM 0 HE ARG A 22 114.858 -7.165 24.218 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.974 -6.898 22.657 1.00 3.50 H new ATOM 0 HH12 ARG A 22 118.859 -7.568 24.031 1.00 3.50 H new ATOM 0 HH21 ARG A 22 115.989 -8.026 25.974 1.00 3.33 H new ATOM 0 HH22 ARG A 22 117.745 -8.201 25.893 1.00 3.33 H new ATOM 330 N ALA A 23 113.851 -4.183 19.467 1.00 1.77 N ATOM 331 CA ALA A 23 113.400 -4.254 18.048 1.00 1.68 C ATOM 332 C ALA A 23 114.448 -5.020 17.241 1.00 1.77 C ATOM 333 O ALA A 23 115.563 -4.569 17.070 1.00 1.83 O ATOM 334 CB ALA A 23 113.254 -2.838 17.487 1.00 1.59 C ATOM 0 H ALA A 23 114.862 -4.151 19.596 1.00 1.77 H new ATOM 0 HA ALA A 23 112.438 -4.763 17.986 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.924 -2.890 16.449 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.519 -2.288 18.074 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.215 -2.326 17.537 1.00 1.59 H new ATOM 340 N GLY A 24 114.105 -6.180 16.750 1.00 1.80 N ATOM 341 CA GLY A 24 115.093 -6.978 15.959 1.00 1.90 C ATOM 342 C GLY A 24 114.358 -7.840 14.935 1.00 1.86 C ATOM 343 O GLY A 24 113.384 -8.497 15.248 1.00 1.86 O ATOM 0 H GLY A 24 113.187 -6.611 16.860 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.791 -6.311 15.453 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.681 -7.610 16.625 1.00 1.90 H new ATOM 347 N GLY A 25 114.812 -7.846 13.711 1.00 1.85 N ATOM 348 CA GLY A 25 114.130 -8.670 12.678 1.00 1.84 C ATOM 349 C GLY A 25 114.858 -8.549 11.338 1.00 1.84 C ATOM 350 O GLY A 25 115.799 -7.794 11.192 1.00 1.84 O ATOM 0 H GLY A 25 115.622 -7.318 13.385 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.105 -9.713 12.993 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.095 -8.345 12.568 1.00 1.84 H new ATOM 354 N THR A 26 114.424 -9.294 10.358 1.00 1.86 N ATOM 355 CA THR A 26 115.075 -9.240 9.023 1.00 1.87 C ATOM 356 C THR A 26 114.623 -7.985 8.278 1.00 1.75 C ATOM 357 O THR A 26 115.250 -7.556 7.329 1.00 1.76 O ATOM 358 CB THR A 26 114.684 -10.479 8.215 1.00 1.96 C ATOM 359 OG1 THR A 26 114.875 -11.641 9.011 1.00 2.31 O ATOM 360 CG2 THR A 26 115.554 -10.567 6.960 1.00 2.29 C ATOM 0 H THR A 26 113.640 -9.942 10.428 1.00 1.86 H new ATOM 0 HA THR A 26 116.157 -9.213 9.151 1.00 1.87 H new ATOM 0 HB THR A 26 113.636 -10.408 7.923 1.00 1.96 H new ATOM 0 HG1 THR A 26 114.623 -12.436 8.496 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.275 -11.450 6.385 1.00 2.29 H new ATOM 0 HG22 THR A 26 115.405 -9.675 6.351 1.00 2.29 H new ATOM 0 HG23 THR A 26 116.603 -10.639 7.249 1.00 2.29 H new ATOM 368 N GLY A 27 113.543 -7.387 8.699 1.00 1.64 N ATOM 369 CA GLY A 27 113.065 -6.159 8.011 1.00 1.54 C ATOM 370 C GLY A 27 114.056 -5.033 8.274 1.00 1.50 C ATOM 371 O GLY A 27 114.144 -4.075 7.531 1.00 1.46 O ATOM 0 H GLY A 27 112.974 -7.696 9.487 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.973 -6.338 6.940 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.075 -5.883 8.375 1.00 1.54 H new ATOM 375 N LEU A 28 114.808 -5.149 9.330 1.00 1.57 N ATOM 376 CA LEU A 28 115.806 -4.098 9.662 1.00 1.59 C ATOM 377 C LEU A 28 117.091 -4.367 8.877 1.00 1.69 C ATOM 378 O LEU A 28 118.018 -3.582 8.887 1.00 1.83 O ATOM 379 CB LEU A 28 116.098 -4.148 11.165 1.00 1.65 C ATOM 380 CG LEU A 28 114.802 -4.424 11.934 1.00 1.58 C ATOM 381 CD1 LEU A 28 115.065 -4.295 13.438 1.00 1.66 C ATOM 382 CD2 LEU A 28 113.728 -3.413 11.517 1.00 1.61 C ATOM 0 H LEU A 28 114.774 -5.933 9.982 1.00 1.57 H new ATOM 0 HA LEU A 28 115.419 -3.113 9.399 1.00 1.59 H new ATOM 0 HB2 LEU A 28 116.831 -4.926 11.377 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.532 -3.203 11.492 1.00 1.65 H new ATOM 0 HG LEU A 28 114.456 -5.433 11.707 1.00 1.58 H new ATOM 0 HD11 LEU A 28 114.144 -4.491 13.987 1.00 1.66 H new ATOM 0 HD12 LEU A 28 115.826 -5.016 13.737 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.413 -3.286 13.661 1.00 1.66 H new ATOM 0 HD21 LEU A 28 112.808 -3.613 12.066 1.00 1.61 H new ATOM 0 HD22 LEU A 28 114.072 -2.403 11.741 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.539 -3.503 10.447 1.00 1.61 H new ATOM 394 N GLU A 29 117.152 -5.485 8.206 1.00 1.73 N ATOM 395 CA GLU A 29 118.371 -5.834 7.426 1.00 1.84 C ATOM 396 C GLU A 29 118.268 -5.261 6.009 1.00 1.75 C ATOM 397 O GLU A 29 119.119 -4.513 5.572 1.00 1.78 O ATOM 398 CB GLU A 29 118.491 -7.356 7.366 1.00 2.00 C ATOM 399 CG GLU A 29 118.627 -7.909 8.792 1.00 2.06 C ATOM 400 CD GLU A 29 120.070 -7.745 9.277 1.00 1.98 C ATOM 401 OE1 GLU A 29 120.946 -8.354 8.684 1.00 2.34 O ATOM 402 OE2 GLU A 29 120.274 -7.014 10.232 1.00 2.21 O ATOM 0 H GLU A 29 116.403 -6.176 8.165 1.00 1.73 H new ATOM 0 HA GLU A 29 119.253 -5.411 7.907 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.614 -7.783 6.880 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.357 -7.641 6.769 1.00 2.00 H new ATOM 0 HG2 GLU A 29 117.947 -7.383 9.462 1.00 2.06 H new ATOM 0 HG3 GLU A 29 118.344 -8.962 8.812 1.00 2.06 H new ATOM 409 N ARG A 30 117.234 -5.603 5.287 1.00 1.69 N ATOM 410 CA ARG A 30 117.087 -5.071 3.899 1.00 1.64 C ATOM 411 C ARG A 30 115.744 -5.517 3.316 1.00 1.59 C ATOM 412 O ARG A 30 114.952 -6.155 3.981 1.00 1.61 O ATOM 413 CB ARG A 30 118.222 -5.609 3.025 1.00 1.75 C ATOM 414 CG ARG A 30 118.352 -7.120 3.228 1.00 2.21 C ATOM 415 CD ARG A 30 119.448 -7.667 2.311 1.00 2.47 C ATOM 416 NE ARG A 30 119.727 -9.088 2.663 1.00 2.96 N ATOM 417 CZ ARG A 30 120.403 -9.843 1.841 1.00 3.36 C ATOM 418 NH1 ARG A 30 120.837 -9.353 0.712 1.00 3.77 N ATOM 419 NH2 ARG A 30 120.646 -11.088 2.148 1.00 3.76 N ATOM 0 H ARG A 30 116.487 -6.225 5.596 1.00 1.69 H new ATOM 0 HA ARG A 30 117.128 -3.982 3.924 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.023 -5.388 1.976 1.00 1.75 H new ATOM 0 HB3 ARG A 30 119.159 -5.115 3.283 1.00 1.75 H new ATOM 0 HG2 ARG A 30 118.592 -7.338 4.269 1.00 2.21 H new ATOM 0 HG3 ARG A 30 117.403 -7.610 3.010 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.135 -7.594 1.269 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.355 -7.071 2.414 1.00 2.47 H new ATOM 0 HE ARG A 30 119.390 -9.470 3.546 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.648 -8.380 0.472 1.00 3.77 H new ATOM 0 HH12 ARG A 30 121.365 -9.943 0.069 1.00 3.77 H new ATOM 0 HH21 ARG A 30 120.307 -11.471 3.031 1.00 3.76 H new ATOM 0 HH22 ARG A 30 121.174 -11.678 1.505 1.00 3.76 H new ATOM 433 N GLY A 31 115.479 -5.191 2.075 1.00 1.54 N ATOM 434 CA GLY A 31 114.189 -5.600 1.452 1.00 1.52 C ATOM 435 C GLY A 31 114.406 -5.808 -0.043 1.00 1.55 C ATOM 436 O GLY A 31 115.489 -5.597 -0.553 1.00 1.57 O ATOM 0 H GLY A 31 116.103 -4.659 1.469 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.823 -6.518 1.911 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.430 -4.836 1.620 1.00 1.52 H new ATOM 440 N VAL A 32 113.387 -6.222 -0.752 1.00 1.56 N ATOM 441 CA VAL A 32 113.526 -6.447 -2.224 1.00 1.60 C ATOM 442 C VAL A 32 112.323 -5.839 -2.959 1.00 1.53 C ATOM 443 O VAL A 32 111.221 -5.781 -2.443 1.00 1.50 O ATOM 444 CB VAL A 32 113.631 -7.957 -2.492 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.390 -8.258 -3.975 1.00 1.80 C ATOM 446 CG2 VAL A 32 115.027 -8.447 -2.097 1.00 1.83 C ATOM 0 H VAL A 32 112.460 -6.415 -0.373 1.00 1.56 H new ATOM 0 HA VAL A 32 114.428 -5.960 -2.594 1.00 1.60 H new ATOM 0 HB VAL A 32 112.873 -8.471 -1.901 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.468 -9.332 -4.146 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.394 -7.917 -4.258 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.136 -7.739 -4.577 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.104 -9.518 -2.286 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.778 -7.920 -2.686 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.195 -8.253 -1.038 1.00 1.83 H new ATOM 456 N ALA A 33 112.550 -5.371 -4.160 1.00 1.51 N ATOM 457 CA ALA A 33 111.459 -4.738 -4.965 1.00 1.46 C ATOM 458 C ALA A 33 110.111 -5.455 -4.777 1.00 1.53 C ATOM 459 O ALA A 33 109.883 -6.522 -5.311 1.00 1.64 O ATOM 460 CB ALA A 33 111.850 -4.782 -6.451 1.00 1.51 C ATOM 0 H ALA A 33 113.458 -5.401 -4.624 1.00 1.51 H new ATOM 0 HA ALA A 33 111.339 -3.710 -4.622 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.062 -4.323 -7.048 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.782 -4.236 -6.598 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.984 -5.818 -6.761 1.00 1.51 H new ATOM 466 N GLY A 34 109.203 -4.848 -4.061 1.00 1.46 N ATOM 467 CA GLY A 34 107.854 -5.454 -3.879 1.00 1.52 C ATOM 468 C GLY A 34 107.935 -6.795 -3.152 1.00 1.62 C ATOM 469 O GLY A 34 107.473 -7.799 -3.658 1.00 1.73 O ATOM 0 H GLY A 34 109.340 -3.953 -3.592 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.220 -4.770 -3.314 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.383 -5.594 -4.852 1.00 1.52 H new ATOM 473 N VAL A 35 108.496 -6.825 -1.963 1.00 1.59 N ATOM 474 CA VAL A 35 108.578 -8.113 -1.194 1.00 1.69 C ATOM 475 C VAL A 35 107.957 -7.906 0.212 1.00 1.61 C ATOM 476 O VAL A 35 108.346 -6.978 0.893 1.00 1.55 O ATOM 477 CB VAL A 35 110.060 -8.532 -1.052 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.745 -7.766 0.093 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.140 -10.034 -0.760 1.00 2.19 C ATOM 0 H VAL A 35 108.900 -6.015 -1.492 1.00 1.59 H new ATOM 0 HA VAL A 35 108.032 -8.894 -1.722 1.00 1.69 H new ATOM 0 HB VAL A 35 110.571 -8.298 -1.986 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.786 -8.081 0.170 1.00 2.04 H new ATOM 0 HG12 VAL A 35 110.703 -6.696 -0.109 1.00 2.04 H new ATOM 0 HG13 VAL A 35 110.232 -7.978 1.031 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.184 -10.330 -0.660 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.610 -10.253 0.167 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.683 -10.589 -1.579 1.00 2.19 H new ATOM 489 N PRO A 36 107.038 -8.760 0.646 1.00 1.67 N ATOM 490 CA PRO A 36 106.459 -8.602 1.992 1.00 1.61 C ATOM 491 C PRO A 36 107.581 -8.786 3.022 1.00 1.61 C ATOM 492 O PRO A 36 108.278 -9.781 3.007 1.00 1.74 O ATOM 493 CB PRO A 36 105.394 -9.718 2.109 1.00 1.76 C ATOM 494 CG PRO A 36 105.493 -10.590 0.824 1.00 1.96 C ATOM 495 CD PRO A 36 106.506 -9.909 -0.124 1.00 1.85 C ATOM 0 HA PRO A 36 106.010 -7.624 2.164 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.568 -10.324 2.998 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.397 -9.289 2.206 1.00 1.76 H new ATOM 0 HG2 PRO A 36 105.819 -11.601 1.071 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.518 -10.678 0.344 1.00 1.96 H new ATOM 0 HD2 PRO A 36 107.303 -10.596 -0.410 1.00 1.85 H new ATOM 0 HD3 PRO A 36 106.025 -9.579 -1.045 1.00 1.85 H new ATOM 503 N ALA A 37 107.772 -7.836 3.905 1.00 1.53 N ATOM 504 CA ALA A 37 108.865 -7.963 4.923 1.00 1.62 C ATOM 505 C ALA A 37 108.323 -7.577 6.295 1.00 1.53 C ATOM 506 O ALA A 37 107.304 -6.925 6.408 1.00 1.52 O ATOM 507 CB ALA A 37 110.018 -7.030 4.541 1.00 1.69 C ATOM 0 H ALA A 37 107.221 -6.980 3.966 1.00 1.53 H new ATOM 0 HA ALA A 37 109.225 -8.991 4.954 1.00 1.62 H new ATOM 0 HB1 ALA A 37 110.816 -7.118 5.278 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.399 -7.306 3.558 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.660 -6.001 4.515 1.00 1.69 H new ATOM 513 N GLU A 38 108.988 -7.978 7.344 1.00 1.50 N ATOM 514 CA GLU A 38 108.489 -7.630 8.700 1.00 1.45 C ATOM 515 C GLU A 38 109.589 -7.797 9.739 1.00 1.50 C ATOM 516 O GLU A 38 110.613 -8.412 9.504 1.00 1.60 O ATOM 517 CB GLU A 38 107.311 -8.551 9.064 1.00 1.54 C ATOM 518 CG GLU A 38 107.822 -9.949 9.444 1.00 1.68 C ATOM 519 CD GLU A 38 106.674 -10.959 9.362 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.448 -11.483 8.284 1.00 2.23 O ATOM 521 OE2 GLU A 38 106.042 -11.191 10.379 1.00 2.12 O ATOM 0 H GLU A 38 109.848 -8.527 7.320 1.00 1.50 H new ATOM 0 HA GLU A 38 108.165 -6.589 8.693 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.750 -8.123 9.895 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.624 -8.625 8.221 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.629 -10.246 8.774 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.234 -9.934 10.453 1.00 1.68 H new ATOM 528 N PHE A 39 109.349 -7.280 10.909 1.00 1.46 N ATOM 529 CA PHE A 39 110.323 -7.424 12.018 1.00 1.54 C ATOM 530 C PHE A 39 109.520 -7.640 13.292 1.00 1.53 C ATOM 531 O PHE A 39 108.304 -7.684 13.266 1.00 1.50 O ATOM 532 CB PHE A 39 111.224 -6.183 12.156 1.00 1.54 C ATOM 533 CG PHE A 39 110.452 -4.915 11.868 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.059 -4.630 10.562 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.153 -4.016 12.900 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.361 -3.450 10.278 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.458 -2.833 12.617 1.00 1.37 C ATOM 538 CZ PHE A 39 109.061 -2.551 11.306 1.00 1.30 C ATOM 0 H PHE A 39 108.506 -6.756 11.145 1.00 1.46 H new ATOM 0 HA PHE A 39 110.986 -8.266 11.820 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.637 -6.140 13.164 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.067 -6.263 11.469 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.294 -5.321 9.766 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.458 -4.235 13.913 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.054 -3.234 9.265 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.229 -2.138 13.412 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.523 -1.640 11.088 1.00 1.30 H new ATOM 548 N SER A 40 110.185 -7.791 14.396 1.00 1.60 N ATOM 549 CA SER A 40 109.472 -8.032 15.691 1.00 1.61 C ATOM 550 C SER A 40 109.878 -6.977 16.721 1.00 1.59 C ATOM 551 O SER A 40 111.034 -6.622 16.842 1.00 1.64 O ATOM 552 CB SER A 40 109.847 -9.417 16.219 1.00 1.73 C ATOM 553 OG SER A 40 109.757 -10.362 15.161 1.00 2.37 O ATOM 0 H SER A 40 111.202 -7.759 14.466 1.00 1.60 H new ATOM 0 HA SER A 40 108.397 -7.972 15.523 1.00 1.61 H new ATOM 0 HB2 SER A 40 110.859 -9.403 16.625 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.181 -9.701 17.034 1.00 1.73 H new ATOM 0 HG SER A 40 109.998 -11.251 15.495 1.00 2.37 H new ATOM 559 N ILE A 41 108.926 -6.478 17.469 1.00 1.54 N ATOM 560 CA ILE A 41 109.228 -5.446 18.510 1.00 1.54 C ATOM 561 C ILE A 41 108.460 -5.782 19.793 1.00 1.60 C ATOM 562 O ILE A 41 107.245 -5.819 19.800 1.00 1.65 O ATOM 563 CB ILE A 41 108.784 -4.068 17.998 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.731 -3.615 16.884 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.822 -3.047 19.142 1.00 1.50 C ATOM 566 CD1 ILE A 41 109.152 -2.383 16.183 1.00 1.34 C ATOM 0 H ILE A 41 107.943 -6.743 17.403 1.00 1.54 H new ATOM 0 HA ILE A 41 110.298 -5.434 18.717 1.00 1.54 H new ATOM 0 HB ILE A 41 107.766 -4.138 17.614 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.711 -3.382 17.299 1.00 1.47 H new ATOM 0 HG13 ILE A 41 109.873 -4.421 16.164 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.506 -2.072 18.770 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.150 -3.367 19.938 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.837 -2.975 19.532 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.829 -2.063 15.391 1.00 1.34 H new ATOM 0 HD12 ILE A 41 108.182 -2.631 15.753 1.00 1.34 H new ATOM 0 HD13 ILE A 41 109.033 -1.576 16.906 1.00 1.34 H new ATOM 578 N TRP A 42 109.161 -6.011 20.882 1.00 1.65 N ATOM 579 CA TRP A 42 108.477 -6.329 22.182 1.00 1.71 C ATOM 580 C TRP A 42 108.851 -5.259 23.215 1.00 1.77 C ATOM 581 O TRP A 42 109.990 -4.845 23.308 1.00 1.78 O ATOM 582 CB TRP A 42 108.899 -7.731 22.669 1.00 1.88 C ATOM 583 CG TRP A 42 110.234 -7.688 23.355 1.00 2.08 C ATOM 584 CD1 TRP A 42 111.388 -8.165 22.837 1.00 2.66 C ATOM 585 CD2 TRP A 42 110.565 -7.160 24.675 1.00 2.36 C ATOM 586 NE1 TRP A 42 112.407 -7.956 23.749 1.00 2.89 N ATOM 587 CE2 TRP A 42 111.951 -7.340 24.896 1.00 2.64 C ATOM 588 CE3 TRP A 42 109.807 -6.546 25.690 1.00 3.00 C ATOM 589 CZ2 TRP A 42 112.564 -6.924 26.079 1.00 3.08 C ATOM 590 CZ3 TRP A 42 110.421 -6.127 26.882 1.00 3.68 C ATOM 591 CH2 TRP A 42 111.797 -6.316 27.076 1.00 3.56 C ATOM 0 H TRP A 42 110.180 -5.991 20.927 1.00 1.65 H new ATOM 0 HA TRP A 42 107.396 -6.330 22.044 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.147 -8.122 23.354 1.00 1.88 H new ATOM 0 HB3 TRP A 42 108.944 -8.415 21.821 1.00 1.88 H new ATOM 0 HD1 TRP A 42 111.497 -8.633 21.870 1.00 2.66 H new ATOM 0 HE1 TRP A 42 113.378 -8.225 23.592 1.00 2.89 H new ATOM 0 HE3 TRP A 42 108.746 -6.396 25.551 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 113.624 -7.071 26.223 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 109.830 -5.656 27.654 1.00 3.68 H new ATOM 0 HH2 TRP A 42 112.263 -5.992 27.995 1.00 3.56 H new ATOM 602 N THR A 43 107.899 -4.801 23.985 1.00 1.91 N ATOM 603 CA THR A 43 108.197 -3.750 25.006 1.00 2.07 C ATOM 604 C THR A 43 107.268 -3.923 26.211 1.00 1.92 C ATOM 605 O THR A 43 106.087 -4.168 26.065 1.00 2.17 O ATOM 606 CB THR A 43 107.975 -2.360 24.387 1.00 2.42 C ATOM 607 OG1 THR A 43 107.522 -1.463 25.391 1.00 2.72 O ATOM 608 CG2 THR A 43 106.925 -2.445 23.277 1.00 2.89 C ATOM 0 H THR A 43 106.927 -5.109 23.952 1.00 1.91 H new ATOM 0 HA THR A 43 109.233 -3.846 25.331 1.00 2.07 H new ATOM 0 HB THR A 43 108.915 -2.002 23.968 1.00 2.42 H new ATOM 0 HG1 THR A 43 107.427 -0.565 25.009 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.773 -1.457 22.843 1.00 2.89 H new ATOM 0 HG22 THR A 43 107.268 -3.132 22.503 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.985 -2.807 23.693 1.00 2.89 H new ATOM 616 N ARG A 44 107.793 -3.788 27.402 1.00 1.96 N ATOM 617 CA ARG A 44 106.940 -3.937 28.616 1.00 1.92 C ATOM 618 C ARG A 44 107.738 -3.536 29.862 1.00 1.92 C ATOM 619 O ARG A 44 108.023 -4.354 30.715 1.00 2.18 O ATOM 620 CB ARG A 44 106.487 -5.396 28.751 1.00 2.09 C ATOM 621 CG ARG A 44 105.453 -5.514 29.876 1.00 2.62 C ATOM 622 CD ARG A 44 104.713 -6.849 29.758 1.00 3.00 C ATOM 623 NE ARG A 44 103.690 -6.947 30.836 1.00 3.63 N ATOM 624 CZ ARG A 44 102.739 -7.837 30.757 1.00 4.14 C ATOM 625 NH1 ARG A 44 102.679 -8.639 29.729 1.00 4.51 N ATOM 626 NH2 ARG A 44 101.846 -7.922 31.704 1.00 4.63 N ATOM 0 H ARG A 44 108.775 -3.581 27.585 1.00 1.96 H new ATOM 0 HA ARG A 44 106.067 -3.291 28.521 1.00 1.92 H new ATOM 0 HB2 ARG A 44 106.057 -5.742 27.811 1.00 2.09 H new ATOM 0 HB3 ARG A 44 107.344 -6.035 28.963 1.00 2.09 H new ATOM 0 HG2 ARG A 44 105.947 -5.445 30.845 1.00 2.62 H new ATOM 0 HG3 ARG A 44 104.744 -4.688 29.820 1.00 2.62 H new ATOM 0 HD2 ARG A 44 104.236 -6.927 28.781 1.00 3.00 H new ATOM 0 HD3 ARG A 44 105.419 -7.676 29.835 1.00 3.00 H new ATOM 0 HE ARG A 44 103.733 -6.317 31.637 1.00 3.63 H new ATOM 0 HH11 ARG A 44 103.376 -8.570 28.987 1.00 4.51 H new ATOM 0 HH12 ARG A 44 101.936 -9.335 29.668 1.00 4.51 H new ATOM 0 HH21 ARG A 44 101.891 -7.293 32.506 1.00 4.63 H new ATOM 0 HH22 ARG A 44 101.102 -8.617 31.643 1.00 4.63 H new ATOM 640 N GLU A 45 108.094 -2.284 29.982 1.00 1.87 N ATOM 641 CA GLU A 45 108.864 -1.840 31.182 1.00 1.94 C ATOM 642 C GLU A 45 108.683 -0.330 31.374 1.00 1.84 C ATOM 643 O GLU A 45 108.294 0.126 32.431 1.00 1.87 O ATOM 644 CB GLU A 45 110.355 -2.168 30.995 1.00 2.09 C ATOM 645 CG GLU A 45 111.046 -2.237 32.360 1.00 2.37 C ATOM 646 CD GLU A 45 110.611 -3.510 33.089 1.00 2.40 C ATOM 647 OE1 GLU A 45 110.997 -4.581 32.651 1.00 2.89 O ATOM 648 OE2 GLU A 45 109.899 -3.392 34.072 1.00 2.73 O ATOM 0 H GLU A 45 107.886 -1.551 29.303 1.00 1.87 H new ATOM 0 HA GLU A 45 108.494 -2.363 32.064 1.00 1.94 H new ATOM 0 HB2 GLU A 45 110.465 -3.119 30.473 1.00 2.09 H new ATOM 0 HB3 GLU A 45 110.829 -1.407 30.375 1.00 2.09 H new ATOM 0 HG2 GLU A 45 112.128 -2.230 32.232 1.00 2.37 H new ATOM 0 HG3 GLU A 45 110.790 -1.360 32.954 1.00 2.37 H new ATOM 655 N ALA A 46 108.956 0.448 30.361 1.00 1.74 N ATOM 656 CA ALA A 46 108.791 1.923 30.496 1.00 1.71 C ATOM 657 C ALA A 46 107.343 2.233 30.868 1.00 1.64 C ATOM 658 O ALA A 46 107.065 2.834 31.887 1.00 1.71 O ATOM 659 CB ALA A 46 109.123 2.605 29.167 1.00 1.66 C ATOM 0 H ALA A 46 109.285 0.127 29.450 1.00 1.74 H new ATOM 0 HA ALA A 46 109.463 2.292 31.271 1.00 1.71 H new ATOM 0 HB1 ALA A 46 109.001 3.683 29.271 1.00 1.66 H new ATOM 0 HB2 ALA A 46 110.153 2.381 28.891 1.00 1.66 H new ATOM 0 HB3 ALA A 46 108.451 2.237 28.391 1.00 1.66 H new ATOM 665 N GLY A 47 106.418 1.825 30.040 1.00 1.60 N ATOM 666 CA GLY A 47 104.974 2.084 30.320 1.00 1.58 C ATOM 667 C GLY A 47 104.282 2.493 29.019 1.00 1.42 C ATOM 668 O GLY A 47 104.913 2.627 27.990 1.00 1.37 O ATOM 0 H GLY A 47 106.602 1.319 29.174 1.00 1.60 H new ATOM 0 HA2 GLY A 47 104.504 1.191 30.732 1.00 1.58 H new ATOM 0 HA3 GLY A 47 104.870 2.872 31.066 1.00 1.58 H new ATOM 672 N ALA A 48 102.993 2.694 29.050 1.00 1.40 N ATOM 673 CA ALA A 48 102.273 3.096 27.807 1.00 1.27 C ATOM 674 C ALA A 48 102.950 4.329 27.204 1.00 1.21 C ATOM 675 O ALA A 48 103.719 5.006 27.857 1.00 1.37 O ATOM 676 CB ALA A 48 100.818 3.426 28.143 1.00 1.32 C ATOM 0 H ALA A 48 102.408 2.598 29.880 1.00 1.40 H new ATOM 0 HA ALA A 48 102.302 2.277 27.089 1.00 1.27 H new ATOM 0 HB1 ALA A 48 100.292 3.720 27.234 1.00 1.32 H new ATOM 0 HB2 ALA A 48 100.336 2.548 28.574 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.787 4.246 28.861 1.00 1.32 H new ATOM 682 N GLY A 49 102.675 4.626 25.962 1.00 1.04 N ATOM 683 CA GLY A 49 103.310 5.816 25.326 1.00 1.02 C ATOM 684 C GLY A 49 102.835 5.947 23.878 1.00 0.87 C ATOM 685 O GLY A 49 101.725 5.584 23.543 1.00 0.71 O ATOM 0 H GLY A 49 102.041 4.098 25.363 1.00 1.04 H new ATOM 0 HA2 GLY A 49 103.056 6.717 25.884 1.00 1.02 H new ATOM 0 HA3 GLY A 49 104.395 5.719 25.355 1.00 1.02 H new ATOM 689 N GLY A 50 103.669 6.468 23.014 1.00 0.98 N ATOM 690 CA GLY A 50 103.271 6.630 21.582 1.00 0.86 C ATOM 691 C GLY A 50 104.482 6.381 20.681 1.00 0.86 C ATOM 692 O GLY A 50 105.528 6.977 20.848 1.00 1.06 O ATOM 0 H GLY A 50 104.611 6.789 23.239 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.472 5.931 21.335 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.880 7.634 21.414 1.00 0.86 H new ATOM 696 N LEU A 51 104.344 5.502 19.722 1.00 0.74 N ATOM 697 CA LEU A 51 105.476 5.197 18.792 1.00 0.75 C ATOM 698 C LEU A 51 105.228 5.897 17.461 1.00 0.68 C ATOM 699 O LEU A 51 104.453 5.435 16.659 1.00 0.60 O ATOM 700 CB LEU A 51 105.536 3.678 18.568 1.00 0.74 C ATOM 701 CG LEU A 51 106.786 3.297 17.745 1.00 0.81 C ATOM 702 CD1 LEU A 51 108.008 3.170 18.662 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.549 1.951 17.048 1.00 0.77 C ATOM 0 H LEU A 51 103.488 4.977 19.541 1.00 0.74 H new ATOM 0 HA LEU A 51 106.417 5.545 19.217 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.557 3.164 19.529 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.637 3.346 18.048 1.00 0.74 H new ATOM 0 HG LEU A 51 106.968 4.077 17.005 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.882 2.901 18.069 1.00 1.10 H new ATOM 0 HD12 LEU A 51 108.188 4.122 19.162 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.824 2.397 19.408 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.431 1.682 16.467 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.359 1.182 17.797 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.688 2.032 16.384 1.00 0.77 H new ATOM 715 N SER A 52 105.896 6.999 17.223 1.00 0.75 N ATOM 716 CA SER A 52 105.719 7.734 15.934 1.00 0.71 C ATOM 717 C SER A 52 106.665 7.123 14.902 1.00 0.70 C ATOM 718 O SER A 52 107.770 6.754 15.241 1.00 0.78 O ATOM 719 CB SER A 52 106.075 9.208 16.137 1.00 0.82 C ATOM 720 OG SER A 52 106.402 9.788 14.882 1.00 1.56 O ATOM 0 H SER A 52 106.560 7.423 17.871 1.00 0.75 H new ATOM 0 HA SER A 52 104.686 7.658 15.594 1.00 0.71 H new ATOM 0 HB2 SER A 52 105.236 9.738 16.588 1.00 0.82 H new ATOM 0 HB3 SER A 52 106.917 9.300 16.824 1.00 0.82 H new ATOM 0 HG SER A 52 106.629 10.733 15.008 1.00 1.56 H new ATOM 726 N ILE A 53 106.258 6.999 13.650 1.00 0.61 N ATOM 727 CA ILE A 53 107.169 6.396 12.624 1.00 0.61 C ATOM 728 C ILE A 53 107.168 7.254 11.359 1.00 0.57 C ATOM 729 O ILE A 53 106.147 7.447 10.729 1.00 0.65 O ATOM 730 CB ILE A 53 106.681 4.990 12.268 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.709 4.105 13.517 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.591 4.390 11.194 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.964 2.799 13.236 1.00 0.64 C ATOM 0 H ILE A 53 105.343 7.288 13.303 1.00 0.61 H new ATOM 0 HA ILE A 53 108.178 6.347 13.033 1.00 0.61 H new ATOM 0 HB ILE A 53 105.661 5.046 11.889 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.740 3.894 13.802 1.00 0.64 H new ATOM 0 HG13 ILE A 53 106.247 4.626 14.355 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.243 3.389 10.941 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.567 5.019 10.304 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.612 4.335 11.572 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.985 2.170 14.126 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.930 3.020 12.971 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.446 2.276 12.410 1.00 0.64 H new ATOM 745 N ALA A 54 108.314 7.761 10.977 1.00 0.60 N ATOM 746 CA ALA A 54 108.411 8.602 9.743 1.00 0.57 C ATOM 747 C ALA A 54 109.163 7.815 8.669 1.00 0.54 C ATOM 748 O ALA A 54 110.363 7.635 8.747 1.00 0.63 O ATOM 749 CB ALA A 54 109.176 9.890 10.064 1.00 0.69 C ATOM 0 H ALA A 54 109.195 7.627 11.472 1.00 0.60 H new ATOM 0 HA ALA A 54 107.413 8.856 9.386 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.248 10.504 9.166 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.648 10.443 10.841 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.178 9.641 10.414 1.00 0.69 H new ATOM 755 N VAL A 55 108.469 7.339 7.667 1.00 0.45 N ATOM 756 CA VAL A 55 109.139 6.557 6.583 1.00 0.47 C ATOM 757 C VAL A 55 109.419 7.480 5.394 1.00 0.41 C ATOM 758 O VAL A 55 108.634 8.347 5.065 1.00 0.39 O ATOM 759 CB VAL A 55 108.224 5.394 6.137 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.560 4.121 6.925 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.758 5.762 6.389 1.00 0.79 C ATOM 0 H VAL A 55 107.463 7.459 7.552 1.00 0.45 H new ATOM 0 HA VAL A 55 110.078 6.148 6.956 1.00 0.47 H new ATOM 0 HB VAL A 55 108.384 5.215 5.074 1.00 0.47 H new ATOM 0 HG11 VAL A 55 107.908 3.310 6.601 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.599 3.845 6.745 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.412 4.302 7.990 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.117 4.939 6.073 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.608 5.951 7.452 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.505 6.658 5.822 1.00 0.79 H new ATOM 771 N GLU A 56 110.532 7.284 4.742 1.00 0.44 N ATOM 772 CA GLU A 56 110.882 8.125 3.561 1.00 0.40 C ATOM 773 C GLU A 56 111.546 7.218 2.517 1.00 0.43 C ATOM 774 O GLU A 56 112.280 6.309 2.850 1.00 0.52 O ATOM 775 CB GLU A 56 111.827 9.256 4.008 1.00 0.47 C ATOM 776 CG GLU A 56 112.620 9.805 2.814 1.00 0.49 C ATOM 777 CD GLU A 56 113.238 11.155 3.182 1.00 1.08 C ATOM 778 OE1 GLU A 56 114.011 11.193 4.126 1.00 1.71 O ATOM 779 OE2 GLU A 56 112.929 12.128 2.514 1.00 1.80 O ATOM 0 H GLU A 56 111.221 6.570 4.979 1.00 0.44 H new ATOM 0 HA GLU A 56 109.996 8.584 3.123 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.250 10.058 4.467 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.515 8.883 4.767 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.403 9.101 2.530 1.00 0.49 H new ATOM 0 HG3 GLU A 56 111.964 9.918 1.951 1.00 0.49 H new ATOM 786 N GLY A 57 111.285 7.444 1.259 1.00 0.41 N ATOM 787 CA GLY A 57 111.892 6.580 0.209 1.00 0.49 C ATOM 788 C GLY A 57 111.174 6.816 -1.127 1.00 0.45 C ATOM 789 O GLY A 57 110.365 7.714 -1.232 1.00 0.44 O ATOM 0 H GLY A 57 110.679 8.188 0.914 1.00 0.41 H new ATOM 0 HA2 GLY A 57 112.954 6.804 0.108 1.00 0.49 H new ATOM 0 HA3 GLY A 57 111.814 5.531 0.496 1.00 0.49 H new ATOM 793 N PRO A 58 111.504 6.016 -2.121 1.00 0.50 N ATOM 794 CA PRO A 58 110.901 6.146 -3.464 1.00 0.52 C ATOM 795 C PRO A 58 109.396 5.863 -3.431 1.00 0.54 C ATOM 796 O PRO A 58 108.644 6.403 -4.218 1.00 0.56 O ATOM 797 CB PRO A 58 111.639 5.107 -4.333 1.00 0.63 C ATOM 798 CG PRO A 58 112.690 4.398 -3.429 1.00 0.66 C ATOM 799 CD PRO A 58 112.504 4.935 -1.993 1.00 0.60 C ATOM 0 HA PRO A 58 111.004 7.158 -3.856 1.00 0.52 H new ATOM 0 HB2 PRO A 58 110.936 4.382 -4.743 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.126 5.592 -5.179 1.00 0.63 H new ATOM 0 HG2 PRO A 58 112.552 3.317 -3.455 1.00 0.66 H new ATOM 0 HG3 PRO A 58 113.700 4.599 -3.786 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.156 4.152 -1.320 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.443 5.311 -1.586 1.00 0.60 H new ATOM 807 N SER A 59 108.948 5.024 -2.540 1.00 0.56 N ATOM 808 CA SER A 59 107.485 4.713 -2.473 1.00 0.60 C ATOM 809 C SER A 59 107.050 4.581 -1.016 1.00 0.55 C ATOM 810 O SER A 59 107.827 4.227 -0.155 1.00 0.55 O ATOM 811 CB SER A 59 107.219 3.401 -3.204 1.00 0.71 C ATOM 812 OG SER A 59 107.900 3.419 -4.452 1.00 1.55 O ATOM 0 H SER A 59 109.527 4.539 -1.855 1.00 0.56 H new ATOM 0 HA SER A 59 106.921 5.519 -2.942 1.00 0.60 H new ATOM 0 HB2 SER A 59 107.560 2.559 -2.602 1.00 0.71 H new ATOM 0 HB3 SER A 59 106.149 3.268 -3.361 1.00 0.71 H new ATOM 0 HG SER A 59 107.283 3.152 -5.165 1.00 1.55 H new ATOM 818 N LYS A 60 105.808 4.862 -0.733 1.00 0.59 N ATOM 819 CA LYS A 60 105.325 4.748 0.669 1.00 0.57 C ATOM 820 C LYS A 60 105.161 3.269 1.021 1.00 0.63 C ATOM 821 O LYS A 60 104.263 2.600 0.551 1.00 0.73 O ATOM 822 CB LYS A 60 103.985 5.485 0.821 1.00 0.63 C ATOM 823 CG LYS A 60 102.961 4.962 -0.201 1.00 1.23 C ATOM 824 CD LYS A 60 101.869 6.014 -0.425 1.00 1.29 C ATOM 825 CE LYS A 60 101.101 6.237 0.880 1.00 1.87 C ATOM 826 NZ LYS A 60 99.842 6.980 0.593 1.00 2.53 N ATOM 0 H LYS A 60 105.109 5.165 -1.411 1.00 0.59 H new ATOM 0 HA LYS A 60 106.048 5.202 1.347 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.601 5.348 1.832 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.134 6.555 0.679 1.00 0.63 H new ATOM 0 HG2 LYS A 60 103.458 4.734 -1.144 1.00 1.23 H new ATOM 0 HG3 LYS A 60 102.517 4.034 0.158 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.314 6.950 -0.762 1.00 1.29 H new ATOM 0 HD3 LYS A 60 101.187 5.685 -1.209 1.00 1.29 H new ATOM 0 HE2 LYS A 60 100.872 5.280 1.348 1.00 1.87 H new ATOM 0 HE3 LYS A 60 101.715 6.798 1.585 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 99.319 7.132 1.479 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 100.071 7.899 0.164 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 99.255 6.428 -0.065 1.00 2.53 H new ATOM 840 N ALA A 61 106.031 2.746 1.838 1.00 0.66 N ATOM 841 CA ALA A 61 105.926 1.309 2.209 1.00 0.76 C ATOM 842 C ALA A 61 104.741 1.114 3.154 1.00 0.77 C ATOM 843 O ALA A 61 104.535 1.887 4.069 1.00 0.78 O ATOM 844 CB ALA A 61 107.214 0.864 2.904 1.00 0.82 C ATOM 0 H ALA A 61 106.809 3.250 2.264 1.00 0.66 H new ATOM 0 HA ALA A 61 105.776 0.711 1.310 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.136 -0.189 3.175 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.058 1.003 2.229 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.367 1.460 3.804 1.00 0.82 H new ATOM 850 N GLU A 62 103.957 0.091 2.946 1.00 0.88 N ATOM 851 CA GLU A 62 102.792 -0.130 3.846 1.00 0.93 C ATOM 852 C GLU A 62 103.291 -0.606 5.206 1.00 0.96 C ATOM 853 O GLU A 62 104.455 -0.863 5.388 1.00 1.43 O ATOM 854 CB GLU A 62 101.844 -1.173 3.246 1.00 1.11 C ATOM 855 CG GLU A 62 101.468 -0.763 1.819 1.00 1.50 C ATOM 856 CD GLU A 62 100.710 -1.904 1.139 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.953 -2.575 1.821 1.00 2.30 O ATOM 858 OE2 GLU A 62 100.900 -2.088 -0.052 1.00 2.14 O ATOM 0 H GLU A 62 104.072 -0.594 2.199 1.00 0.88 H new ATOM 0 HA GLU A 62 102.247 0.807 3.962 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.322 -2.153 3.240 1.00 1.11 H new ATOM 0 HB3 GLU A 62 100.947 -1.259 3.859 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.851 0.136 1.839 1.00 1.50 H new ATOM 0 HG3 GLU A 62 102.366 -0.521 1.251 1.00 1.50 H new ATOM 865 N ILE A 63 102.411 -0.722 6.162 1.00 0.97 N ATOM 866 CA ILE A 63 102.808 -1.178 7.528 1.00 0.94 C ATOM 867 C ILE A 63 101.685 -2.070 8.069 1.00 1.01 C ATOM 868 O ILE A 63 100.541 -1.926 7.686 1.00 1.06 O ATOM 869 CB ILE A 63 103.005 0.048 8.438 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.349 0.709 8.109 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.007 -0.380 9.910 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.427 2.080 8.782 1.00 1.40 C ATOM 0 H ILE A 63 101.418 -0.517 6.054 1.00 0.97 H new ATOM 0 HA ILE A 63 103.743 -1.737 7.496 1.00 0.94 H new ATOM 0 HB ILE A 63 102.188 0.750 8.270 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.169 0.078 8.451 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.458 0.816 7.030 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.147 0.496 10.543 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.056 -0.855 10.152 1.00 1.28 H new ATOM 0 HG23 ILE A 63 103.819 -1.086 10.082 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.383 2.547 8.546 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.616 2.711 8.418 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.338 1.961 9.862 1.00 1.40 H new ATOM 884 N ALA A 64 101.985 -2.999 8.945 1.00 1.04 N ATOM 885 CA ALA A 64 100.904 -3.884 9.472 1.00 1.13 C ATOM 886 C ALA A 64 101.235 -4.331 10.897 1.00 1.14 C ATOM 887 O ALA A 64 102.183 -5.055 11.122 1.00 1.36 O ATOM 888 CB ALA A 64 100.768 -5.112 8.569 1.00 1.26 C ATOM 0 H ALA A 64 102.919 -3.180 9.313 1.00 1.04 H new ATOM 0 HA ALA A 64 99.965 -3.330 9.485 1.00 1.13 H new ATOM 0 HB1 ALA A 64 99.979 -5.760 8.952 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.517 -4.794 7.557 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.711 -5.659 8.554 1.00 1.26 H new ATOM 894 N PHE A 65 100.453 -3.920 11.859 1.00 1.16 N ATOM 895 CA PHE A 65 100.717 -4.334 13.268 1.00 1.16 C ATOM 896 C PHE A 65 100.034 -5.677 13.533 1.00 1.28 C ATOM 897 O PHE A 65 98.863 -5.851 13.260 1.00 1.35 O ATOM 898 CB PHE A 65 100.151 -3.280 14.223 1.00 1.11 C ATOM 899 CG PHE A 65 98.652 -3.207 14.061 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.096 -2.441 13.030 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.818 -3.908 14.941 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.706 -2.375 12.878 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.428 -3.841 14.790 1.00 1.43 C ATOM 904 CZ PHE A 65 95.872 -3.075 13.758 1.00 1.47 C ATOM 0 H PHE A 65 99.642 -3.315 11.730 1.00 1.16 H new ATOM 0 HA PHE A 65 101.791 -4.429 13.427 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.404 -3.533 15.252 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.598 -2.308 14.015 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.740 -1.901 12.352 1.00 1.23 H new ATOM 0 HD2 PHE A 65 98.247 -4.500 15.736 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.277 -1.784 12.082 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.784 -4.380 15.469 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.800 -3.024 13.641 1.00 1.47 H new ATOM 914 N GLU A 66 100.758 -6.633 14.059 1.00 1.35 N ATOM 915 CA GLU A 66 100.154 -7.973 14.339 1.00 1.50 C ATOM 916 C GLU A 66 100.700 -8.516 15.661 1.00 1.54 C ATOM 917 O GLU A 66 101.894 -8.647 15.845 1.00 1.61 O ATOM 918 CB GLU A 66 100.516 -8.939 13.208 1.00 1.62 C ATOM 919 CG GLU A 66 99.748 -10.250 13.392 1.00 1.80 C ATOM 920 CD GLU A 66 100.161 -11.241 12.302 1.00 1.94 C ATOM 921 OE1 GLU A 66 100.387 -10.803 11.186 1.00 2.01 O ATOM 922 OE2 GLU A 66 100.245 -12.420 12.602 1.00 2.51 O ATOM 0 H GLU A 66 101.743 -6.544 14.307 1.00 1.35 H new ATOM 0 HA GLU A 66 99.071 -7.875 14.406 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.272 -8.494 12.243 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.589 -9.130 13.208 1.00 1.62 H new ATOM 0 HG2 GLU A 66 99.954 -10.669 14.377 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.675 -10.065 13.343 1.00 1.80 H new ATOM 1006 N SER A 72 104.654 -9.389 22.057 1.00 1.78 N ATOM 1007 CA SER A 72 105.604 -9.071 20.947 1.00 1.72 C ATOM 1008 C SER A 72 104.856 -8.340 19.829 1.00 1.60 C ATOM 1009 O SER A 72 103.970 -8.886 19.203 1.00 1.64 O ATOM 1010 CB SER A 72 106.191 -10.371 20.396 1.00 1.82 C ATOM 1011 OG SER A 72 105.159 -11.127 19.777 1.00 2.20 O ATOM 0 HA SER A 72 106.406 -8.437 21.324 1.00 1.72 H new ATOM 0 HB2 SER A 72 106.979 -10.151 19.675 1.00 1.82 H new ATOM 0 HB3 SER A 72 106.647 -10.947 21.201 1.00 1.82 H new ATOM 0 HG SER A 72 104.406 -10.538 19.562 1.00 2.20 H new ATOM 1017 N CYS A 73 105.206 -7.107 19.573 1.00 1.50 N ATOM 1018 CA CYS A 73 104.515 -6.340 18.496 1.00 1.40 C ATOM 1019 C CYS A 73 105.173 -6.641 17.147 1.00 1.37 C ATOM 1020 O CYS A 73 106.334 -6.352 16.931 1.00 1.39 O ATOM 1021 CB CYS A 73 104.619 -4.842 18.790 1.00 1.31 C ATOM 1022 SG CYS A 73 104.100 -4.526 20.495 1.00 2.05 S ATOM 0 H CYS A 73 105.941 -6.598 20.064 1.00 1.50 H new ATOM 0 HA CYS A 73 103.466 -6.633 18.460 1.00 1.40 H new ATOM 0 HB2 CYS A 73 105.644 -4.501 18.641 1.00 1.31 H new ATOM 0 HB3 CYS A 73 103.992 -4.280 18.097 1.00 1.31 H new ATOM 0 HG CYS A 73 104.190 -3.254 20.747 1.00 2.05 H new ATOM 1028 N GLY A 74 104.435 -7.219 16.235 1.00 1.39 N ATOM 1029 CA GLY A 74 104.998 -7.546 14.888 1.00 1.38 C ATOM 1030 C GLY A 74 104.562 -6.477 13.885 1.00 1.28 C ATOM 1031 O GLY A 74 103.386 -6.270 13.658 1.00 1.26 O ATOM 0 H GLY A 74 103.458 -7.481 16.366 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.086 -7.593 14.937 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.651 -8.527 14.565 1.00 1.38 H new ATOM 1035 N VAL A 75 105.505 -5.794 13.287 1.00 1.25 N ATOM 1036 CA VAL A 75 105.163 -4.722 12.292 1.00 1.16 C ATOM 1037 C VAL A 75 105.549 -5.179 10.884 1.00 1.20 C ATOM 1038 O VAL A 75 106.704 -5.162 10.508 1.00 1.25 O ATOM 1039 CB VAL A 75 105.939 -3.453 12.643 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.432 -2.288 11.792 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.735 -3.126 14.124 1.00 1.57 C ATOM 0 H VAL A 75 106.504 -5.931 13.443 1.00 1.25 H new ATOM 0 HA VAL A 75 104.091 -4.524 12.323 1.00 1.16 H new ATOM 0 HB VAL A 75 106.999 -3.611 12.445 1.00 1.11 H new ATOM 0 HG11 VAL A 75 105.987 -1.384 12.044 1.00 1.31 H new ATOM 0 HG12 VAL A 75 105.575 -2.519 10.736 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.372 -2.129 11.988 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.288 -2.221 14.376 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.674 -2.969 14.319 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.098 -3.954 14.733 1.00 1.57 H new ATOM 1051 N SER A 76 104.583 -5.584 10.098 1.00 1.22 N ATOM 1052 CA SER A 76 104.880 -6.039 8.706 1.00 1.29 C ATOM 1053 C SER A 76 104.758 -4.843 7.758 1.00 1.19 C ATOM 1054 O SER A 76 103.912 -3.997 7.929 1.00 1.20 O ATOM 1055 CB SER A 76 103.879 -7.142 8.305 1.00 1.40 C ATOM 1056 OG SER A 76 103.067 -6.694 7.224 1.00 1.85 O ATOM 0 H SER A 76 103.598 -5.619 10.362 1.00 1.22 H new ATOM 0 HA SER A 76 105.891 -6.443 8.649 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.417 -8.045 8.017 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.252 -7.403 9.158 1.00 1.40 H new ATOM 0 HG SER A 76 102.435 -7.401 6.975 1.00 1.85 H new ATOM 1062 N TYR A 77 105.604 -4.766 6.764 1.00 1.21 N ATOM 1063 CA TYR A 77 105.549 -3.616 5.807 1.00 1.12 C ATOM 1064 C TYR A 77 105.866 -4.119 4.398 1.00 1.20 C ATOM 1065 O TYR A 77 106.260 -5.255 4.218 1.00 1.43 O ATOM 1066 CB TYR A 77 106.604 -2.576 6.218 1.00 1.07 C ATOM 1067 CG TYR A 77 107.988 -3.166 6.061 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.422 -4.172 6.930 1.00 1.33 C ATOM 1069 CD2 TYR A 77 108.838 -2.706 5.045 1.00 1.18 C ATOM 1070 CE1 TYR A 77 109.700 -4.719 6.784 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.117 -3.254 4.899 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.548 -4.261 5.769 1.00 1.39 C ATOM 1073 OH TYR A 77 111.810 -4.801 5.626 1.00 1.54 O ATOM 0 H TYR A 77 106.334 -5.452 6.571 1.00 1.21 H new ATOM 0 HA TYR A 77 104.556 -3.167 5.823 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.507 -1.682 5.602 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.444 -2.270 7.252 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.769 -4.526 7.714 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.505 -1.928 4.374 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.034 -5.496 7.455 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.771 -2.900 4.116 1.00 1.28 H new ATOM 0 HH TYR A 77 112.266 -4.371 4.873 1.00 1.54 H new ATOM 1083 N VAL A 78 105.709 -3.288 3.393 1.00 1.13 N ATOM 1084 CA VAL A 78 106.021 -3.744 1.995 1.00 1.21 C ATOM 1085 C VAL A 78 106.674 -2.606 1.197 1.00 1.14 C ATOM 1086 O VAL A 78 106.095 -1.558 1.000 1.00 1.11 O ATOM 1087 CB VAL A 78 104.727 -4.205 1.300 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.899 -2.996 0.845 1.00 1.81 C ATOM 1089 CG2 VAL A 78 105.081 -5.068 0.083 1.00 1.90 C ATOM 0 H VAL A 78 105.383 -2.325 3.476 1.00 1.13 H new ATOM 0 HA VAL A 78 106.720 -4.579 2.041 1.00 1.21 H new ATOM 0 HB VAL A 78 104.137 -4.787 2.008 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.988 -3.342 0.356 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.637 -2.388 1.711 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.482 -2.398 0.145 1.00 1.81 H new ATOM 0 HG21 VAL A 78 104.165 -5.395 -0.410 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.680 -4.484 -0.615 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.649 -5.940 0.408 1.00 1.90 H new ATOM 1099 N VAL A 79 107.875 -2.818 0.725 1.00 1.17 N ATOM 1100 CA VAL A 79 108.571 -1.766 -0.076 1.00 1.11 C ATOM 1101 C VAL A 79 108.170 -1.922 -1.542 1.00 1.15 C ATOM 1102 O VAL A 79 107.806 -2.995 -1.972 1.00 1.24 O ATOM 1103 CB VAL A 79 110.084 -1.942 0.066 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.522 -1.514 1.480 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.442 -3.415 -0.163 1.00 1.27 C ATOM 0 H VAL A 79 108.406 -3.678 0.860 1.00 1.17 H new ATOM 0 HA VAL A 79 108.290 -0.775 0.280 1.00 1.11 H new ATOM 0 HB VAL A 79 110.597 -1.323 -0.670 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.600 -1.640 1.581 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.262 -0.468 1.640 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.014 -2.132 2.221 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.519 -3.547 -0.063 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.931 -4.033 0.575 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.131 -3.714 -1.164 1.00 1.27 H new ATOM 1115 N GLN A 80 108.218 -0.867 -2.315 1.00 1.10 N ATOM 1116 CA GLN A 80 107.816 -0.972 -3.751 1.00 1.15 C ATOM 1117 C GLN A 80 109.045 -1.169 -4.643 1.00 1.17 C ATOM 1118 O GLN A 80 109.045 -2.009 -5.521 1.00 1.25 O ATOM 1119 CB GLN A 80 107.085 0.311 -4.170 1.00 1.11 C ATOM 1120 CG GLN A 80 106.237 0.043 -5.419 1.00 1.18 C ATOM 1121 CD GLN A 80 105.645 1.357 -5.932 1.00 1.80 C ATOM 1122 OE1 GLN A 80 106.251 2.401 -5.801 1.00 2.47 O ATOM 1123 NE2 GLN A 80 104.477 1.350 -6.514 1.00 2.48 N ATOM 0 H GLN A 80 108.517 0.061 -2.015 1.00 1.10 H new ATOM 0 HA GLN A 80 107.157 -1.833 -3.867 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.450 0.660 -3.356 1.00 1.11 H new ATOM 0 HB3 GLN A 80 107.807 1.102 -4.373 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.849 -0.418 -6.194 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.438 -0.660 -5.184 1.00 1.18 H new ATOM 0 HE21 GLN A 80 103.967 0.473 -6.624 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.074 2.221 -6.859 1.00 2.48 H new ATOM 1132 N GLU A 81 110.089 -0.394 -4.458 1.00 1.11 N ATOM 1133 CA GLU A 81 111.290 -0.554 -5.345 1.00 1.13 C ATOM 1134 C GLU A 81 112.583 -0.123 -4.613 1.00 1.07 C ATOM 1135 O GLU A 81 112.540 0.753 -3.772 1.00 0.98 O ATOM 1136 CB GLU A 81 111.121 0.340 -6.589 1.00 1.11 C ATOM 1137 CG GLU A 81 109.983 -0.161 -7.489 1.00 1.43 C ATOM 1138 CD GLU A 81 110.242 -1.606 -7.925 1.00 1.37 C ATOM 1139 OE1 GLU A 81 111.367 -1.899 -8.298 1.00 1.65 O ATOM 1140 OE2 GLU A 81 109.312 -2.395 -7.879 1.00 1.92 O ATOM 0 H GLU A 81 110.163 0.331 -3.744 1.00 1.11 H new ATOM 0 HA GLU A 81 111.370 -1.605 -5.624 1.00 1.13 H new ATOM 0 HB2 GLU A 81 110.916 1.364 -6.278 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.053 0.359 -7.155 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.035 -0.100 -6.955 1.00 1.43 H new ATOM 0 HG3 GLU A 81 109.896 0.480 -8.366 1.00 1.43 H new ATOM 1147 N PRO A 82 113.711 -0.730 -4.974 1.00 1.14 N ATOM 1148 CA PRO A 82 115.020 -0.396 -4.387 1.00 1.14 C ATOM 1149 C PRO A 82 115.190 1.088 -4.116 1.00 1.00 C ATOM 1150 O PRO A 82 114.458 1.926 -4.603 1.00 0.91 O ATOM 1151 CB PRO A 82 116.028 -0.889 -5.428 1.00 1.23 C ATOM 1152 CG PRO A 82 115.315 -2.026 -6.180 1.00 1.30 C ATOM 1153 CD PRO A 82 113.799 -1.810 -5.984 1.00 1.26 C ATOM 0 HA PRO A 82 115.148 -0.861 -3.410 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.314 -0.087 -6.108 1.00 1.23 H new ATOM 0 HB3 PRO A 82 116.942 -1.245 -4.952 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.574 -2.011 -7.239 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.620 -2.997 -5.791 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.314 -1.523 -6.917 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.309 -2.720 -5.637 1.00 1.26 H new ATOM 1161 N GLY A 83 116.176 1.397 -3.328 1.00 0.99 N ATOM 1162 CA GLY A 83 116.459 2.818 -2.978 1.00 0.89 C ATOM 1163 C GLY A 83 116.943 2.890 -1.532 1.00 0.92 C ATOM 1164 O GLY A 83 117.317 1.895 -0.943 1.00 1.02 O ATOM 0 H GLY A 83 116.808 0.718 -2.904 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.215 3.227 -3.648 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.561 3.422 -3.104 1.00 0.89 H new ATOM 1168 N ASP A 84 116.929 4.063 -0.956 1.00 0.87 N ATOM 1169 CA ASP A 84 117.377 4.229 0.459 1.00 0.93 C ATOM 1170 C ASP A 84 116.158 4.517 1.330 1.00 0.83 C ATOM 1171 O ASP A 84 115.770 5.653 1.513 1.00 0.76 O ATOM 1172 CB ASP A 84 118.353 5.405 0.546 1.00 0.98 C ATOM 1173 CG ASP A 84 119.420 5.265 -0.541 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.130 4.273 -0.523 1.00 2.06 O ATOM 1175 OD2 ASP A 84 119.510 6.152 -1.373 1.00 2.13 O ATOM 0 H ASP A 84 116.623 4.923 -1.411 1.00 0.87 H new ATOM 0 HA ASP A 84 117.872 3.321 0.802 1.00 0.93 H new ATOM 0 HB2 ASP A 84 117.817 6.346 0.425 1.00 0.98 H new ATOM 0 HB3 ASP A 84 118.822 5.430 1.530 1.00 0.98 H new ATOM 1180 N TYR A 85 115.549 3.499 1.870 1.00 0.84 N ATOM 1181 CA TYR A 85 114.357 3.721 2.730 1.00 0.76 C ATOM 1182 C TYR A 85 114.843 4.172 4.108 1.00 0.80 C ATOM 1183 O TYR A 85 115.721 3.575 4.691 1.00 0.92 O ATOM 1184 CB TYR A 85 113.555 2.408 2.832 1.00 0.80 C ATOM 1185 CG TYR A 85 112.405 2.419 1.854 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.190 3.007 2.217 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.556 1.844 0.588 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.124 3.020 1.315 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.491 1.856 -0.316 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.273 2.444 0.046 1.00 0.67 C ATOM 1191 OH TYR A 85 109.221 2.455 -0.847 1.00 0.68 O ATOM 0 H TYR A 85 115.826 2.524 1.752 1.00 0.84 H new ATOM 0 HA TYR A 85 113.706 4.487 2.308 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.207 1.559 2.627 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.177 2.283 3.847 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.076 3.451 3.195 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.496 1.391 0.309 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.185 3.474 1.595 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.607 1.412 -1.294 1.00 0.75 H new ATOM 0 HH TYR A 85 108.407 2.752 -0.390 1.00 0.68 H new ATOM 1201 N GLU A 86 114.277 5.234 4.613 1.00 0.73 N ATOM 1202 CA GLU A 86 114.688 5.781 5.949 1.00 0.78 C ATOM 1203 C GLU A 86 113.506 5.666 6.917 1.00 0.74 C ATOM 1204 O GLU A 86 112.405 6.081 6.617 1.00 0.68 O ATOM 1205 CB GLU A 86 115.117 7.278 5.811 1.00 0.78 C ATOM 1206 CG GLU A 86 114.969 7.768 4.356 1.00 0.72 C ATOM 1207 CD GLU A 86 116.155 7.276 3.524 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.858 6.395 3.992 1.00 1.53 O ATOM 1209 OE2 GLU A 86 116.341 7.789 2.433 1.00 1.26 O ATOM 0 H GLU A 86 113.534 5.759 4.152 1.00 0.73 H new ATOM 0 HA GLU A 86 115.536 5.211 6.330 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.507 7.896 6.470 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.152 7.394 6.133 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.036 7.399 3.931 1.00 0.72 H new ATOM 0 HG3 GLU A 86 114.922 8.857 4.332 1.00 0.72 H new ATOM 1216 N VAL A 87 113.737 5.104 8.076 1.00 0.81 N ATOM 1217 CA VAL A 87 112.649 4.948 9.086 1.00 0.78 C ATOM 1218 C VAL A 87 113.078 5.608 10.401 1.00 0.86 C ATOM 1219 O VAL A 87 114.223 5.513 10.811 1.00 0.99 O ATOM 1220 CB VAL A 87 112.395 3.455 9.300 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.555 2.827 10.076 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.092 3.263 10.079 1.00 0.83 C ATOM 0 H VAL A 87 114.645 4.742 8.368 1.00 0.81 H new ATOM 0 HA VAL A 87 111.734 5.427 8.737 1.00 0.78 H new ATOM 0 HB VAL A 87 112.315 2.967 8.329 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.362 1.764 10.222 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.480 2.954 9.514 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.650 3.315 11.046 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.912 2.199 10.231 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.170 3.759 11.046 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.264 3.694 9.516 1.00 0.83 H new ATOM 1232 N SER A 88 112.162 6.276 11.061 1.00 0.81 N ATOM 1233 CA SER A 88 112.489 6.954 12.356 1.00 0.91 C ATOM 1234 C SER A 88 111.425 6.602 13.388 1.00 0.87 C ATOM 1235 O SER A 88 110.336 7.137 13.376 1.00 0.84 O ATOM 1236 CB SER A 88 112.521 8.469 12.149 1.00 0.94 C ATOM 1237 OG SER A 88 111.192 8.972 12.149 1.00 1.59 O ATOM 0 H SER A 88 111.195 6.381 10.756 1.00 0.81 H new ATOM 0 HA SER A 88 113.465 6.620 12.707 1.00 0.91 H new ATOM 0 HB2 SER A 88 113.101 8.943 12.940 1.00 0.94 H new ATOM 0 HB3 SER A 88 113.012 8.708 11.206 1.00 0.94 H new ATOM 0 HG SER A 88 110.681 8.546 12.869 1.00 1.59 H new ATOM 1243 N ILE A 89 111.736 5.690 14.276 1.00 0.99 N ATOM 1244 CA ILE A 89 110.751 5.264 15.315 1.00 0.98 C ATOM 1245 C ILE A 89 111.208 5.720 16.707 1.00 1.08 C ATOM 1246 O ILE A 89 112.359 5.593 17.072 1.00 1.20 O ATOM 1247 CB ILE A 89 110.621 3.733 15.264 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.773 3.071 16.043 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.659 3.281 13.799 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.865 1.579 15.696 1.00 1.29 C ATOM 0 H ILE A 89 112.639 5.219 14.325 1.00 0.99 H new ATOM 0 HA ILE A 89 109.782 5.723 15.117 1.00 0.98 H new ATOM 0 HB ILE A 89 109.678 3.435 15.722 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.714 3.565 15.803 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.613 3.193 17.114 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.568 2.196 13.751 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.833 3.739 13.255 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.604 3.586 13.349 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.684 1.125 16.254 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.929 1.086 15.959 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.047 1.465 14.627 1.00 1.29 H new ATOM 1262 N LYS A 90 110.297 6.241 17.485 1.00 1.05 N ATOM 1263 CA LYS A 90 110.629 6.704 18.857 1.00 1.16 C ATOM 1264 C LYS A 90 109.471 6.334 19.771 1.00 1.11 C ATOM 1265 O LYS A 90 108.351 6.744 19.546 1.00 1.01 O ATOM 1266 CB LYS A 90 110.758 8.225 18.860 1.00 1.22 C ATOM 1267 CG LYS A 90 109.420 8.859 18.400 1.00 1.15 C ATOM 1268 CD LYS A 90 109.688 10.145 17.600 1.00 1.34 C ATOM 1269 CE LYS A 90 110.156 9.795 16.174 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.645 9.738 16.143 1.00 1.58 N ATOM 0 H LYS A 90 109.320 6.366 17.219 1.00 1.05 H new ATOM 0 HA LYS A 90 111.561 6.247 19.189 1.00 1.16 H new ATOM 0 HB2 LYS A 90 111.015 8.577 19.859 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.566 8.533 18.196 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.865 8.149 17.786 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.799 9.084 19.267 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.782 10.750 17.555 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.447 10.744 18.103 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.738 8.836 15.867 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.795 10.542 15.467 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.991 10.182 15.269 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 112.029 10.246 16.965 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.955 8.746 16.173 1.00 1.58 H new ATOM 1284 N PHE A 91 109.706 5.589 20.810 1.00 1.21 N ATOM 1285 CA PHE A 91 108.568 5.251 21.710 1.00 1.18 C ATOM 1286 C PHE A 91 108.356 6.427 22.662 1.00 1.22 C ATOM 1287 O PHE A 91 109.072 6.609 23.622 1.00 1.34 O ATOM 1288 CB PHE A 91 108.863 3.963 22.481 1.00 1.29 C ATOM 1289 CG PHE A 91 107.692 3.637 23.380 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.497 3.168 22.820 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.799 3.801 24.767 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.409 2.865 23.646 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.709 3.497 25.593 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.514 3.028 25.031 1.00 1.24 C ATOM 0 H PHE A 91 110.614 5.206 21.074 1.00 1.21 H new ATOM 0 HA PHE A 91 107.661 5.079 21.130 1.00 1.18 H new ATOM 0 HB2 PHE A 91 109.041 3.143 21.786 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.770 4.081 23.074 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.415 3.040 21.751 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.721 4.161 25.199 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.487 2.505 23.214 1.00 1.22 H new ATOM 0 HE2 PHE A 91 106.790 3.624 26.662 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.674 2.792 25.668 1.00 1.24 H new ATOM 1304 N ASN A 92 107.389 7.250 22.375 1.00 1.15 N ATOM 1305 CA ASN A 92 107.134 8.438 23.234 1.00 1.23 C ATOM 1306 C ASN A 92 108.261 9.461 23.027 1.00 1.32 C ATOM 1307 O ASN A 92 108.669 10.135 23.949 1.00 1.42 O ATOM 1308 CB ASN A 92 107.065 8.010 24.714 1.00 1.32 C ATOM 1309 CG ASN A 92 106.159 8.968 25.496 1.00 1.74 C ATOM 1310 OD1 ASN A 92 105.924 10.160 25.020 1.00 2.32 O flip ATOM 1311 ND2 ASN A 92 105.660 8.626 26.550 1.00 2.24 N flip ATOM 0 H ASN A 92 106.760 7.151 21.578 1.00 1.15 H new ATOM 0 HA ASN A 92 106.182 8.892 22.960 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.682 6.992 24.789 1.00 1.32 H new ATOM 0 HB3 ASN A 92 108.065 8.007 25.147 1.00 1.32 H new ATOM 0 HD21 ASN A 92 105.843 7.694 26.923 1.00 2.24 H new ATOM 0 HD22 ASN A 92 105.058 9.271 27.062 1.00 2.24 H new ATOM 1318 N ASP A 93 108.752 9.581 21.813 1.00 1.28 N ATOM 1319 CA ASP A 93 109.840 10.563 21.510 1.00 1.37 C ATOM 1320 C ASP A 93 111.214 10.040 21.931 1.00 1.45 C ATOM 1321 O ASP A 93 112.173 10.787 21.931 1.00 1.53 O ATOM 1322 CB ASP A 93 109.576 11.906 22.198 1.00 1.46 C ATOM 1323 CG ASP A 93 108.074 12.200 22.206 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.495 12.251 21.134 1.00 1.92 O ATOM 1325 OD2 ASP A 93 107.530 12.367 23.285 1.00 1.83 O ATOM 0 H ASP A 93 108.440 9.032 21.012 1.00 1.28 H new ATOM 0 HA ASP A 93 109.841 10.705 20.429 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.956 11.882 23.219 1.00 1.46 H new ATOM 0 HB3 ASP A 93 110.109 12.702 21.678 1.00 1.46 H new ATOM 1330 N GLU A 94 111.352 8.769 22.245 1.00 1.43 N ATOM 1331 CA GLU A 94 112.710 8.248 22.605 1.00 1.53 C ATOM 1332 C GLU A 94 113.261 7.548 21.366 1.00 1.52 C ATOM 1333 O GLU A 94 112.931 6.415 21.069 1.00 1.48 O ATOM 1334 CB GLU A 94 112.620 7.293 23.800 1.00 1.56 C ATOM 1335 CG GLU A 94 111.843 6.023 23.428 1.00 1.95 C ATOM 1336 CD GLU A 94 111.160 5.456 24.678 1.00 1.88 C ATOM 1337 OE1 GLU A 94 110.585 6.233 25.423 1.00 2.25 O ATOM 1338 OE2 GLU A 94 111.220 4.256 24.863 1.00 2.24 O ATOM 0 H GLU A 94 110.597 8.083 22.267 1.00 1.43 H new ATOM 0 HA GLU A 94 113.376 9.057 22.905 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.623 7.026 24.134 1.00 1.56 H new ATOM 0 HB3 GLU A 94 112.129 7.793 24.635 1.00 1.56 H new ATOM 0 HG2 GLU A 94 111.098 6.250 22.665 1.00 1.95 H new ATOM 0 HG3 GLU A 94 112.519 5.282 23.002 1.00 1.95 H new ATOM 1345 N HIS A 95 114.060 8.256 20.612 1.00 1.59 N ATOM 1346 CA HIS A 95 114.615 7.696 19.350 1.00 1.59 C ATOM 1347 C HIS A 95 115.644 6.607 19.644 1.00 1.71 C ATOM 1348 O HIS A 95 116.728 6.869 20.126 1.00 1.86 O ATOM 1349 CB HIS A 95 115.278 8.822 18.551 1.00 1.65 C ATOM 1350 CG HIS A 95 116.115 9.665 19.474 1.00 1.94 C ATOM 1351 ND1 HIS A 95 116.534 9.210 20.714 1.00 2.24 N ATOM 1352 CD2 HIS A 95 116.617 10.936 19.351 1.00 2.62 C ATOM 1353 CE1 HIS A 95 117.255 10.194 21.284 1.00 2.68 C ATOM 1354 NE2 HIS A 95 117.337 11.268 20.495 1.00 2.88 N ATOM 0 H HIS A 95 114.354 9.210 20.822 1.00 1.59 H new ATOM 0 HA HIS A 95 113.801 7.254 18.775 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.899 8.404 17.759 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.518 9.437 18.069 1.00 1.65 H new ATOM 0 HD1 HIS A 95 116.333 8.296 21.121 1.00 2.24 H new ATOM 0 HD2 HIS A 95 116.475 11.581 18.496 1.00 2.62 H new ATOM 0 HE1 HIS A 95 117.711 10.123 22.260 1.00 2.68 H new ATOM 1362 N ILE A 96 115.314 5.390 19.327 1.00 1.67 N ATOM 1363 CA ILE A 96 116.271 4.271 19.552 1.00 1.82 C ATOM 1364 C ILE A 96 117.568 4.594 18.775 1.00 1.88 C ATOM 1365 O ILE A 96 117.482 5.050 17.652 1.00 1.77 O ATOM 1366 CB ILE A 96 115.632 2.983 19.003 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.297 2.748 19.722 1.00 1.98 C ATOM 1368 CG2 ILE A 96 116.552 1.777 19.224 1.00 2.35 C ATOM 1369 CD1 ILE A 96 113.704 1.397 19.306 1.00 2.27 C ATOM 0 H ILE A 96 114.419 5.119 18.920 1.00 1.67 H new ATOM 0 HA ILE A 96 116.500 4.142 20.610 1.00 1.82 H new ATOM 0 HB ILE A 96 115.471 3.097 17.931 1.00 1.82 H new ATOM 0 HG12 ILE A 96 114.448 2.771 20.801 1.00 1.98 H new ATOM 0 HG13 ILE A 96 113.599 3.550 19.481 1.00 1.98 H new ATOM 0 HG21 ILE A 96 116.077 0.880 18.827 1.00 2.35 H new ATOM 0 HG22 ILE A 96 117.499 1.943 18.711 1.00 2.35 H new ATOM 0 HG23 ILE A 96 116.735 1.649 20.291 1.00 2.35 H new ATOM 0 HD11 ILE A 96 112.757 1.241 19.822 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.536 1.390 18.229 1.00 2.27 H new ATOM 0 HD13 ILE A 96 114.397 0.598 19.570 1.00 2.27 H new ATOM 1381 N PRO A 97 118.739 4.367 19.359 1.00 2.08 N ATOM 1382 CA PRO A 97 120.004 4.666 18.659 1.00 2.18 C ATOM 1383 C PRO A 97 119.923 4.203 17.198 1.00 2.06 C ATOM 1384 O PRO A 97 120.629 4.695 16.340 1.00 2.32 O ATOM 1385 CB PRO A 97 121.082 3.912 19.462 1.00 2.43 C ATOM 1386 CG PRO A 97 120.437 3.515 20.823 1.00 2.48 C ATOM 1387 CD PRO A 97 118.919 3.802 20.718 1.00 2.25 C ATOM 0 HA PRO A 97 120.229 5.731 18.613 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.418 3.027 18.921 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.958 4.542 19.619 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.614 2.461 21.039 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.880 4.086 21.639 1.00 2.48 H new ATOM 0 HD2 PRO A 97 118.333 2.892 20.850 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.594 4.504 21.486 1.00 2.25 H new ATOM 1395 N ASP A 98 119.043 3.287 16.907 1.00 2.10 N ATOM 1396 CA ASP A 98 118.889 2.824 15.502 1.00 1.98 C ATOM 1397 C ASP A 98 118.322 3.964 14.680 1.00 1.76 C ATOM 1398 O ASP A 98 118.971 4.500 13.804 1.00 1.73 O ATOM 1399 CB ASP A 98 117.923 1.634 15.453 1.00 1.95 C ATOM 1400 CG ASP A 98 118.560 0.431 16.149 1.00 2.28 C ATOM 1401 OD1 ASP A 98 119.778 0.352 16.157 1.00 2.65 O ATOM 1402 OD2 ASP A 98 117.820 -0.392 16.662 1.00 2.64 O ATOM 0 H ASP A 98 118.424 2.839 17.582 1.00 2.10 H new ATOM 0 HA ASP A 98 119.856 2.515 15.104 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.984 1.894 15.941 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.687 1.386 14.418 1.00 1.95 H new ATOM 1407 N SER A 99 117.102 4.318 14.934 1.00 1.67 N ATOM 1408 CA SER A 99 116.463 5.400 14.150 1.00 1.48 C ATOM 1409 C SER A 99 117.254 6.714 14.326 1.00 1.62 C ATOM 1410 O SER A 99 117.717 6.988 15.416 1.00 1.87 O ATOM 1411 CB SER A 99 115.028 5.580 14.668 1.00 1.48 C ATOM 1412 OG SER A 99 114.975 5.176 16.030 1.00 2.00 O ATOM 0 H SER A 99 116.515 3.902 15.656 1.00 1.67 H new ATOM 0 HA SER A 99 116.453 5.143 13.091 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.721 6.621 14.572 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.335 4.987 14.072 1.00 1.48 H new ATOM 0 HG SER A 99 114.068 5.310 16.376 1.00 2.00 H new ATOM 1418 N PRO A 100 117.361 7.525 13.280 1.00 1.55 N ATOM 1419 CA PRO A 100 116.820 7.257 11.917 1.00 1.33 C ATOM 1420 C PRO A 100 117.831 6.398 11.121 1.00 1.33 C ATOM 1421 O PRO A 100 118.896 6.880 10.790 1.00 1.47 O ATOM 1422 CB PRO A 100 116.726 8.664 11.283 1.00 1.43 C ATOM 1423 CG PRO A 100 117.622 9.609 12.135 1.00 1.74 C ATOM 1424 CD PRO A 100 118.025 8.835 13.411 1.00 1.79 C ATOM 0 HA PRO A 100 115.869 6.725 11.927 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.064 8.643 10.247 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.694 9.015 11.275 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.506 9.910 11.573 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.083 10.520 12.393 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.107 8.725 13.482 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.698 9.357 14.310 1.00 1.79 H new ATOM 1432 N PHE A 101 117.524 5.150 10.791 1.00 1.25 N ATOM 1433 CA PHE A 101 118.513 4.322 9.993 1.00 1.36 C ATOM 1434 C PHE A 101 117.965 4.051 8.592 1.00 1.24 C ATOM 1435 O PHE A 101 116.789 4.205 8.328 1.00 1.16 O ATOM 1436 CB PHE A 101 118.837 2.995 10.696 1.00 1.55 C ATOM 1437 CG PHE A 101 117.607 2.138 10.883 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.230 1.208 9.911 1.00 1.78 C ATOM 1439 CD2 PHE A 101 116.874 2.246 12.058 1.00 1.50 C ATOM 1440 CE1 PHE A 101 116.108 0.397 10.126 1.00 2.18 C ATOM 1441 CE2 PHE A 101 115.764 1.441 12.279 1.00 1.83 C ATOM 1442 CZ PHE A 101 115.375 0.513 11.313 1.00 2.19 C ATOM 0 H PHE A 101 116.653 4.678 11.033 1.00 1.25 H new ATOM 0 HA PHE A 101 119.437 4.894 9.915 1.00 1.36 H new ATOM 0 HB2 PHE A 101 119.576 2.446 10.112 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.287 3.200 11.667 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.800 1.115 8.999 1.00 1.78 H new ATOM 0 HD2 PHE A 101 117.171 2.964 12.808 1.00 1.50 H new ATOM 0 HE1 PHE A 101 115.808 -0.319 9.375 1.00 2.18 H new ATOM 0 HE2 PHE A 101 115.203 1.533 13.197 1.00 1.83 H new ATOM 0 HZ PHE A 101 114.511 -0.114 11.480 1.00 2.19 H new ATOM 1452 N VAL A 102 118.829 3.675 7.680 1.00 1.28 N ATOM 1453 CA VAL A 102 118.391 3.422 6.275 1.00 1.21 C ATOM 1454 C VAL A 102 118.064 1.940 6.062 1.00 1.23 C ATOM 1455 O VAL A 102 118.577 1.071 6.739 1.00 1.34 O ATOM 1456 CB VAL A 102 119.515 3.833 5.319 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.788 3.052 5.653 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.096 3.531 3.878 1.00 1.29 C ATOM 0 H VAL A 102 119.824 3.532 7.852 1.00 1.28 H new ATOM 0 HA VAL A 102 117.492 4.007 6.079 1.00 1.21 H new ATOM 0 HB VAL A 102 119.707 4.900 5.427 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.585 3.347 4.971 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.089 3.268 6.678 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.598 1.984 5.548 1.00 1.44 H new ATOM 0 HG21 VAL A 102 119.896 3.823 3.198 1.00 1.29 H new ATOM 0 HG22 VAL A 102 118.901 2.464 3.772 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.192 4.090 3.637 1.00 1.29 H new ATOM 1468 N VAL A 103 117.213 1.658 5.106 1.00 1.15 N ATOM 1469 CA VAL A 103 116.824 0.246 4.793 1.00 1.19 C ATOM 1470 C VAL A 103 117.011 0.018 3.277 1.00 1.19 C ATOM 1471 O VAL A 103 116.088 0.223 2.517 1.00 1.10 O ATOM 1472 CB VAL A 103 115.349 0.049 5.162 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.860 -1.315 4.657 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.201 0.110 6.684 1.00 1.14 C ATOM 0 H VAL A 103 116.763 2.360 4.518 1.00 1.15 H new ATOM 0 HA VAL A 103 117.438 -0.458 5.355 1.00 1.19 H new ATOM 0 HB VAL A 103 114.753 0.835 4.699 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.811 -1.447 4.923 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.968 -1.362 3.573 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.453 -2.107 5.115 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.154 -0.029 6.954 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.801 -0.678 7.140 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.542 1.081 7.044 1.00 1.14 H new ATOM 1484 N PRO A 104 118.204 -0.358 2.859 1.00 1.29 N ATOM 1485 CA PRO A 104 118.487 -0.559 1.422 1.00 1.30 C ATOM 1486 C PRO A 104 117.647 -1.703 0.824 1.00 1.33 C ATOM 1487 O PRO A 104 117.838 -2.864 1.135 1.00 1.44 O ATOM 1488 CB PRO A 104 120.002 -0.880 1.357 1.00 1.42 C ATOM 1489 CG PRO A 104 120.555 -0.827 2.811 1.00 1.49 C ATOM 1490 CD PRO A 104 119.354 -0.606 3.756 1.00 1.41 C ATOM 0 HA PRO A 104 118.227 0.322 0.835 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.167 -1.865 0.920 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.520 -0.160 0.724 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.072 -1.754 3.059 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.280 -0.020 2.917 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.182 -1.478 4.387 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.525 0.240 4.422 1.00 1.41 H new ATOM 1498 N VAL A 105 116.742 -1.376 -0.067 1.00 1.25 N ATOM 1499 CA VAL A 105 115.912 -2.421 -0.737 1.00 1.29 C ATOM 1500 C VAL A 105 116.596 -2.735 -2.083 1.00 1.35 C ATOM 1501 O VAL A 105 117.177 -1.855 -2.696 1.00 1.31 O ATOM 1502 CB VAL A 105 114.497 -1.859 -0.941 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.662 -2.787 -1.835 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.810 -1.714 0.420 1.00 1.15 C ATOM 0 H VAL A 105 116.543 -0.420 -0.360 1.00 1.25 H new ATOM 0 HA VAL A 105 115.829 -3.334 -0.147 1.00 1.29 H new ATOM 0 HB VAL A 105 114.576 -0.887 -1.429 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.664 -2.367 -1.964 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.143 -2.885 -2.808 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.585 -3.769 -1.368 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.805 -1.315 0.280 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.749 -2.689 0.903 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.386 -1.034 1.048 1.00 1.15 H new ATOM 1514 N ALA A 106 116.581 -3.980 -2.525 1.00 1.46 N ATOM 1515 CA ALA A 106 117.290 -4.345 -3.807 1.00 1.53 C ATOM 1516 C ALA A 106 116.436 -5.287 -4.690 1.00 1.59 C ATOM 1517 O ALA A 106 115.885 -6.263 -4.236 1.00 1.66 O ATOM 1518 CB ALA A 106 118.605 -5.039 -3.427 1.00 1.67 C ATOM 0 H ALA A 106 116.111 -4.755 -2.057 1.00 1.46 H new ATOM 0 HA ALA A 106 117.472 -3.441 -4.388 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.144 -5.317 -4.332 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.217 -4.359 -2.834 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.389 -5.934 -2.844 1.00 1.67 H new ATOM 1524 N SER A 107 116.345 -4.998 -5.961 1.00 1.59 N ATOM 1525 CA SER A 107 115.559 -5.862 -6.889 1.00 1.67 C ATOM 1526 C SER A 107 116.464 -6.992 -7.351 1.00 1.81 C ATOM 1527 O SER A 107 116.811 -7.095 -8.510 1.00 1.83 O ATOM 1528 CB SER A 107 115.103 -5.048 -8.103 1.00 1.60 C ATOM 1529 OG SER A 107 116.201 -4.869 -8.989 1.00 2.04 O ATOM 0 H SER A 107 116.787 -4.191 -6.400 1.00 1.59 H new ATOM 0 HA SER A 107 114.678 -6.254 -6.382 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.289 -5.561 -8.614 1.00 1.60 H new ATOM 0 HB3 SER A 107 114.718 -4.080 -7.782 1.00 1.60 H new ATOM 0 HG SER A 107 116.450 -5.733 -9.380 1.00 2.04 H new ATOM 1535 N LEU A 108 116.876 -7.811 -6.432 1.00 1.98 N ATOM 1536 CA LEU A 108 117.804 -8.930 -6.765 1.00 2.16 C ATOM 1537 C LEU A 108 119.208 -8.333 -6.851 1.00 2.13 C ATOM 1538 O LEU A 108 120.205 -9.027 -6.822 1.00 2.33 O ATOM 1539 CB LEU A 108 117.406 -9.589 -8.108 1.00 2.25 C ATOM 1540 CG LEU A 108 117.766 -11.091 -8.096 1.00 2.76 C ATOM 1541 CD1 LEU A 108 116.647 -11.894 -7.420 1.00 3.20 C ATOM 1542 CD2 LEU A 108 117.944 -11.594 -9.534 1.00 3.20 C ATOM 0 H LEU A 108 116.608 -7.756 -5.449 1.00 1.98 H new ATOM 0 HA LEU A 108 117.761 -9.708 -6.003 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.336 -9.466 -8.278 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.919 -9.092 -8.931 1.00 2.25 H new ATOM 0 HG LEU A 108 118.695 -11.224 -7.542 1.00 2.76 H new ATOM 0 HD11 LEU A 108 116.910 -12.952 -7.416 1.00 3.20 H new ATOM 0 HD12 LEU A 108 116.520 -11.548 -6.394 1.00 3.20 H new ATOM 0 HD13 LEU A 108 115.716 -11.753 -7.969 1.00 3.20 H new ATOM 0 HD21 LEU A 108 118.198 -12.654 -9.520 1.00 3.20 H new ATOM 0 HD22 LEU A 108 117.016 -11.450 -10.087 1.00 3.20 H new ATOM 0 HD23 LEU A 108 118.745 -11.036 -10.018 1.00 3.20 H new ATOM 1554 N SER A 109 119.274 -7.031 -6.932 1.00 1.93 N ATOM 1555 CA SER A 109 120.586 -6.339 -6.993 1.00 1.92 C ATOM 1556 C SER A 109 121.303 -6.529 -5.661 1.00 2.00 C ATOM 1557 O SER A 109 122.511 -6.434 -5.576 1.00 2.09 O ATOM 1558 CB SER A 109 120.354 -4.854 -7.262 1.00 1.77 C ATOM 1559 OG SER A 109 121.605 -4.227 -7.507 1.00 2.06 O ATOM 0 H SER A 109 118.463 -6.414 -6.959 1.00 1.93 H new ATOM 0 HA SER A 109 121.199 -6.753 -7.794 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.694 -4.725 -8.120 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.861 -4.389 -6.408 1.00 1.77 H new ATOM 0 HG SER A 109 121.464 -3.273 -7.682 1.00 2.06 H new ATOM 1565 N ASP A 110 120.565 -6.787 -4.613 1.00 1.99 N ATOM 1566 CA ASP A 110 121.209 -6.971 -3.279 1.00 2.10 C ATOM 1567 C ASP A 110 122.099 -5.761 -3.012 1.00 2.06 C ATOM 1568 O ASP A 110 122.906 -5.746 -2.105 1.00 2.19 O ATOM 1569 CB ASP A 110 122.055 -8.246 -3.287 1.00 2.32 C ATOM 1570 CG ASP A 110 121.195 -9.426 -3.741 1.00 2.37 C ATOM 1571 OD1 ASP A 110 120.175 -9.666 -3.115 1.00 2.85 O ATOM 1572 OD2 ASP A 110 121.570 -10.070 -4.706 1.00 2.61 O ATOM 0 H ASP A 110 119.549 -6.878 -4.623 1.00 1.99 H new ATOM 0 HA ASP A 110 120.451 -7.060 -2.501 1.00 2.10 H new ATOM 0 HB2 ASP A 110 122.908 -8.125 -3.955 1.00 2.32 H new ATOM 0 HB3 ASP A 110 122.455 -8.436 -2.291 1.00 2.32 H new ATOM 1836 N ARG B 8 113.352 11.754 -2.328 1.00 0.48 N ATOM 1837 CA ARG B 8 112.550 10.552 -2.695 1.00 0.50 C ATOM 1838 C ARG B 8 111.122 10.763 -2.196 1.00 0.48 C ATOM 1839 O ARG B 8 110.859 11.659 -1.419 1.00 0.96 O ATOM 1840 CB ARG B 8 113.142 9.306 -2.025 1.00 0.67 C ATOM 1841 CG ARG B 8 114.658 9.249 -2.251 1.00 0.80 C ATOM 1842 CD ARG B 8 115.269 8.177 -1.346 1.00 1.18 C ATOM 1843 NE ARG B 8 115.241 8.634 0.085 1.00 1.76 N ATOM 1844 CZ ARG B 8 115.858 9.718 0.478 1.00 2.26 C ATOM 1845 NH1 ARG B 8 116.647 10.365 -0.335 1.00 3.04 N ATOM 1846 NH2 ARG B 8 115.719 10.130 1.709 1.00 2.64 N ATOM 0 HA ARG B 8 112.562 10.411 -3.776 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.927 9.323 -0.956 1.00 0.67 H new ATOM 0 HB3 ARG B 8 112.673 8.409 -2.430 1.00 0.67 H new ATOM 0 HG2 ARG B 8 114.872 9.024 -3.296 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.105 10.220 -2.036 1.00 0.80 H new ATOM 0 HD2 ARG B 8 114.715 7.244 -1.449 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.295 7.974 -1.651 1.00 1.18 H new ATOM 0 HE ARG B 8 114.725 8.082 0.771 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.787 10.026 -1.287 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.124 11.210 -0.019 1.00 3.04 H new ATOM 0 HH21 ARG B 8 115.132 9.607 2.359 1.00 2.64 H new ATOM 0 HH22 ARG B 8 116.198 10.975 2.021 1.00 2.64 H new ATOM 1860 N VAL B 9 110.196 9.952 -2.620 1.00 0.42 N ATOM 1861 CA VAL B 9 108.798 10.131 -2.142 1.00 0.36 C ATOM 1862 C VAL B 9 108.816 10.162 -0.609 1.00 0.28 C ATOM 1863 O VAL B 9 109.759 9.711 0.012 1.00 0.38 O ATOM 1864 CB VAL B 9 107.936 8.971 -2.656 1.00 0.45 C ATOM 1865 CG1 VAL B 9 106.630 8.880 -1.858 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.608 9.200 -4.134 1.00 0.66 C ATOM 0 H VAL B 9 110.343 9.180 -3.270 1.00 0.42 H new ATOM 0 HA VAL B 9 108.374 11.063 -2.516 1.00 0.36 H new ATOM 0 HB VAL B 9 108.490 8.040 -2.535 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.030 8.052 -2.235 1.00 0.67 H new ATOM 0 HG12 VAL B 9 106.858 8.713 -0.805 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.072 9.810 -1.965 1.00 0.67 H new ATOM 0 HG21 VAL B 9 106.995 8.377 -4.502 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.062 10.137 -4.245 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.533 9.249 -4.709 1.00 0.66 H new ATOM 1876 N ALA B 10 107.793 10.707 0.003 1.00 0.27 N ATOM 1877 CA ALA B 10 107.754 10.793 1.501 1.00 0.35 C ATOM 1878 C ALA B 10 106.533 10.053 2.046 1.00 0.26 C ATOM 1879 O ALA B 10 105.495 9.987 1.416 1.00 0.40 O ATOM 1880 CB ALA B 10 107.668 12.263 1.913 1.00 0.58 C ATOM 0 H ALA B 10 106.979 11.098 -0.471 1.00 0.27 H new ATOM 0 HA ALA B 10 108.657 10.336 1.906 1.00 0.35 H new ATOM 0 HB1 ALA B 10 107.639 12.335 3.000 1.00 0.58 H new ATOM 0 HB2 ALA B 10 108.540 12.798 1.537 1.00 0.58 H new ATOM 0 HB3 ALA B 10 106.763 12.705 1.496 1.00 0.58 H new ATOM 1886 N SER B 11 106.653 9.505 3.227 1.00 0.23 N ATOM 1887 CA SER B 11 105.509 8.772 3.850 1.00 0.22 C ATOM 1888 C SER B 11 105.513 9.040 5.357 1.00 0.23 C ATOM 1889 O SER B 11 106.556 9.130 5.975 1.00 0.30 O ATOM 1890 CB SER B 11 105.663 7.272 3.597 1.00 0.36 C ATOM 1891 OG SER B 11 104.833 6.554 4.501 1.00 1.19 O ATOM 0 H SER B 11 107.502 9.534 3.792 1.00 0.23 H new ATOM 0 HA SER B 11 104.570 9.113 3.415 1.00 0.22 H new ATOM 0 HB2 SER B 11 105.390 7.035 2.569 1.00 0.36 H new ATOM 0 HB3 SER B 11 106.704 6.975 3.727 1.00 0.36 H new ATOM 0 HG SER B 11 104.929 5.592 4.340 1.00 1.19 H new ATOM 1897 N SER B 12 104.358 9.175 5.960 1.00 0.27 N ATOM 1898 CA SER B 12 104.308 9.446 7.430 1.00 0.35 C ATOM 1899 C SER B 12 103.091 8.755 8.052 1.00 0.31 C ATOM 1900 O SER B 12 101.973 8.913 7.604 1.00 0.41 O ATOM 1901 CB SER B 12 104.205 10.954 7.662 1.00 0.52 C ATOM 1902 OG SER B 12 103.144 11.480 6.876 1.00 1.38 O ATOM 0 H SER B 12 103.450 9.110 5.500 1.00 0.27 H new ATOM 0 HA SER B 12 105.215 9.059 7.895 1.00 0.35 H new ATOM 0 HB2 SER B 12 104.027 11.160 8.718 1.00 0.52 H new ATOM 0 HB3 SER B 12 105.144 11.439 7.397 1.00 0.52 H new ATOM 0 HG SER B 12 102.403 10.839 6.856 1.00 1.38 H new ATOM 1908 N VAL B 13 103.310 7.994 9.090 1.00 0.27 N ATOM 1909 CA VAL B 13 102.186 7.288 9.764 1.00 0.27 C ATOM 1910 C VAL B 13 102.709 6.636 11.041 1.00 0.32 C ATOM 1911 O VAL B 13 103.907 6.603 11.287 1.00 0.41 O ATOM 1912 CB VAL B 13 101.624 6.214 8.832 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.736 5.236 8.449 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.484 5.454 9.529 1.00 0.41 C ATOM 0 H VAL B 13 104.228 7.831 9.503 1.00 0.27 H new ATOM 0 HA VAL B 13 101.395 7.998 10.008 1.00 0.27 H new ATOM 0 HB VAL B 13 101.234 6.691 7.933 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.335 4.471 7.785 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.535 5.775 7.941 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.132 4.764 9.349 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.091 4.691 8.857 1.00 0.41 H new ATOM 0 HG22 VAL B 13 100.863 4.979 10.434 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.689 6.152 9.791 1.00 0.41 H new ATOM 1924 N PHE B 14 101.830 6.113 11.857 1.00 0.36 N ATOM 1925 CA PHE B 14 102.300 5.463 13.112 1.00 0.45 C ATOM 1926 C PHE B 14 101.150 4.853 13.915 1.00 0.34 C ATOM 1927 O PHE B 14 100.033 4.725 13.453 1.00 0.35 O ATOM 1928 CB PHE B 14 102.998 6.487 13.999 1.00 0.59 C ATOM 1929 CG PHE B 14 102.011 7.500 14.543 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.379 8.401 13.677 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.741 7.548 15.917 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.479 9.344 14.183 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.842 8.492 16.423 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.209 9.390 15.557 1.00 1.54 C ATOM 0 H PHE B 14 100.821 6.108 11.710 1.00 0.36 H new ATOM 0 HA PHE B 14 102.983 4.667 12.815 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.495 5.979 14.825 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.772 6.999 13.428 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.587 8.367 12.618 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.228 6.855 16.587 1.00 1.40 H new ATOM 0 HE1 PHE B 14 99.991 10.038 13.514 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.636 8.528 17.483 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.513 10.118 15.947 1.00 1.54 H new ATOM 1944 N ILE B 15 101.447 4.484 15.138 1.00 0.34 N ATOM 1945 CA ILE B 15 100.431 3.882 16.038 1.00 0.33 C ATOM 1946 C ILE B 15 100.785 4.276 17.480 1.00 0.31 C ATOM 1947 O ILE B 15 101.825 4.854 17.731 1.00 0.58 O ATOM 1948 CB ILE B 15 100.472 2.358 15.889 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.921 1.908 15.676 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.627 1.929 14.686 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.022 0.396 15.884 1.00 1.25 C ATOM 0 H ILE B 15 102.374 4.580 15.553 1.00 0.34 H new ATOM 0 HA ILE B 15 99.431 4.236 15.788 1.00 0.33 H new ATOM 0 HB ILE B 15 100.071 1.898 16.792 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.250 2.170 14.671 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.580 2.426 16.373 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.661 0.844 14.586 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.595 2.248 14.834 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.023 2.389 13.781 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.053 0.076 15.732 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.710 0.147 16.898 1.00 1.25 H new ATOM 0 HD13 ILE B 15 101.375 -0.114 15.170 1.00 1.25 H new ATOM 1963 N THR B 16 99.940 3.976 18.432 1.00 0.35 N ATOM 1964 CA THR B 16 100.253 4.349 19.848 1.00 0.47 C ATOM 1965 C THR B 16 99.691 3.299 20.807 1.00 0.31 C ATOM 1966 O THR B 16 98.675 2.685 20.549 1.00 0.35 O ATOM 1967 CB THR B 16 99.625 5.709 20.163 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.738 5.970 21.556 1.00 1.61 O ATOM 1969 CG2 THR B 16 98.149 5.697 19.762 1.00 1.40 C ATOM 0 H THR B 16 99.053 3.492 18.294 1.00 0.35 H new ATOM 0 HA THR B 16 101.335 4.401 19.972 1.00 0.47 H new ATOM 0 HB THR B 16 100.144 6.487 19.604 1.00 0.75 H new ATOM 0 HG1 THR B 16 100.567 5.575 21.897 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.703 6.666 19.987 1.00 1.40 H new ATOM 0 HG22 THR B 16 98.064 5.497 18.694 1.00 1.40 H new ATOM 0 HG23 THR B 16 97.627 4.919 20.319 1.00 1.40 H new ATOM 1977 N LEU B 17 100.352 3.093 21.920 1.00 0.39 N ATOM 1978 CA LEU B 17 99.872 2.088 22.918 1.00 0.44 C ATOM 1979 C LEU B 17 99.160 2.816 24.061 1.00 0.31 C ATOM 1980 O LEU B 17 99.694 3.733 24.654 1.00 0.54 O ATOM 1981 CB LEU B 17 101.069 1.312 23.475 1.00 0.72 C ATOM 1982 CG LEU B 17 102.003 0.912 22.329 1.00 0.83 C ATOM 1983 CD1 LEU B 17 103.111 0.005 22.868 1.00 1.06 C ATOM 1984 CD2 LEU B 17 101.207 0.161 21.255 1.00 1.32 C ATOM 0 H LEU B 17 101.209 3.581 22.181 1.00 0.39 H new ATOM 0 HA LEU B 17 99.182 1.394 22.438 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.607 1.924 24.199 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.724 0.423 24.003 1.00 0.72 H new ATOM 0 HG LEU B 17 102.444 1.808 21.893 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.776 -0.280 22.053 1.00 1.06 H new ATOM 0 HD12 LEU B 17 103.679 0.538 23.630 1.00 1.06 H new ATOM 0 HD13 LEU B 17 102.668 -0.890 23.305 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.873 -0.123 20.440 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.764 -0.735 21.690 1.00 1.32 H new ATOM 0 HD23 LEU B 17 100.417 0.806 20.870 1.00 1.32 H new