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 Single : A 19 HIS : no HE2:sc= -0.0237 K(o=-0.024,f=-0.87) USER MOD Single : A 20 LYS NZ :NH3+ -103:sc= -0.289 (180deg=-1.44!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -65:sc= 1.17 USER MOD Single : A 43 THR OG1 : rot 26:sc= 0.185 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 130:sc= -0.347 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -2.62! USER MOD Single : A 77 TYR OH : rot -44:sc= 1.27 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.378 F(o=-2.9!,f=-0.38) USER MOD Single : A 85 TYR OH : rot -16:sc= 0.548 USER MOD Single : A 88 SER OG : rot 180:sc=-0.00411 USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= -4.37! (180deg=-5.95!) USER MOD Single : A 92 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.2!) USER MOD Single : A 95 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-2.7!) USER MOD Single : A 99 SER OG : rot -159:sc= 0.979 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= -0.581 USER MOD Single : B 12 SER OG : rot 35:sc= 0.467 USER MOD Single : B 16 THR OG1 : rot 38:sc= 0.905 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 111.775 6.626 29.163 1.00 2.21 N ATOM 228 CA GLY A 16 110.446 5.963 29.230 1.00 2.06 C ATOM 229 C GLY A 16 110.267 5.023 28.036 1.00 1.98 C ATOM 230 O GLY A 16 110.208 5.448 26.900 1.00 2.44 O ATOM 0 HA2 GLY A 16 110.357 5.403 30.161 1.00 2.06 H new ATOM 0 HA3 GLY A 16 109.656 6.714 29.233 1.00 2.06 H new ATOM 234 N GLY A 17 110.168 3.744 28.290 1.00 1.81 N ATOM 235 CA GLY A 17 109.979 2.763 27.179 1.00 1.74 C ATOM 236 C GLY A 17 111.332 2.247 26.695 1.00 1.78 C ATOM 237 O GLY A 17 111.558 1.057 26.609 1.00 1.80 O ATOM 0 H GLY A 17 110.210 3.335 29.223 1.00 1.81 H new ATOM 0 HA2 GLY A 17 109.365 1.930 27.520 1.00 1.74 H new ATOM 0 HA3 GLY A 17 109.445 3.235 26.354 1.00 1.74 H new ATOM 241 N ALA A 18 112.216 3.140 26.356 1.00 1.84 N ATOM 242 CA ALA A 18 113.566 2.737 25.847 1.00 1.96 C ATOM 243 C ALA A 18 114.115 1.565 26.659 1.00 2.07 C ATOM 244 O ALA A 18 115.024 0.878 26.239 1.00 2.21 O ATOM 245 CB ALA A 18 114.522 3.935 25.965 1.00 2.09 C ATOM 0 H ALA A 18 112.064 4.147 26.409 1.00 1.84 H new ATOM 0 HA ALA A 18 113.478 2.428 24.805 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.508 3.651 25.597 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.139 4.766 25.373 1.00 2.09 H new ATOM 0 HB3 ALA A 18 114.598 4.238 27.009 1.00 2.09 H new ATOM 251 N HIS A 19 113.579 1.338 27.820 1.00 2.06 N ATOM 252 CA HIS A 19 114.076 0.222 28.662 1.00 2.21 C ATOM 253 C HIS A 19 113.377 -1.087 28.265 1.00 2.15 C ATOM 254 O HIS A 19 113.992 -2.134 28.216 1.00 2.33 O ATOM 255 CB HIS A 19 113.787 0.555 30.130 1.00 2.33 C ATOM 256 CG HIS A 19 114.005 -0.659 30.995 1.00 2.51 C ATOM 257 ND1 HIS A 19 115.118 -1.473 30.860 1.00 2.79 N ATOM 258 CD2 HIS A 19 113.261 -1.208 32.010 1.00 2.86 C ATOM 259 CE1 HIS A 19 115.013 -2.459 31.770 1.00 2.87 C ATOM 260 NE2 HIS A 19 113.899 -2.344 32.498 1.00 2.87 N ATOM 0 H HIS A 19 112.815 1.879 28.224 1.00 2.06 H new ATOM 0 HA HIS A 19 115.149 0.093 28.518 1.00 2.21 H new ATOM 0 HB2 HIS A 19 114.436 1.366 30.460 1.00 2.33 H new ATOM 0 HB3 HIS A 19 112.760 0.905 30.235 1.00 2.33 H new ATOM 0 HD1 HIS A 19 115.879 -1.348 30.192 1.00 2.79 H new ATOM 0 HD2 HIS A 19 112.322 -0.817 32.374 1.00 2.86 H new ATOM 0 HE1 HIS A 19 115.741 -3.247 31.896 1.00 2.87 H new ATOM 268 N LYS A 20 112.096 -1.042 27.998 1.00 2.02 N ATOM 269 CA LYS A 20 111.354 -2.288 27.623 1.00 2.01 C ATOM 270 C LYS A 20 111.174 -2.371 26.105 1.00 1.90 C ATOM 271 O LYS A 20 111.090 -3.445 25.543 1.00 1.96 O ATOM 272 CB LYS A 20 109.978 -2.264 28.298 1.00 1.99 C ATOM 273 CG LYS A 20 109.147 -1.056 27.790 1.00 1.81 C ATOM 274 CD LYS A 20 108.074 -1.528 26.794 1.00 1.74 C ATOM 275 CE LYS A 20 107.496 -0.339 25.988 1.00 1.58 C ATOM 276 NZ LYS A 20 106.012 -0.333 26.121 1.00 1.94 N ATOM 0 H LYS A 20 111.529 -0.194 28.023 1.00 2.02 H new ATOM 0 HA LYS A 20 111.924 -3.157 27.953 1.00 2.01 H new ATOM 0 HB2 LYS A 20 109.447 -3.193 28.089 1.00 1.99 H new ATOM 0 HB3 LYS A 20 110.098 -2.202 29.380 1.00 1.99 H new ATOM 0 HG2 LYS A 20 108.674 -0.551 28.632 1.00 1.81 H new ATOM 0 HG3 LYS A 20 109.804 -0.330 27.311 1.00 1.81 H new ATOM 0 HD2 LYS A 20 108.505 -2.259 26.110 1.00 1.74 H new ATOM 0 HD3 LYS A 20 107.270 -2.031 27.332 1.00 1.74 H new ATOM 0 HE2 LYS A 20 107.910 0.600 26.355 1.00 1.58 H new ATOM 0 HE3 LYS A 20 107.779 -0.424 24.939 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 105.584 -0.711 25.252 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 105.734 -0.925 26.929 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 105.681 0.641 26.275 1.00 1.94 H new ATOM 290 N VAL A 21 111.106 -1.256 25.435 1.00 1.80 N ATOM 291 CA VAL A 21 110.922 -1.294 23.955 1.00 1.71 C ATOM 292 C VAL A 21 111.965 -2.214 23.326 1.00 1.76 C ATOM 293 O VAL A 21 113.146 -1.930 23.325 1.00 1.81 O ATOM 294 CB VAL A 21 111.064 0.117 23.381 1.00 1.64 C ATOM 295 CG1 VAL A 21 110.936 0.063 21.856 1.00 2.07 C ATOM 296 CG2 VAL A 21 109.964 1.020 23.955 1.00 1.75 C ATOM 0 H VAL A 21 111.169 -0.324 25.844 1.00 1.80 H new ATOM 0 HA VAL A 21 109.927 -1.676 23.728 1.00 1.71 H new ATOM 0 HB VAL A 21 112.040 0.520 23.651 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.037 1.068 21.447 1.00 2.07 H new ATOM 0 HG12 VAL A 21 111.719 -0.576 21.448 1.00 2.07 H new ATOM 0 HG13 VAL A 21 109.960 -0.342 21.587 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.067 2.025 23.545 1.00 1.75 H new ATOM 0 HG22 VAL A 21 108.987 0.618 23.688 1.00 1.75 H new ATOM 0 HG23 VAL A 21 110.056 1.060 25.040 1.00 1.75 H new ATOM 306 N ARG A 22 111.520 -3.321 22.793 1.00 1.78 N ATOM 307 CA ARG A 22 112.446 -4.302 22.149 1.00 1.85 C ATOM 308 C ARG A 22 112.069 -4.460 20.675 1.00 1.74 C ATOM 309 O ARG A 22 110.911 -4.569 20.328 1.00 1.66 O ATOM 310 CB ARG A 22 112.298 -5.646 22.865 1.00 1.96 C ATOM 311 CG ARG A 22 113.199 -6.709 22.208 1.00 2.03 C ATOM 312 CD ARG A 22 114.675 -6.268 22.271 1.00 2.18 C ATOM 313 NE ARG A 22 115.573 -7.474 22.291 1.00 2.75 N ATOM 314 CZ ARG A 22 115.503 -8.371 23.239 1.00 3.10 C ATOM 315 NH1 ARG A 22 114.731 -8.181 24.274 1.00 3.50 N ATOM 316 NH2 ARG A 22 116.240 -9.446 23.170 1.00 3.33 N ATOM 0 H ARG A 22 110.537 -3.592 22.776 1.00 1.78 H new ATOM 0 HA ARG A 22 113.476 -3.954 22.218 1.00 1.85 H new ATOM 0 HB2 ARG A 22 112.563 -5.536 23.917 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.258 -5.971 22.831 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.076 -7.665 22.716 1.00 2.03 H new ATOM 0 HG3 ARG A 22 112.900 -6.858 21.170 1.00 2.03 H new ATOM 0 HD2 ARG A 22 114.913 -5.642 21.411 1.00 2.18 H new ATOM 0 HD3 ARG A 22 114.845 -5.664 23.162 1.00 2.18 H new ATOM 0 HE ARG A 22 116.256 -7.595 21.543 1.00 2.75 H new ATOM 0 HH11 ARG A 22 114.177 -7.328 24.347 1.00 3.50 H new ATOM 0 HH12 ARG A 22 114.682 -8.886 25.010 1.00 3.50 H new ATOM 0 HH21 ARG A 22 116.868 -9.584 22.378 1.00 3.33 H new ATOM 0 HH22 ARG A 22 116.188 -10.148 23.908 1.00 3.33 H new ATOM 330 N ALA A 23 113.046 -4.480 19.807 1.00 1.77 N ATOM 331 CA ALA A 23 112.766 -4.638 18.348 1.00 1.68 C ATOM 332 C ALA A 23 113.882 -5.470 17.716 1.00 1.77 C ATOM 333 O ALA A 23 115.022 -5.053 17.660 1.00 1.83 O ATOM 334 CB ALA A 23 112.718 -3.260 17.685 1.00 1.59 C ATOM 0 H ALA A 23 114.033 -4.393 20.047 1.00 1.77 H new ATOM 0 HA ALA A 23 111.808 -5.138 18.208 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.514 -3.375 16.621 1.00 1.59 H new ATOM 0 HB2 ALA A 23 111.929 -2.663 18.143 1.00 1.59 H new ATOM 0 HB3 ALA A 23 113.677 -2.759 17.818 1.00 1.59 H new ATOM 340 N GLY A 24 113.568 -6.649 17.249 1.00 1.80 N ATOM 341 CA GLY A 24 114.618 -7.515 16.631 1.00 1.90 C ATOM 342 C GLY A 24 114.000 -8.397 15.541 1.00 1.86 C ATOM 343 O GLY A 24 113.069 -9.141 15.781 1.00 1.86 O ATOM 0 H GLY A 24 112.631 -7.051 17.268 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.407 -6.895 16.204 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.082 -8.139 17.395 1.00 1.90 H new ATOM 347 N GLY A 25 114.515 -8.322 14.340 1.00 1.85 N ATOM 348 CA GLY A 25 113.963 -9.163 13.239 1.00 1.84 C ATOM 349 C GLY A 25 114.735 -8.897 11.942 1.00 1.84 C ATOM 350 O GLY A 25 115.625 -8.071 11.895 1.00 1.84 O ATOM 0 H GLY A 25 115.292 -7.716 14.076 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.034 -10.218 13.505 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.906 -8.941 13.095 1.00 1.84 H new ATOM 354 N THR A 26 114.399 -9.594 10.888 1.00 1.86 N ATOM 355 CA THR A 26 115.105 -9.389 9.594 1.00 1.87 C ATOM 356 C THR A 26 114.609 -8.104 8.926 1.00 1.75 C ATOM 357 O THR A 26 115.204 -7.613 7.985 1.00 1.76 O ATOM 358 CB THR A 26 114.832 -10.580 8.671 1.00 1.96 C ATOM 359 OG1 THR A 26 115.022 -11.789 9.392 1.00 2.31 O ATOM 360 CG2 THR A 26 115.791 -10.536 7.480 1.00 2.29 C ATOM 0 H THR A 26 113.662 -10.299 10.870 1.00 1.86 H new ATOM 0 HA THR A 26 116.176 -9.306 9.780 1.00 1.87 H new ATOM 0 HB THR A 26 113.805 -10.531 8.308 1.00 1.96 H new ATOM 0 HG1 THR A 26 114.846 -12.552 8.803 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.596 -11.384 6.824 1.00 2.29 H new ATOM 0 HG22 THR A 26 115.643 -9.608 6.927 1.00 2.29 H new ATOM 0 HG23 THR A 26 116.819 -10.584 7.839 1.00 2.29 H new ATOM 368 N GLY A 27 113.531 -7.548 9.407 1.00 1.64 N ATOM 369 CA GLY A 27 113.012 -6.292 8.799 1.00 1.54 C ATOM 370 C GLY A 27 114.005 -5.172 9.086 1.00 1.50 C ATOM 371 O GLY A 27 113.989 -4.129 8.463 1.00 1.46 O ATOM 0 H GLY A 27 112.989 -7.908 10.192 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.882 -6.417 7.724 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.034 -6.047 9.212 1.00 1.54 H new ATOM 375 N LEU A 28 114.875 -5.394 10.031 1.00 1.57 N ATOM 376 CA LEU A 28 115.893 -4.369 10.387 1.00 1.59 C ATOM 377 C LEU A 28 117.169 -4.636 9.589 1.00 1.69 C ATOM 378 O LEU A 28 118.086 -3.840 9.572 1.00 1.83 O ATOM 379 CB LEU A 28 116.198 -4.481 11.882 1.00 1.65 C ATOM 380 CG LEU A 28 114.889 -4.613 12.664 1.00 1.58 C ATOM 381 CD1 LEU A 28 115.192 -4.622 14.164 1.00 1.66 C ATOM 382 CD2 LEU A 28 113.971 -3.430 12.335 1.00 1.61 C ATOM 0 H LEU A 28 114.924 -6.253 10.578 1.00 1.57 H new ATOM 0 HA LEU A 28 115.520 -3.371 10.157 1.00 1.59 H new ATOM 0 HB2 LEU A 28 116.834 -5.346 12.070 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.747 -3.602 12.218 1.00 1.65 H new ATOM 0 HG LEU A 28 114.393 -5.543 12.386 1.00 1.58 H new ATOM 0 HD11 LEU A 28 114.261 -4.716 14.723 1.00 1.66 H new ATOM 0 HD12 LEU A 28 115.843 -5.464 14.399 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.689 -3.692 14.440 1.00 1.66 H new ATOM 0 HD21 LEU A 28 113.040 -3.526 12.893 1.00 1.61 H new ATOM 0 HD22 LEU A 28 114.465 -2.498 12.611 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.755 -3.423 11.267 1.00 1.61 H new ATOM 394 N GLU A 29 117.234 -5.764 8.938 1.00 1.73 N ATOM 395 CA GLU A 29 118.448 -6.110 8.149 1.00 1.84 C ATOM 396 C GLU A 29 118.376 -5.462 6.763 1.00 1.75 C ATOM 397 O GLU A 29 119.268 -4.741 6.363 1.00 1.78 O ATOM 398 CB GLU A 29 118.531 -7.630 8.016 1.00 2.00 C ATOM 399 CG GLU A 29 118.645 -8.251 9.414 1.00 2.06 C ATOM 400 CD GLU A 29 120.076 -8.089 9.934 1.00 1.98 C ATOM 401 OE1 GLU A 29 120.873 -7.482 9.238 1.00 2.34 O ATOM 402 OE2 GLU A 29 120.350 -8.576 11.019 1.00 2.21 O ATOM 0 H GLU A 29 116.493 -6.465 8.919 1.00 1.73 H new ATOM 0 HA GLU A 29 119.337 -5.737 8.657 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.646 -8.012 7.506 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.393 -7.908 7.410 1.00 2.00 H new ATOM 0 HG2 GLU A 29 117.943 -7.769 10.095 1.00 2.06 H new ATOM 0 HG3 GLU A 29 118.379 -9.307 9.376 1.00 2.06 H new ATOM 409 N ARG A 30 117.325 -5.708 6.024 1.00 1.69 N ATOM 410 CA ARG A 30 117.216 -5.096 4.665 1.00 1.64 C ATOM 411 C ARG A 30 115.866 -5.457 4.038 1.00 1.59 C ATOM 412 O ARG A 30 115.045 -6.116 4.645 1.00 1.61 O ATOM 413 CB ARG A 30 118.344 -5.627 3.775 1.00 1.75 C ATOM 414 CG ARG A 30 118.465 -7.141 3.957 1.00 2.21 C ATOM 415 CD ARG A 30 119.350 -7.722 2.852 1.00 2.47 C ATOM 416 NE ARG A 30 120.744 -7.222 3.017 1.00 2.96 N ATOM 417 CZ ARG A 30 121.724 -7.805 2.382 1.00 3.36 C ATOM 418 NH1 ARG A 30 121.482 -8.822 1.602 1.00 3.77 N ATOM 419 NH2 ARG A 30 122.946 -7.369 2.527 1.00 3.76 N ATOM 0 H ARG A 30 116.543 -6.302 6.300 1.00 1.69 H new ATOM 0 HA ARG A 30 117.295 -4.012 4.753 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.140 -5.390 2.731 1.00 1.75 H new ATOM 0 HB3 ARG A 30 119.285 -5.142 4.034 1.00 1.75 H new ATOM 0 HG2 ARG A 30 118.891 -7.367 4.935 1.00 2.21 H new ATOM 0 HG3 ARG A 30 117.477 -7.601 3.926 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.336 -8.811 2.895 1.00 2.47 H new ATOM 0 HD3 ARG A 30 118.963 -7.436 1.874 1.00 2.47 H new ATOM 0 HE ARG A 30 120.932 -6.425 3.625 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.527 -9.162 1.488 1.00 3.77 H new ATOM 0 HH12 ARG A 30 122.248 -9.278 1.106 1.00 3.77 H new ATOM 0 HH21 ARG A 30 123.135 -6.573 3.136 1.00 3.76 H new ATOM 0 HH22 ARG A 30 123.712 -7.824 2.031 1.00 3.76 H new ATOM 433 N GLY A 31 115.632 -5.035 2.819 1.00 1.54 N ATOM 434 CA GLY A 31 114.343 -5.354 2.141 1.00 1.52 C ATOM 435 C GLY A 31 114.612 -5.559 0.653 1.00 1.55 C ATOM 436 O GLY A 31 115.717 -5.364 0.188 1.00 1.57 O ATOM 0 H GLY A 31 116.284 -4.481 2.264 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.901 -6.252 2.573 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.628 -4.545 2.288 1.00 1.52 H new ATOM 440 N VAL A 32 113.617 -5.957 -0.101 1.00 1.56 N ATOM 441 CA VAL A 32 113.822 -6.180 -1.568 1.00 1.60 C ATOM 442 C VAL A 32 112.673 -5.544 -2.366 1.00 1.53 C ATOM 443 O VAL A 32 111.556 -5.431 -1.900 1.00 1.50 O ATOM 444 CB VAL A 32 113.904 -7.691 -1.824 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.738 -7.997 -3.317 1.00 1.80 C ATOM 446 CG2 VAL A 32 115.265 -8.215 -1.351 1.00 1.83 C ATOM 0 H VAL A 32 112.671 -6.137 0.235 1.00 1.56 H new ATOM 0 HA VAL A 32 114.749 -5.709 -1.895 1.00 1.60 H new ATOM 0 HB VAL A 32 113.101 -8.181 -1.273 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.799 -9.073 -3.477 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.768 -7.634 -3.657 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.529 -7.501 -3.880 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.325 -9.288 -1.532 1.00 1.83 H new ATOM 0 HG22 VAL A 32 116.060 -7.710 -1.899 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.379 -8.020 -0.285 1.00 1.83 H new ATOM 456 N ALA A 33 112.965 -5.112 -3.564 1.00 1.51 N ATOM 457 CA ALA A 33 111.938 -4.452 -4.428 1.00 1.46 C ATOM 458 C ALA A 33 110.563 -5.141 -4.341 1.00 1.53 C ATOM 459 O ALA A 33 110.371 -6.238 -4.826 1.00 1.64 O ATOM 460 CB ALA A 33 112.426 -4.484 -5.889 1.00 1.51 C ATOM 0 H ALA A 33 113.889 -5.190 -3.989 1.00 1.51 H new ATOM 0 HA ALA A 33 111.813 -3.429 -4.074 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.686 -4.006 -6.530 1.00 1.51 H new ATOM 0 HB2 ALA A 33 113.373 -3.951 -5.968 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.564 -5.518 -6.204 1.00 1.51 H new ATOM 466 N GLY A 34 109.599 -4.467 -3.775 1.00 1.46 N ATOM 467 CA GLY A 34 108.217 -5.024 -3.701 1.00 1.52 C ATOM 468 C GLY A 34 108.188 -6.354 -2.957 1.00 1.62 C ATOM 469 O GLY A 34 107.573 -7.302 -3.407 1.00 1.73 O ATOM 0 H GLY A 34 109.711 -3.544 -3.356 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.563 -4.311 -3.199 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.825 -5.161 -4.709 1.00 1.52 H new ATOM 473 N VAL A 35 108.827 -6.434 -1.817 1.00 1.59 N ATOM 474 CA VAL A 35 108.819 -7.707 -1.026 1.00 1.69 C ATOM 475 C VAL A 35 108.367 -7.382 0.420 1.00 1.61 C ATOM 476 O VAL A 35 108.970 -6.533 1.047 1.00 1.55 O ATOM 477 CB VAL A 35 110.240 -8.292 -1.019 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.381 -9.342 0.090 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.513 -8.955 -2.375 1.00 2.19 C ATOM 0 H VAL A 35 109.357 -5.670 -1.397 1.00 1.59 H new ATOM 0 HA VAL A 35 108.135 -8.434 -1.465 1.00 1.69 H new ATOM 0 HB VAL A 35 110.954 -7.489 -0.838 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.393 -9.747 0.081 1.00 2.04 H new ATOM 0 HG12 VAL A 35 110.183 -8.879 1.057 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.667 -10.148 -0.079 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.520 -9.373 -2.379 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.788 -9.752 -2.543 1.00 2.19 H new ATOM 0 HG23 VAL A 35 110.425 -8.212 -3.168 1.00 2.19 H new ATOM 489 N PRO A 36 107.331 -8.038 0.934 1.00 1.67 N ATOM 490 CA PRO A 36 106.870 -7.752 2.307 1.00 1.61 C ATOM 491 C PRO A 36 108.011 -7.992 3.304 1.00 1.61 C ATOM 492 O PRO A 36 108.460 -9.105 3.493 1.00 1.74 O ATOM 493 CB PRO A 36 105.688 -8.722 2.552 1.00 1.76 C ATOM 494 CG PRO A 36 105.498 -9.564 1.258 1.00 1.96 C ATOM 495 CD PRO A 36 106.550 -9.086 0.231 1.00 1.85 C ATOM 0 HA PRO A 36 106.559 -6.715 2.436 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.894 -9.370 3.404 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.779 -8.168 2.785 1.00 1.76 H new ATOM 0 HG2 PRO A 36 105.625 -10.626 1.470 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.491 -9.436 0.862 1.00 1.96 H new ATOM 0 HD2 PRO A 36 107.191 -9.908 -0.088 1.00 1.85 H new ATOM 0 HD3 PRO A 36 106.073 -8.688 -0.665 1.00 1.85 H new ATOM 503 N ALA A 37 108.468 -6.950 3.954 1.00 1.53 N ATOM 504 CA ALA A 37 109.566 -7.094 4.958 1.00 1.62 C ATOM 505 C ALA A 37 108.957 -6.916 6.343 1.00 1.53 C ATOM 506 O ALA A 37 107.925 -6.293 6.491 1.00 1.52 O ATOM 507 CB ALA A 37 110.622 -6.012 4.718 1.00 1.69 C ATOM 0 H ALA A 37 108.124 -5.998 3.830 1.00 1.53 H new ATOM 0 HA ALA A 37 110.039 -8.072 4.872 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.423 -6.117 5.450 1.00 1.69 H new ATOM 0 HB2 ALA A 37 111.032 -6.120 3.714 1.00 1.69 H new ATOM 0 HB3 ALA A 37 110.164 -5.028 4.819 1.00 1.69 H new ATOM 513 N GLU A 38 109.561 -7.455 7.365 1.00 1.50 N ATOM 514 CA GLU A 38 108.956 -7.290 8.712 1.00 1.45 C ATOM 515 C GLU A 38 109.948 -7.634 9.812 1.00 1.50 C ATOM 516 O GLU A 38 111.001 -8.196 9.584 1.00 1.60 O ATOM 517 CB GLU A 38 107.727 -8.210 8.832 1.00 1.54 C ATOM 518 CG GLU A 38 108.158 -9.655 9.131 1.00 1.68 C ATOM 519 CD GLU A 38 107.006 -10.613 8.818 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.058 -10.640 9.586 1.00 2.23 O ATOM 521 OE2 GLU A 38 107.091 -11.304 7.816 1.00 2.12 O ATOM 0 H GLU A 38 110.428 -7.991 7.328 1.00 1.50 H new ATOM 0 HA GLU A 38 108.664 -6.246 8.830 1.00 1.45 H new ATOM 0 HB2 GLU A 38 107.072 -7.849 9.625 1.00 1.54 H new ATOM 0 HB3 GLU A 38 107.153 -8.181 7.906 1.00 1.54 H new ATOM 0 HG2 GLU A 38 109.032 -9.915 8.534 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.448 -9.749 10.178 1.00 1.68 H new ATOM 528 N PHE A 39 109.574 -7.323 11.015 1.00 1.46 N ATOM 529 CA PHE A 39 110.427 -7.643 12.183 1.00 1.54 C ATOM 530 C PHE A 39 109.521 -7.758 13.400 1.00 1.53 C ATOM 531 O PHE A 39 108.344 -7.466 13.337 1.00 1.50 O ATOM 532 CB PHE A 39 111.505 -6.571 12.407 1.00 1.54 C ATOM 533 CG PHE A 39 110.890 -5.194 12.519 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.309 -4.601 11.399 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.925 -4.504 13.739 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.756 -3.319 11.491 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.376 -3.221 13.831 1.00 1.37 C ATOM 538 CZ PHE A 39 109.790 -2.628 12.707 1.00 1.30 C ATOM 0 H PHE A 39 108.698 -6.852 11.242 1.00 1.46 H new ATOM 0 HA PHE A 39 110.953 -8.581 12.007 1.00 1.54 H new ATOM 0 HB2 PHE A 39 112.064 -6.798 13.315 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.217 -6.589 11.581 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.286 -5.132 10.459 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.375 -4.963 14.607 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.303 -2.863 10.623 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.404 -2.688 14.770 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.364 -1.638 12.778 1.00 1.30 H new ATOM 548 N SER A 40 110.051 -8.209 14.494 1.00 1.60 N ATOM 549 CA SER A 40 109.216 -8.385 15.724 1.00 1.61 C ATOM 550 C SER A 40 109.431 -7.221 16.691 1.00 1.59 C ATOM 551 O SER A 40 110.490 -6.628 16.746 1.00 1.64 O ATOM 552 CB SER A 40 109.616 -9.688 16.416 1.00 1.73 C ATOM 553 OG SER A 40 110.925 -9.552 16.954 1.00 2.37 O ATOM 0 H SER A 40 111.032 -8.467 14.598 1.00 1.60 H new ATOM 0 HA SER A 40 108.165 -8.414 15.435 1.00 1.61 H new ATOM 0 HB2 SER A 40 108.907 -9.924 17.210 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.586 -10.514 15.706 1.00 1.73 H new ATOM 0 HG SER A 40 111.569 -9.444 16.224 1.00 2.37 H new ATOM 559 N ILE A 41 108.429 -6.906 17.473 1.00 1.54 N ATOM 560 CA ILE A 41 108.554 -5.798 18.467 1.00 1.54 C ATOM 561 C ILE A 41 107.782 -6.182 19.729 1.00 1.60 C ATOM 562 O ILE A 41 106.569 -6.137 19.760 1.00 1.65 O ATOM 563 CB ILE A 41 107.967 -4.504 17.901 1.00 1.45 C ATOM 564 CG1 ILE A 41 108.514 -4.251 16.491 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.351 -3.334 18.811 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.072 -2.863 16.003 1.00 1.34 C ATOM 0 H ILE A 41 107.522 -7.373 17.465 1.00 1.54 H new ATOM 0 HA ILE A 41 109.608 -5.639 18.694 1.00 1.54 H new ATOM 0 HB ILE A 41 106.882 -4.595 17.852 1.00 1.45 H new ATOM 0 HG12 ILE A 41 109.602 -4.315 16.496 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.152 -5.019 15.807 1.00 1.47 H new ATOM 0 HG21 ILE A 41 107.934 -2.410 18.411 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.956 -3.507 19.812 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.437 -3.252 18.859 1.00 1.50 H new ATOM 0 HD11 ILE A 41 108.463 -2.688 15.001 1.00 1.34 H new ATOM 0 HD12 ILE A 41 106.983 -2.815 15.981 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.455 -2.100 16.680 1.00 1.34 H new ATOM 578 N TRP A 42 108.476 -6.558 20.771 1.00 1.65 N ATOM 579 CA TRP A 42 107.790 -6.946 22.044 1.00 1.71 C ATOM 580 C TRP A 42 107.914 -5.781 23.033 1.00 1.77 C ATOM 581 O TRP A 42 108.682 -4.862 22.829 1.00 1.78 O ATOM 582 CB TRP A 42 108.460 -8.224 22.596 1.00 1.88 C ATOM 583 CG TRP A 42 108.384 -8.278 24.095 1.00 2.08 C ATOM 584 CD1 TRP A 42 109.227 -7.635 24.936 1.00 2.66 C ATOM 585 CD2 TRP A 42 107.435 -8.996 24.937 1.00 2.36 C ATOM 586 NE1 TRP A 42 108.856 -7.911 26.239 1.00 2.89 N ATOM 587 CE2 TRP A 42 107.757 -8.746 26.293 1.00 2.64 C ATOM 588 CE3 TRP A 42 106.337 -9.831 24.661 1.00 3.00 C ATOM 589 CZ2 TRP A 42 107.018 -9.304 27.336 1.00 3.08 C ATOM 590 CZ3 TRP A 42 105.591 -10.394 25.709 1.00 3.68 C ATOM 591 CH2 TRP A 42 105.930 -10.131 27.043 1.00 3.56 C ATOM 0 H TRP A 42 109.494 -6.614 20.797 1.00 1.65 H new ATOM 0 HA TRP A 42 106.733 -7.154 21.879 1.00 1.71 H new ATOM 0 HB2 TRP A 42 107.974 -9.103 22.173 1.00 1.88 H new ATOM 0 HB3 TRP A 42 109.503 -8.255 22.282 1.00 1.88 H new ATOM 0 HD1 TRP A 42 110.055 -7.008 24.638 1.00 2.66 H new ATOM 0 HE1 TRP A 42 109.336 -7.543 27.060 1.00 2.89 H new ATOM 0 HE3 TRP A 42 106.066 -10.040 23.637 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 107.284 -9.099 28.362 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 104.750 -11.034 25.485 1.00 3.68 H new ATOM 0 HH2 TRP A 42 105.351 -10.567 27.844 1.00 3.56 H new ATOM 602 N THR A 43 107.158 -5.806 24.098 1.00 1.91 N ATOM 603 CA THR A 43 107.233 -4.693 25.088 1.00 2.07 C ATOM 604 C THR A 43 106.820 -5.200 26.471 1.00 1.92 C ATOM 605 O THR A 43 105.805 -5.849 26.628 1.00 2.17 O ATOM 606 CB THR A 43 106.285 -3.569 24.655 1.00 2.42 C ATOM 607 OG1 THR A 43 104.991 -4.109 24.426 1.00 2.72 O ATOM 608 CG2 THR A 43 106.802 -2.918 23.370 1.00 2.89 C ATOM 0 H THR A 43 106.494 -6.546 24.325 1.00 1.91 H new ATOM 0 HA THR A 43 108.255 -4.318 25.134 1.00 2.07 H new ATOM 0 HB THR A 43 106.235 -2.816 25.441 1.00 2.42 H new ATOM 0 HG1 THR A 43 104.876 -4.921 24.963 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.124 -2.120 23.068 1.00 2.89 H new ATOM 0 HG22 THR A 43 107.794 -2.503 23.546 1.00 2.89 H new ATOM 0 HG23 THR A 43 106.857 -3.666 22.579 1.00 2.89 H new ATOM 616 N ARG A 44 107.599 -4.906 27.478 1.00 1.96 N ATOM 617 CA ARG A 44 107.248 -5.369 28.851 1.00 1.92 C ATOM 618 C ARG A 44 106.060 -4.554 29.376 1.00 1.92 C ATOM 619 O ARG A 44 104.924 -4.959 29.234 1.00 2.18 O ATOM 620 CB ARG A 44 108.457 -5.210 29.782 1.00 2.09 C ATOM 621 CG ARG A 44 108.198 -5.965 31.087 1.00 2.62 C ATOM 622 CD ARG A 44 109.289 -5.620 32.102 1.00 3.00 C ATOM 623 NE ARG A 44 110.623 -5.972 31.538 1.00 3.63 N ATOM 624 CZ ARG A 44 111.708 -5.497 32.084 1.00 4.14 C ATOM 625 NH1 ARG A 44 111.627 -4.712 33.124 1.00 4.51 N ATOM 626 NH2 ARG A 44 112.876 -5.806 31.590 1.00 4.63 N ATOM 0 H ARG A 44 108.462 -4.366 27.409 1.00 1.96 H new ATOM 0 HA ARG A 44 106.971 -6.423 28.819 1.00 1.92 H new ATOM 0 HB2 ARG A 44 109.355 -5.595 29.299 1.00 2.09 H new ATOM 0 HB3 ARG A 44 108.634 -4.155 29.989 1.00 2.09 H new ATOM 0 HG2 ARG A 44 107.219 -5.699 31.485 1.00 2.62 H new ATOM 0 HG3 ARG A 44 108.186 -7.039 30.902 1.00 2.62 H new ATOM 0 HD2 ARG A 44 109.253 -4.558 32.343 1.00 3.00 H new ATOM 0 HD3 ARG A 44 109.121 -6.164 33.032 1.00 3.00 H new ATOM 0 HE ARG A 44 110.687 -6.584 30.725 1.00 3.63 H new ATOM 0 HH11 ARG A 44 110.715 -4.470 33.510 1.00 4.51 H new ATOM 0 HH12 ARG A 44 112.476 -4.341 33.550 1.00 4.51 H new ATOM 0 HH21 ARG A 44 112.940 -6.419 30.777 1.00 4.63 H new ATOM 0 HH22 ARG A 44 113.725 -5.435 32.017 1.00 4.63 H new ATOM 640 N GLU A 45 106.296 -3.409 29.974 1.00 1.87 N ATOM 641 CA GLU A 45 105.149 -2.604 30.490 1.00 1.94 C ATOM 642 C GLU A 45 105.620 -1.226 30.974 1.00 1.84 C ATOM 643 O GLU A 45 105.491 -0.900 32.137 1.00 1.87 O ATOM 644 CB GLU A 45 104.497 -3.340 31.663 1.00 2.09 C ATOM 645 CG GLU A 45 103.142 -2.702 31.966 1.00 2.37 C ATOM 646 CD GLU A 45 102.619 -3.219 33.308 1.00 2.40 C ATOM 647 OE1 GLU A 45 103.244 -2.930 34.315 1.00 2.73 O ATOM 648 OE2 GLU A 45 101.605 -3.896 33.305 1.00 2.89 O ATOM 0 H GLU A 45 107.220 -3.004 30.124 1.00 1.87 H new ATOM 0 HA GLU A 45 104.434 -2.470 29.679 1.00 1.94 H new ATOM 0 HB2 GLU A 45 104.369 -4.395 31.420 1.00 2.09 H new ATOM 0 HB3 GLU A 45 105.140 -3.291 32.542 1.00 2.09 H new ATOM 0 HG2 GLU A 45 103.238 -1.617 31.996 1.00 2.37 H new ATOM 0 HG3 GLU A 45 102.432 -2.937 31.173 1.00 2.37 H new ATOM 655 N ALA A 46 106.142 -0.402 30.103 1.00 1.74 N ATOM 656 CA ALA A 46 106.581 0.953 30.553 1.00 1.71 C ATOM 657 C ALA A 46 105.339 1.792 30.856 1.00 1.64 C ATOM 658 O ALA A 46 105.212 2.373 31.916 1.00 1.71 O ATOM 659 CB ALA A 46 107.420 1.630 29.450 1.00 1.66 C ATOM 0 H ALA A 46 106.282 -0.604 29.113 1.00 1.74 H new ATOM 0 HA ALA A 46 107.196 0.865 31.448 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.735 2.617 29.787 1.00 1.66 H new ATOM 0 HB2 ALA A 46 108.299 1.022 29.236 1.00 1.66 H new ATOM 0 HB3 ALA A 46 106.819 1.730 28.546 1.00 1.66 H new ATOM 665 N GLY A 47 104.422 1.862 29.931 1.00 1.60 N ATOM 666 CA GLY A 47 103.190 2.665 30.164 1.00 1.58 C ATOM 667 C GLY A 47 102.600 3.097 28.819 1.00 1.42 C ATOM 668 O GLY A 47 103.219 2.948 27.784 1.00 1.37 O ATOM 0 H GLY A 47 104.473 1.398 29.024 1.00 1.60 H new ATOM 0 HA2 GLY A 47 102.460 2.078 30.721 1.00 1.58 H new ATOM 0 HA3 GLY A 47 103.423 3.541 30.769 1.00 1.58 H new ATOM 672 N ALA A 48 101.409 3.631 28.824 1.00 1.40 N ATOM 673 CA ALA A 48 100.783 4.071 27.545 1.00 1.27 C ATOM 674 C ALA A 48 101.735 5.019 26.814 1.00 1.21 C ATOM 675 O ALA A 48 102.433 5.805 27.425 1.00 1.37 O ATOM 676 CB ALA A 48 99.471 4.798 27.844 1.00 1.32 C ATOM 0 H ALA A 48 100.842 3.782 29.659 1.00 1.40 H new ATOM 0 HA ALA A 48 100.582 3.201 26.919 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.012 5.120 26.909 1.00 1.32 H new ATOM 0 HB2 ALA A 48 98.793 4.124 28.368 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.672 5.668 28.469 1.00 1.32 H new ATOM 682 N GLY A 49 101.771 4.952 25.512 1.00 1.04 N ATOM 683 CA GLY A 49 102.679 5.851 24.745 1.00 1.02 C ATOM 684 C GLY A 49 102.255 5.873 23.276 1.00 0.87 C ATOM 685 O GLY A 49 101.194 5.395 22.921 1.00 0.71 O ATOM 0 H GLY A 49 101.211 4.314 24.946 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.645 6.859 25.159 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.709 5.505 24.832 1.00 1.02 H new ATOM 689 N GLY A 50 103.077 6.423 22.417 1.00 0.98 N ATOM 690 CA GLY A 50 102.730 6.482 20.963 1.00 0.86 C ATOM 691 C GLY A 50 103.966 6.138 20.136 1.00 0.86 C ATOM 692 O GLY A 50 104.963 6.832 20.172 1.00 1.06 O ATOM 0 H GLY A 50 103.977 6.835 22.661 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.924 5.783 20.741 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.370 7.477 20.703 1.00 0.86 H new ATOM 696 N LEU A 51 103.909 5.072 19.385 1.00 0.74 N ATOM 697 CA LEU A 51 105.079 4.682 18.548 1.00 0.75 C ATOM 698 C LEU A 51 104.978 5.398 17.209 1.00 0.68 C ATOM 699 O LEU A 51 104.259 4.969 16.337 1.00 0.60 O ATOM 700 CB LEU A 51 105.061 3.165 18.324 1.00 0.74 C ATOM 701 CG LEU A 51 106.409 2.695 17.737 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.433 2.477 18.859 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.210 1.374 16.985 1.00 0.77 C ATOM 0 H LEU A 51 103.101 4.453 19.315 1.00 0.74 H new ATOM 0 HA LEU A 51 106.007 4.959 19.048 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.869 2.653 19.267 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.249 2.900 17.647 1.00 0.74 H new ATOM 0 HG LEU A 51 106.777 3.462 17.056 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.378 2.146 18.429 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.587 3.412 19.398 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.062 1.718 19.548 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.163 1.044 16.571 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.831 0.618 17.672 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.494 1.520 16.176 1.00 0.77 H new ATOM 715 N SER A 52 105.695 6.484 17.046 1.00 0.75 N ATOM 716 CA SER A 52 105.651 7.245 15.766 1.00 0.71 C ATOM 717 C SER A 52 106.622 6.605 14.779 1.00 0.70 C ATOM 718 O SER A 52 107.695 6.182 15.165 1.00 0.78 O ATOM 719 CB SER A 52 106.068 8.693 16.026 1.00 0.82 C ATOM 720 OG SER A 52 105.334 9.202 17.131 1.00 1.56 O ATOM 0 H SER A 52 106.314 6.876 17.755 1.00 0.75 H new ATOM 0 HA SER A 52 104.642 7.227 15.355 1.00 0.71 H new ATOM 0 HB2 SER A 52 107.137 8.744 16.230 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.883 9.301 15.141 1.00 0.82 H new ATOM 0 HG SER A 52 105.600 10.130 17.301 1.00 1.56 H new ATOM 726 N ILE A 53 106.267 6.522 13.510 1.00 0.61 N ATOM 727 CA ILE A 53 107.188 5.900 12.511 1.00 0.61 C ATOM 728 C ILE A 53 107.330 6.830 11.304 1.00 0.57 C ATOM 729 O ILE A 53 106.401 7.023 10.544 1.00 0.65 O ATOM 730 CB ILE A 53 106.608 4.561 12.052 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.395 3.656 13.268 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.581 3.888 11.081 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.580 2.428 12.856 1.00 0.64 C ATOM 0 H ILE A 53 105.382 6.859 13.132 1.00 0.61 H new ATOM 0 HA ILE A 53 108.165 5.739 12.966 1.00 0.61 H new ATOM 0 HB ILE A 53 105.655 4.730 11.551 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.357 3.346 13.677 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.875 4.203 14.055 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.167 2.934 10.754 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.735 4.532 10.215 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.535 3.718 11.581 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.429 1.784 13.722 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.613 2.747 12.468 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.117 1.877 12.084 1.00 0.64 H new ATOM 745 N ALA A 54 108.492 7.403 11.119 1.00 0.60 N ATOM 746 CA ALA A 54 108.715 8.320 9.961 1.00 0.57 C ATOM 747 C ALA A 54 109.463 7.562 8.865 1.00 0.54 C ATOM 748 O ALA A 54 110.640 7.282 8.985 1.00 0.63 O ATOM 749 CB ALA A 54 109.549 9.521 10.418 1.00 0.69 C ATOM 0 H ALA A 54 109.302 7.274 11.725 1.00 0.60 H new ATOM 0 HA ALA A 54 107.758 8.672 9.576 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.713 10.192 9.575 1.00 0.69 H new ATOM 0 HB2 ALA A 54 109.018 10.053 11.207 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.510 9.173 10.798 1.00 0.69 H new ATOM 755 N VAL A 55 108.784 7.223 7.801 1.00 0.45 N ATOM 756 CA VAL A 55 109.435 6.475 6.682 1.00 0.47 C ATOM 757 C VAL A 55 109.703 7.435 5.519 1.00 0.41 C ATOM 758 O VAL A 55 108.856 8.220 5.144 1.00 0.39 O ATOM 759 CB VAL A 55 108.495 5.344 6.209 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.795 4.051 6.976 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.038 5.746 6.460 1.00 0.79 C ATOM 0 H VAL A 55 107.797 7.434 7.657 1.00 0.45 H new ATOM 0 HA VAL A 55 110.377 6.047 7.026 1.00 0.47 H new ATOM 0 HB VAL A 55 108.656 5.178 5.144 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.126 3.261 6.634 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.828 3.754 6.798 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.644 4.217 8.043 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.377 4.946 6.125 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.887 5.920 7.525 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.812 6.658 5.908 1.00 0.79 H new ATOM 771 N GLU A 56 110.873 7.366 4.935 1.00 0.44 N ATOM 772 CA GLU A 56 111.198 8.257 3.781 1.00 0.40 C ATOM 773 C GLU A 56 111.937 7.422 2.731 1.00 0.43 C ATOM 774 O GLU A 56 112.746 6.576 3.053 1.00 0.52 O ATOM 775 CB GLU A 56 112.064 9.433 4.272 1.00 0.47 C ATOM 776 CG GLU A 56 112.816 10.082 3.099 1.00 0.49 C ATOM 777 CD GLU A 56 113.431 11.405 3.558 1.00 1.08 C ATOM 778 OE1 GLU A 56 113.061 11.871 4.623 1.00 1.80 O ATOM 779 OE2 GLU A 56 114.262 11.931 2.836 1.00 1.71 O ATOM 0 H GLU A 56 111.620 6.728 5.210 1.00 0.44 H new ATOM 0 HA GLU A 56 110.293 8.671 3.337 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.434 10.175 4.762 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.777 9.080 5.017 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.596 9.412 2.738 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.134 10.255 2.267 1.00 0.49 H new ATOM 786 N GLY A 57 111.652 7.637 1.479 1.00 0.41 N ATOM 787 CA GLY A 57 112.327 6.844 0.417 1.00 0.49 C ATOM 788 C GLY A 57 111.619 7.080 -0.923 1.00 0.45 C ATOM 789 O GLY A 57 110.764 7.935 -1.015 1.00 0.44 O ATOM 0 H GLY A 57 110.980 8.328 1.145 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.375 7.133 0.343 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.306 5.784 0.670 1.00 0.49 H new ATOM 793 N PRO A 58 112.002 6.323 -1.929 1.00 0.50 N ATOM 794 CA PRO A 58 111.407 6.454 -3.274 1.00 0.52 C ATOM 795 C PRO A 58 109.910 6.124 -3.263 1.00 0.54 C ATOM 796 O PRO A 58 109.152 6.660 -4.046 1.00 0.56 O ATOM 797 CB PRO A 58 112.189 5.455 -4.153 1.00 0.63 C ATOM 798 CG PRO A 58 113.288 4.806 -3.261 1.00 0.66 C ATOM 799 CD PRO A 58 113.058 5.295 -1.816 1.00 0.60 C ATOM 0 HA PRO A 58 111.479 7.475 -3.648 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.521 4.693 -4.554 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.639 5.965 -5.005 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.231 3.719 -3.312 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.281 5.090 -3.609 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.746 4.477 -1.167 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.971 5.711 -1.389 1.00 0.60 H new ATOM 807 N SER A 59 109.478 5.245 -2.398 1.00 0.56 N ATOM 808 CA SER A 59 108.021 4.884 -2.361 1.00 0.60 C ATOM 809 C SER A 59 107.536 4.788 -0.916 1.00 0.55 C ATOM 810 O SER A 59 108.305 4.577 0.000 1.00 0.55 O ATOM 811 CB SER A 59 107.823 3.537 -3.048 1.00 0.71 C ATOM 812 OG SER A 59 106.438 3.218 -3.068 1.00 1.55 O ATOM 0 H SER A 59 110.063 4.761 -1.717 1.00 0.56 H new ATOM 0 HA SER A 59 107.449 5.656 -2.876 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.214 3.574 -4.065 1.00 0.71 H new ATOM 0 HB3 SER A 59 108.379 2.762 -2.520 1.00 0.71 H new ATOM 0 HG SER A 59 106.174 2.965 -3.977 1.00 1.55 H new ATOM 818 N LYS A 60 106.255 4.938 -0.713 1.00 0.59 N ATOM 819 CA LYS A 60 105.698 4.853 0.665 1.00 0.57 C ATOM 820 C LYS A 60 105.536 3.382 1.049 1.00 0.63 C ATOM 821 O LYS A 60 104.870 2.626 0.371 1.00 0.73 O ATOM 822 CB LYS A 60 104.328 5.546 0.712 1.00 0.63 C ATOM 823 CG LYS A 60 104.377 6.859 -0.080 1.00 1.23 C ATOM 824 CD LYS A 60 103.001 7.547 -0.041 1.00 1.29 C ATOM 825 CE LYS A 60 102.833 8.333 1.265 1.00 1.87 C ATOM 826 NZ LYS A 60 101.588 9.149 1.193 1.00 2.53 N ATOM 0 H LYS A 60 105.569 5.116 -1.446 1.00 0.59 H new ATOM 0 HA LYS A 60 106.375 5.345 1.363 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.564 4.889 0.296 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.048 5.746 1.746 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.135 7.519 0.341 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.665 6.660 -1.112 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.899 8.219 -0.893 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.211 6.800 -0.128 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.784 7.648 2.111 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.696 8.979 1.428 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.471 9.683 2.078 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 101.653 9.812 0.394 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 100.769 8.522 1.057 1.00 2.53 H new ATOM 840 N ALA A 61 106.138 2.967 2.130 1.00 0.66 N ATOM 841 CA ALA A 61 106.013 1.541 2.552 1.00 0.76 C ATOM 842 C ALA A 61 104.743 1.370 3.388 1.00 0.77 C ATOM 843 O ALA A 61 104.367 2.250 4.137 1.00 0.78 O ATOM 844 CB ALA A 61 107.234 1.147 3.385 1.00 0.82 C ATOM 0 H ALA A 61 106.710 3.552 2.739 1.00 0.66 H new ATOM 0 HA ALA A 61 105.956 0.902 1.671 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.143 0.106 3.694 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.137 1.271 2.788 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.293 1.783 4.268 1.00 0.82 H new ATOM 850 N GLU A 62 104.067 0.248 3.266 1.00 0.88 N ATOM 851 CA GLU A 62 102.808 0.041 4.058 1.00 0.93 C ATOM 852 C GLU A 62 103.097 -0.758 5.330 1.00 0.96 C ATOM 853 O GLU A 62 103.203 -1.968 5.306 1.00 1.43 O ATOM 854 CB GLU A 62 101.760 -0.706 3.224 1.00 1.11 C ATOM 855 CG GLU A 62 101.306 0.170 2.053 1.00 1.50 C ATOM 856 CD GLU A 62 102.490 0.446 1.125 1.00 1.72 C ATOM 857 OE1 GLU A 62 103.051 -0.507 0.611 1.00 2.30 O ATOM 858 OE2 GLU A 62 102.816 1.608 0.944 1.00 2.14 O ATOM 0 H GLU A 62 104.330 -0.527 2.657 1.00 0.88 H new ATOM 0 HA GLU A 62 102.420 1.023 4.328 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.179 -1.640 2.850 1.00 1.11 H new ATOM 0 HB3 GLU A 62 100.905 -0.967 3.847 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.508 -0.328 1.502 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.898 1.109 2.426 1.00 1.50 H new ATOM 865 N ILE A 63 103.198 -0.070 6.439 1.00 0.97 N ATOM 866 CA ILE A 63 103.450 -0.732 7.754 1.00 0.94 C ATOM 867 C ILE A 63 102.270 -1.663 8.070 1.00 1.01 C ATOM 868 O ILE A 63 101.176 -1.470 7.577 1.00 1.06 O ATOM 869 CB ILE A 63 103.578 0.372 8.830 1.00 0.89 C ATOM 870 CG1 ILE A 63 105.017 0.904 8.851 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.219 -0.171 10.221 1.00 1.28 C ATOM 872 CD1 ILE A 63 105.347 1.537 7.498 1.00 1.40 C ATOM 0 H ILE A 63 103.114 0.945 6.488 1.00 0.97 H new ATOM 0 HA ILE A 63 104.366 -1.322 7.732 1.00 0.94 H new ATOM 0 HB ILE A 63 102.885 1.176 8.580 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.132 1.640 9.647 1.00 1.06 H new ATOM 0 HG13 ILE A 63 105.713 0.093 9.064 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.317 0.625 10.959 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.192 -0.536 10.215 1.00 1.28 H new ATOM 0 HG23 ILE A 63 103.893 -0.988 10.478 1.00 1.28 H new ATOM 0 HD11 ILE A 63 106.369 1.915 7.513 1.00 1.40 H new ATOM 0 HD12 ILE A 63 105.248 0.788 6.712 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.659 2.360 7.304 1.00 1.40 H new ATOM 884 N ALA A 64 102.478 -2.670 8.890 1.00 1.04 N ATOM 885 CA ALA A 64 101.359 -3.601 9.232 1.00 1.13 C ATOM 886 C ALA A 64 101.449 -3.975 10.714 1.00 1.14 C ATOM 887 O ALA A 64 102.381 -3.607 11.399 1.00 1.36 O ATOM 888 CB ALA A 64 101.462 -4.866 8.370 1.00 1.26 C ATOM 0 H ALA A 64 103.371 -2.884 9.334 1.00 1.04 H new ATOM 0 HA ALA A 64 100.404 -3.113 9.038 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.646 -5.544 8.620 1.00 1.26 H new ATOM 0 HB2 ALA A 64 101.398 -4.594 7.316 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.415 -5.359 8.561 1.00 1.26 H new ATOM 894 N PHE A 65 100.487 -4.707 11.212 1.00 1.16 N ATOM 895 CA PHE A 65 100.512 -5.109 12.651 1.00 1.16 C ATOM 896 C PHE A 65 99.873 -6.490 12.804 1.00 1.28 C ATOM 897 O PHE A 65 98.701 -6.674 12.538 1.00 1.35 O ATOM 898 CB PHE A 65 99.722 -4.092 13.478 1.00 1.11 C ATOM 899 CG PHE A 65 98.337 -3.938 12.897 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.122 -3.070 11.820 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.268 -4.664 13.435 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.838 -2.928 11.280 1.00 1.37 C ATOM 903 CE2 PHE A 65 95.984 -4.522 12.896 1.00 1.43 C ATOM 904 CZ PHE A 65 95.769 -3.654 11.819 1.00 1.47 C ATOM 0 H PHE A 65 99.683 -5.045 10.683 1.00 1.16 H new ATOM 0 HA PHE A 65 101.544 -5.142 13.001 1.00 1.16 H new ATOM 0 HB2 PHE A 65 99.658 -4.421 14.515 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.236 -3.131 13.480 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.947 -2.510 11.405 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.434 -5.334 14.266 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.672 -2.259 10.448 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.159 -5.082 13.311 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.778 -3.544 11.404 1.00 1.47 H new ATOM 914 N GLU A 66 100.635 -7.466 13.230 1.00 1.35 N ATOM 915 CA GLU A 66 100.078 -8.843 13.403 1.00 1.50 C ATOM 916 C GLU A 66 100.673 -9.481 14.661 1.00 1.54 C ATOM 917 O GLU A 66 101.875 -9.527 14.837 1.00 1.61 O ATOM 918 CB GLU A 66 100.439 -9.694 12.184 1.00 1.62 C ATOM 919 CG GLU A 66 99.783 -11.070 12.310 1.00 1.80 C ATOM 920 CD GLU A 66 100.070 -11.891 11.051 1.00 1.94 C ATOM 921 OE1 GLU A 66 101.041 -11.587 10.378 1.00 2.51 O ATOM 922 OE2 GLU A 66 99.314 -12.809 10.781 1.00 2.01 O ATOM 0 H GLU A 66 101.622 -7.368 13.466 1.00 1.35 H new ATOM 0 HA GLU A 66 98.994 -8.786 13.502 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.103 -9.202 11.271 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.521 -9.801 12.109 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.166 -11.588 13.189 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.707 -10.960 12.448 1.00 1.80 H new ATOM 1006 N SER A 72 103.901 -10.484 21.573 1.00 1.78 N ATOM 1007 CA SER A 72 104.931 -9.773 20.757 1.00 1.72 C ATOM 1008 C SER A 72 104.236 -9.072 19.589 1.00 1.60 C ATOM 1009 O SER A 72 103.394 -9.644 18.926 1.00 1.64 O ATOM 1010 CB SER A 72 105.940 -10.785 20.215 1.00 1.82 C ATOM 1011 OG SER A 72 106.841 -10.125 19.336 1.00 2.20 O ATOM 0 HA SER A 72 105.452 -9.041 21.374 1.00 1.72 H new ATOM 0 HB2 SER A 72 106.488 -11.246 21.037 1.00 1.82 H new ATOM 0 HB3 SER A 72 105.422 -11.586 19.689 1.00 1.82 H new ATOM 0 HG SER A 72 107.491 -10.771 18.988 1.00 2.20 H new ATOM 1017 N CYS A 73 104.574 -7.836 19.332 1.00 1.50 N ATOM 1018 CA CYS A 73 103.919 -7.101 18.203 1.00 1.40 C ATOM 1019 C CYS A 73 104.764 -7.246 16.936 1.00 1.37 C ATOM 1020 O CYS A 73 105.946 -6.962 16.929 1.00 1.39 O ATOM 1021 CB CYS A 73 103.787 -5.620 18.564 1.00 1.31 C ATOM 1022 SG CYS A 73 102.792 -4.779 17.307 1.00 2.05 S ATOM 0 H CYS A 73 105.272 -7.303 19.851 1.00 1.50 H new ATOM 0 HA CYS A 73 102.929 -7.520 18.026 1.00 1.40 H new ATOM 0 HB2 CYS A 73 103.321 -5.514 19.543 1.00 1.31 H new ATOM 0 HB3 CYS A 73 104.774 -5.161 18.629 1.00 1.31 H new ATOM 0 HG CYS A 73 102.678 -3.521 17.614 1.00 2.05 H new ATOM 1028 N GLY A 74 104.164 -7.694 15.860 1.00 1.39 N ATOM 1029 CA GLY A 74 104.919 -7.870 14.579 1.00 1.38 C ATOM 1030 C GLY A 74 104.604 -6.714 13.627 1.00 1.28 C ATOM 1031 O GLY A 74 103.469 -6.497 13.250 1.00 1.26 O ATOM 0 H GLY A 74 103.177 -7.947 15.814 1.00 1.39 H new ATOM 0 HA2 GLY A 74 105.990 -7.906 14.780 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.649 -8.819 14.115 1.00 1.38 H new ATOM 1035 N VAL A 75 105.608 -5.975 13.231 1.00 1.25 N ATOM 1036 CA VAL A 75 105.396 -4.827 12.292 1.00 1.16 C ATOM 1037 C VAL A 75 105.883 -5.232 10.900 1.00 1.20 C ATOM 1038 O VAL A 75 107.041 -5.543 10.705 1.00 1.25 O ATOM 1039 CB VAL A 75 106.196 -3.617 12.797 1.00 1.11 C ATOM 1040 CG1 VAL A 75 106.268 -2.543 11.708 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.510 -3.038 14.040 1.00 1.57 C ATOM 0 H VAL A 75 106.576 -6.117 13.520 1.00 1.25 H new ATOM 0 HA VAL A 75 104.339 -4.565 12.243 1.00 1.16 H new ATOM 0 HB VAL A 75 107.207 -3.937 13.049 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.837 -1.689 12.076 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.758 -2.953 10.825 1.00 1.31 H new ATOM 0 HG13 VAL A 75 105.260 -2.221 11.447 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.076 -2.179 14.401 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.498 -2.725 13.784 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.468 -3.798 14.820 1.00 1.57 H new ATOM 1051 N SER A 76 104.998 -5.229 9.932 1.00 1.22 N ATOM 1052 CA SER A 76 105.384 -5.615 8.537 1.00 1.29 C ATOM 1053 C SER A 76 105.273 -4.392 7.622 1.00 1.19 C ATOM 1054 O SER A 76 104.232 -3.773 7.522 1.00 1.20 O ATOM 1055 CB SER A 76 104.436 -6.725 8.037 1.00 1.40 C ATOM 1056 OG SER A 76 103.535 -6.194 7.071 1.00 1.85 O ATOM 0 H SER A 76 104.017 -4.974 10.049 1.00 1.22 H new ATOM 0 HA SER A 76 106.411 -5.981 8.526 1.00 1.29 H new ATOM 0 HB2 SER A 76 105.014 -7.539 7.599 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.879 -7.144 8.875 1.00 1.40 H new ATOM 0 HG SER A 76 102.937 -6.904 6.757 1.00 1.85 H new ATOM 1062 N TYR A 77 106.341 -4.053 6.945 1.00 1.21 N ATOM 1063 CA TYR A 77 106.325 -2.881 6.013 1.00 1.12 C ATOM 1064 C TYR A 77 106.731 -3.367 4.621 1.00 1.20 C ATOM 1065 O TYR A 77 107.708 -4.074 4.473 1.00 1.43 O ATOM 1066 CB TYR A 77 107.321 -1.826 6.504 1.00 1.07 C ATOM 1067 CG TYR A 77 108.721 -2.389 6.468 1.00 1.14 C ATOM 1068 CD1 TYR A 77 109.208 -3.129 7.552 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.534 -2.167 5.351 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.508 -3.647 7.518 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.834 -2.684 5.317 1.00 1.28 C ATOM 1072 CZ TYR A 77 111.321 -3.424 6.401 1.00 1.39 C ATOM 1073 OH TYR A 77 112.603 -3.934 6.368 1.00 1.54 O ATOM 0 H TYR A 77 107.234 -4.543 6.998 1.00 1.21 H new ATOM 0 HA TYR A 77 105.329 -2.439 5.978 1.00 1.12 H new ATOM 0 HB2 TYR A 77 107.261 -0.936 5.877 1.00 1.07 H new ATOM 0 HB3 TYR A 77 107.069 -1.519 7.519 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.581 -3.300 8.414 1.00 1.33 H new ATOM 0 HD2 TYR A 77 109.158 -1.596 4.515 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.884 -4.219 8.354 1.00 1.47 H new ATOM 0 HE2 TYR A 77 111.461 -2.512 4.455 1.00 1.28 H new ATOM 0 HH TYR A 77 113.037 -3.784 7.234 1.00 1.54 H new ATOM 1083 N VAL A 78 105.987 -3.007 3.598 1.00 1.13 N ATOM 1084 CA VAL A 78 106.337 -3.471 2.211 1.00 1.21 C ATOM 1085 C VAL A 78 106.916 -2.306 1.412 1.00 1.14 C ATOM 1086 O VAL A 78 106.257 -1.316 1.174 1.00 1.11 O ATOM 1087 CB VAL A 78 105.075 -4.001 1.511 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.125 -2.839 1.175 1.00 1.81 C ATOM 1089 CG2 VAL A 78 105.477 -4.726 0.220 1.00 1.90 C ATOM 0 H VAL A 78 105.158 -2.416 3.661 1.00 1.13 H new ATOM 0 HA VAL A 78 107.077 -4.269 2.273 1.00 1.21 H new ATOM 0 HB VAL A 78 104.562 -4.694 2.178 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.235 -3.228 0.680 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.835 -2.329 2.094 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.630 -2.136 0.513 1.00 1.81 H new ATOM 0 HG21 VAL A 78 104.584 -5.103 -0.279 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.996 -4.032 -0.441 1.00 1.90 H new ATOM 0 HG23 VAL A 78 106.137 -5.559 0.461 1.00 1.90 H new ATOM 1099 N VAL A 79 108.148 -2.417 0.994 1.00 1.17 N ATOM 1100 CA VAL A 79 108.776 -1.315 0.206 1.00 1.11 C ATOM 1101 C VAL A 79 108.516 -1.557 -1.283 1.00 1.15 C ATOM 1102 O VAL A 79 108.179 -2.650 -1.689 1.00 1.24 O ATOM 1103 CB VAL A 79 110.288 -1.297 0.480 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.573 -0.524 1.788 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.790 -2.743 0.609 1.00 1.27 C ATOM 0 H VAL A 79 108.748 -3.224 1.164 1.00 1.17 H new ATOM 0 HA VAL A 79 108.349 -0.355 0.496 1.00 1.11 H new ATOM 0 HB VAL A 79 110.805 -0.802 -0.342 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.646 -0.514 1.978 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.212 0.500 1.692 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.062 -1.012 2.618 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.862 -2.740 0.804 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.273 -3.235 1.433 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.591 -3.281 -0.318 1.00 1.27 H new ATOM 1115 N GLN A 80 108.659 -0.544 -2.103 1.00 1.10 N ATOM 1116 CA GLN A 80 108.400 -0.718 -3.564 1.00 1.15 C ATOM 1117 C GLN A 80 109.709 -0.952 -4.324 1.00 1.17 C ATOM 1118 O GLN A 80 109.809 -1.876 -5.107 1.00 1.25 O ATOM 1119 CB GLN A 80 107.717 0.543 -4.112 1.00 1.11 C ATOM 1120 CG GLN A 80 106.987 0.214 -5.419 1.00 1.18 C ATOM 1121 CD GLN A 80 105.720 -0.585 -5.109 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.439 -0.886 -3.870 1.00 2.47 O flip ATOM 1123 NE2 GLN A 80 104.977 -0.939 -6.003 1.00 2.48 N flip ATOM 0 H GLN A 80 108.944 0.394 -1.823 1.00 1.10 H new ATOM 0 HA GLN A 80 107.755 -1.586 -3.702 1.00 1.15 H new ATOM 0 HB2 GLN A 80 107.011 0.933 -3.379 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.459 1.323 -4.286 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.730 1.133 -5.946 1.00 1.18 H new ATOM 0 HG3 GLN A 80 107.639 -0.359 -6.078 1.00 1.18 H new ATOM 0 HE21 GLN A 80 105.196 -0.704 -6.971 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.134 -1.471 -5.785 1.00 2.48 H new ATOM 1132 N GLU A 81 110.707 -0.110 -4.140 1.00 1.11 N ATOM 1133 CA GLU A 81 111.986 -0.298 -4.909 1.00 1.13 C ATOM 1134 C GLU A 81 113.223 0.110 -4.072 1.00 1.07 C ATOM 1135 O GLU A 81 113.132 0.994 -3.243 1.00 0.98 O ATOM 1136 CB GLU A 81 111.940 0.583 -6.168 1.00 1.11 C ATOM 1137 CG GLU A 81 110.903 0.048 -7.163 1.00 1.43 C ATOM 1138 CD GLU A 81 111.311 -1.344 -7.651 1.00 1.37 C ATOM 1139 OE1 GLU A 81 112.460 -1.505 -8.028 1.00 1.92 O ATOM 1140 OE2 GLU A 81 110.468 -2.226 -7.639 1.00 1.65 O ATOM 0 H GLU A 81 110.692 0.686 -3.502 1.00 1.11 H new ATOM 0 HA GLU A 81 112.075 -1.354 -5.165 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.692 1.608 -5.892 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.923 0.608 -6.637 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.922 0.003 -6.689 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.816 0.728 -8.010 1.00 1.43 H new ATOM 1147 N PRO A 82 114.363 -0.531 -4.334 1.00 1.14 N ATOM 1148 CA PRO A 82 115.634 -0.231 -3.646 1.00 1.14 C ATOM 1149 C PRO A 82 115.824 1.246 -3.348 1.00 1.00 C ATOM 1150 O PRO A 82 115.133 2.107 -3.857 1.00 0.91 O ATOM 1151 CB PRO A 82 116.698 -0.743 -4.619 1.00 1.23 C ATOM 1152 CG PRO A 82 116.023 -1.890 -5.385 1.00 1.30 C ATOM 1153 CD PRO A 82 114.505 -1.623 -5.327 1.00 1.26 C ATOM 0 HA PRO A 82 115.678 -0.702 -2.664 1.00 1.14 H new ATOM 0 HB2 PRO A 82 117.024 0.046 -5.297 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.583 -1.092 -4.087 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.371 -1.925 -6.417 1.00 1.30 H new ATOM 0 HG3 PRO A 82 116.265 -2.853 -4.934 1.00 1.30 H new ATOM 0 HD2 PRO A 82 114.115 -1.328 -6.301 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.956 -2.513 -5.021 1.00 1.26 H new ATOM 1161 N GLY A 83 116.780 1.524 -2.510 1.00 0.99 N ATOM 1162 CA GLY A 83 117.082 2.934 -2.127 1.00 0.89 C ATOM 1163 C GLY A 83 117.463 2.982 -0.647 1.00 0.92 C ATOM 1164 O GLY A 83 117.499 1.975 0.031 1.00 1.02 O ATOM 0 H GLY A 83 117.376 0.825 -2.066 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.897 3.323 -2.737 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.215 3.568 -2.312 1.00 0.89 H new ATOM 1168 N ASP A 84 117.731 4.153 -0.138 1.00 0.87 N ATOM 1169 CA ASP A 84 118.094 4.295 1.299 1.00 0.93 C ATOM 1170 C ASP A 84 116.837 4.692 2.059 1.00 0.83 C ATOM 1171 O ASP A 84 116.569 5.857 2.275 1.00 0.76 O ATOM 1172 CB ASP A 84 119.153 5.387 1.455 1.00 0.98 C ATOM 1173 CG ASP A 84 120.511 4.851 1.000 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.537 3.784 0.409 1.00 2.06 O ATOM 1175 OD2 ASP A 84 121.503 5.516 1.251 1.00 2.13 O ATOM 0 H ASP A 84 117.713 5.027 -0.663 1.00 0.87 H new ATOM 0 HA ASP A 84 118.496 3.359 1.686 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.879 6.261 0.864 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.207 5.709 2.495 1.00 0.98 H new ATOM 1180 N TYR A 85 116.057 3.733 2.457 1.00 0.84 N ATOM 1181 CA TYR A 85 114.814 4.050 3.191 1.00 0.76 C ATOM 1182 C TYR A 85 115.198 4.568 4.573 1.00 0.80 C ATOM 1183 O TYR A 85 116.025 3.999 5.255 1.00 0.92 O ATOM 1184 CB TYR A 85 113.960 2.772 3.287 1.00 0.80 C ATOM 1185 CG TYR A 85 112.878 2.783 2.231 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.634 3.356 2.511 1.00 0.64 C ATOM 1187 CD2 TYR A 85 113.126 2.223 0.973 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.635 3.368 1.533 1.00 0.61 C ATOM 1189 CE2 TYR A 85 112.129 2.235 -0.006 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.881 2.808 0.273 1.00 0.67 C ATOM 1191 OH TYR A 85 109.895 2.820 -0.692 1.00 0.68 O ATOM 0 H TYR A 85 116.230 2.740 2.304 1.00 0.84 H new ATOM 0 HA TYR A 85 114.230 4.815 2.679 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.593 1.893 3.160 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.510 2.701 4.277 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.445 3.789 3.482 1.00 0.64 H new ATOM 0 HD2 TYR A 85 114.088 1.781 0.759 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.673 3.809 1.749 1.00 0.61 H new ATOM 0 HE2 TYR A 85 112.320 1.803 -0.977 1.00 0.75 H new ATOM 0 HH TYR A 85 109.029 3.005 -0.273 1.00 0.68 H new ATOM 1201 N GLU A 86 114.607 5.658 4.975 1.00 0.73 N ATOM 1202 CA GLU A 86 114.926 6.263 6.306 1.00 0.78 C ATOM 1203 C GLU A 86 113.764 5.972 7.255 1.00 0.74 C ATOM 1204 O GLU A 86 112.660 6.424 7.042 1.00 0.68 O ATOM 1205 CB GLU A 86 115.128 7.803 6.167 1.00 0.78 C ATOM 1206 CG GLU A 86 115.232 8.210 4.689 1.00 0.72 C ATOM 1207 CD GLU A 86 116.564 7.725 4.115 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.069 6.728 4.605 1.00 1.26 O ATOM 1209 OE2 GLU A 86 117.056 8.357 3.195 1.00 1.53 O ATOM 0 H GLU A 86 113.907 6.165 4.433 1.00 0.73 H new ATOM 0 HA GLU A 86 115.848 5.834 6.697 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.295 8.327 6.635 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.032 8.105 6.696 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.404 7.782 4.124 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.156 9.293 4.594 1.00 0.72 H new ATOM 1216 N VAL A 87 114.005 5.213 8.291 1.00 0.81 N ATOM 1217 CA VAL A 87 112.916 4.869 9.258 1.00 0.78 C ATOM 1218 C VAL A 87 113.229 5.458 10.634 1.00 0.86 C ATOM 1219 O VAL A 87 114.367 5.491 11.063 1.00 0.99 O ATOM 1220 CB VAL A 87 112.822 3.347 9.357 1.00 0.84 C ATOM 1221 CG1 VAL A 87 114.063 2.792 10.064 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.569 2.959 10.145 1.00 0.83 C ATOM 0 H VAL A 87 114.917 4.812 8.512 1.00 0.81 H new ATOM 0 HA VAL A 87 111.969 5.283 8.912 1.00 0.78 H new ATOM 0 HB VAL A 87 112.764 2.928 8.352 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.989 1.707 10.131 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.955 3.061 9.498 1.00 1.00 H new ATOM 0 HG13 VAL A 87 114.129 3.214 11.067 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.504 1.873 10.214 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.623 3.384 11.147 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.685 3.343 9.636 1.00 0.83 H new ATOM 1232 N SER A 88 112.220 5.917 11.333 1.00 0.81 N ATOM 1233 CA SER A 88 112.440 6.502 12.691 1.00 0.91 C ATOM 1234 C SER A 88 111.332 6.038 13.634 1.00 0.87 C ATOM 1235 O SER A 88 110.253 6.595 13.669 1.00 0.84 O ATOM 1236 CB SER A 88 112.438 8.029 12.600 1.00 0.94 C ATOM 1237 OG SER A 88 113.166 8.430 11.447 1.00 1.59 O ATOM 0 H SER A 88 111.249 5.911 11.019 1.00 0.81 H new ATOM 0 HA SER A 88 113.403 6.168 13.077 1.00 0.91 H new ATOM 0 HB2 SER A 88 111.415 8.401 12.546 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.886 8.459 13.496 1.00 0.94 H new ATOM 0 HG SER A 88 113.166 9.408 11.384 1.00 1.59 H new ATOM 1243 N ILE A 89 111.602 5.012 14.398 1.00 0.99 N ATOM 1244 CA ILE A 89 110.589 4.475 15.355 1.00 0.98 C ATOM 1245 C ILE A 89 110.958 4.907 16.781 1.00 1.08 C ATOM 1246 O ILE A 89 112.094 4.805 17.195 1.00 1.20 O ATOM 1247 CB ILE A 89 110.572 2.941 15.231 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.697 2.318 16.083 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.763 2.558 13.757 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.944 0.862 15.666 1.00 1.29 C ATOM 0 H ILE A 89 112.494 4.517 14.399 1.00 0.99 H new ATOM 0 HA ILE A 89 109.596 4.864 15.128 1.00 0.98 H new ATOM 0 HB ILE A 89 109.616 2.562 15.593 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.613 2.897 15.965 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.427 2.359 17.138 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.752 1.472 13.659 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.955 2.984 13.163 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.718 2.945 13.401 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.741 0.439 16.278 1.00 1.29 H new ATOM 0 HD12 ILE A 89 111.031 0.283 15.808 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.236 0.829 14.616 1.00 1.29 H new ATOM 1262 N LYS A 90 110.010 5.405 17.528 1.00 1.05 N ATOM 1263 CA LYS A 90 110.300 5.855 18.917 1.00 1.16 C ATOM 1264 C LYS A 90 109.071 5.639 19.800 1.00 1.11 C ATOM 1265 O LYS A 90 107.982 6.022 19.433 1.00 1.01 O ATOM 1266 CB LYS A 90 110.608 7.348 18.889 1.00 1.22 C ATOM 1267 CG LYS A 90 109.394 8.123 18.309 1.00 1.15 C ATOM 1268 CD LYS A 90 109.867 9.304 17.436 1.00 1.34 C ATOM 1269 CE LYS A 90 110.137 8.831 15.999 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.404 8.049 15.958 1.00 1.58 N ATOM 0 H LYS A 90 109.041 5.520 17.232 1.00 1.05 H new ATOM 0 HA LYS A 90 111.143 5.288 19.312 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.830 7.702 19.896 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.494 7.535 18.283 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.777 7.449 17.715 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.770 8.493 19.123 1.00 1.15 H new ATOM 0 HD2 LYS A 90 109.110 10.088 17.432 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.773 9.738 17.859 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.308 8.218 15.646 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.206 9.689 15.330 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.918 8.266 15.080 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.994 8.301 16.776 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.186 7.033 15.989 1.00 1.58 H new ATOM 1284 N PHE A 91 109.219 5.066 20.973 1.00 1.21 N ATOM 1285 CA PHE A 91 108.019 4.884 21.843 1.00 1.18 C ATOM 1286 C PHE A 91 107.766 6.185 22.602 1.00 1.22 C ATOM 1287 O PHE A 91 108.345 6.432 23.636 1.00 1.34 O ATOM 1288 CB PHE A 91 108.250 3.752 22.844 1.00 1.29 C ATOM 1289 CG PHE A 91 106.935 3.419 23.511 1.00 1.24 C ATOM 1290 CD1 PHE A 91 105.903 2.845 22.760 1.00 1.19 C ATOM 1291 CD2 PHE A 91 106.740 3.692 24.871 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.680 2.543 23.367 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.516 3.388 25.479 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.486 2.813 24.727 1.00 1.24 C ATOM 0 H PHE A 91 110.100 4.724 21.357 1.00 1.21 H new ATOM 0 HA PHE A 91 107.159 4.630 21.223 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.649 2.874 22.336 1.00 1.29 H new ATOM 0 HB3 PHE A 91 108.987 4.051 23.589 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.051 2.635 21.711 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.535 4.137 25.451 1.00 1.32 H new ATOM 0 HE1 PHE A 91 103.884 2.101 22.786 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.367 3.597 26.528 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.542 2.578 25.195 1.00 1.24 H new ATOM 1304 N ASN A 92 106.917 7.026 22.087 1.00 1.15 N ATOM 1305 CA ASN A 92 106.644 8.320 22.770 1.00 1.23 C ATOM 1306 C ASN A 92 107.911 9.181 22.705 1.00 1.32 C ATOM 1307 O ASN A 92 108.245 9.883 23.636 1.00 1.42 O ATOM 1308 CB ASN A 92 106.242 8.071 24.236 1.00 1.32 C ATOM 1309 CG ASN A 92 105.387 9.236 24.747 1.00 1.74 C ATOM 1310 OD1 ASN A 92 104.545 9.746 24.035 1.00 2.32 O ATOM 1311 ND2 ASN A 92 105.569 9.679 25.961 1.00 2.24 N ATOM 0 H ASN A 92 106.399 6.874 21.222 1.00 1.15 H new ATOM 0 HA ASN A 92 105.821 8.836 22.275 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.685 7.137 24.316 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.134 7.964 24.854 1.00 1.32 H new ATOM 0 HD21 ASN A 92 105.005 10.453 26.311 1.00 2.24 H new ATOM 0 HD22 ASN A 92 106.276 9.251 26.559 1.00 2.24 H new ATOM 1318 N ASP A 93 108.601 9.119 21.593 1.00 1.28 N ATOM 1319 CA ASP A 93 109.859 9.914 21.385 1.00 1.37 C ATOM 1320 C ASP A 93 111.087 9.172 21.924 1.00 1.45 C ATOM 1321 O ASP A 93 112.160 9.736 22.013 1.00 1.53 O ATOM 1322 CB ASP A 93 109.773 11.294 22.044 1.00 1.46 C ATOM 1323 CG ASP A 93 108.366 11.872 21.870 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.617 11.327 21.076 1.00 1.83 O ATOM 1325 OD2 ASP A 93 108.063 12.850 22.533 1.00 1.92 O ATOM 0 H ASP A 93 108.340 8.536 20.798 1.00 1.28 H new ATOM 0 HA ASP A 93 109.967 10.045 20.308 1.00 1.37 H new ATOM 0 HB2 ASP A 93 110.014 11.215 23.104 1.00 1.46 H new ATOM 0 HB3 ASP A 93 110.508 11.965 21.599 1.00 1.46 H new ATOM 1330 N GLU A 94 110.965 7.908 22.249 1.00 1.43 N ATOM 1331 CA GLU A 94 112.155 7.148 22.734 1.00 1.53 C ATOM 1332 C GLU A 94 112.829 6.518 21.497 1.00 1.52 C ATOM 1333 O GLU A 94 112.520 5.433 21.077 1.00 1.48 O ATOM 1334 CB GLU A 94 111.680 6.108 23.799 1.00 1.56 C ATOM 1335 CG GLU A 94 112.102 4.659 23.491 1.00 1.95 C ATOM 1336 CD GLU A 94 113.622 4.576 23.303 1.00 1.88 C ATOM 1337 OE1 GLU A 94 114.291 5.544 23.625 1.00 2.25 O ATOM 1338 OE2 GLU A 94 114.088 3.554 22.838 1.00 2.24 O ATOM 0 H GLU A 94 110.097 7.374 22.199 1.00 1.43 H new ATOM 0 HA GLU A 94 112.895 7.777 23.229 1.00 1.53 H new ATOM 0 HB2 GLU A 94 112.079 6.393 24.773 1.00 1.56 H new ATOM 0 HB3 GLU A 94 110.593 6.151 23.874 1.00 1.56 H new ATOM 0 HG2 GLU A 94 111.793 4.002 24.304 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.598 4.310 22.590 1.00 1.95 H new ATOM 1345 N HIS A 95 113.745 7.207 20.889 1.00 1.59 N ATOM 1346 CA HIS A 95 114.400 6.634 19.681 1.00 1.59 C ATOM 1347 C HIS A 95 115.341 5.495 20.090 1.00 1.71 C ATOM 1348 O HIS A 95 116.467 5.725 20.485 1.00 1.86 O ATOM 1349 CB HIS A 95 115.201 7.726 18.968 1.00 1.65 C ATOM 1350 CG HIS A 95 116.030 8.477 19.972 1.00 1.94 C ATOM 1351 ND1 HIS A 95 117.342 8.130 20.255 1.00 2.24 N ATOM 1352 CD2 HIS A 95 115.749 9.561 20.767 1.00 2.62 C ATOM 1353 CE1 HIS A 95 117.797 8.990 21.184 1.00 2.68 C ATOM 1354 NE2 HIS A 95 116.866 9.883 21.531 1.00 2.88 N ATOM 0 H HIS A 95 114.069 8.133 21.169 1.00 1.59 H new ATOM 0 HA HIS A 95 113.635 6.244 19.009 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.845 7.282 18.208 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.526 8.410 18.454 1.00 1.65 H new ATOM 0 HD1 HIS A 95 117.867 7.363 19.835 1.00 2.24 H new ATOM 0 HD2 HIS A 95 114.804 10.084 20.795 1.00 2.62 H new ATOM 0 HE1 HIS A 95 118.794 8.962 21.599 1.00 2.68 H new ATOM 1362 N ILE A 96 114.897 4.264 19.986 1.00 1.67 N ATOM 1363 CA ILE A 96 115.791 3.113 20.359 1.00 1.82 C ATOM 1364 C ILE A 96 117.153 3.340 19.655 1.00 1.88 C ATOM 1365 O ILE A 96 117.200 4.075 18.686 1.00 1.77 O ATOM 1366 CB ILE A 96 115.158 1.764 19.890 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.037 2.040 18.862 1.00 1.98 C ATOM 1368 CG2 ILE A 96 114.574 0.970 21.079 1.00 2.35 C ATOM 1369 CD1 ILE A 96 112.749 2.535 19.555 1.00 2.27 C ATOM 0 H ILE A 96 113.965 4.005 19.663 1.00 1.67 H new ATOM 0 HA ILE A 96 115.921 3.061 21.440 1.00 1.82 H new ATOM 0 HB ILE A 96 115.947 1.167 19.432 1.00 1.82 H new ATOM 0 HG12 ILE A 96 114.376 2.786 18.143 1.00 1.98 H new ATOM 0 HG13 ILE A 96 113.824 1.130 18.300 1.00 1.98 H new ATOM 0 HG21 ILE A 96 114.142 0.037 20.716 1.00 2.35 H new ATOM 0 HG22 ILE A 96 115.367 0.749 21.793 1.00 2.35 H new ATOM 0 HG23 ILE A 96 113.800 1.563 21.567 1.00 2.35 H new ATOM 0 HD11 ILE A 96 111.980 2.720 18.805 1.00 2.27 H new ATOM 0 HD12 ILE A 96 112.398 1.777 20.255 1.00 2.27 H new ATOM 0 HD13 ILE A 96 112.958 3.458 20.095 1.00 2.27 H new ATOM 1381 N PRO A 97 118.220 2.720 20.146 1.00 2.08 N ATOM 1382 CA PRO A 97 119.559 2.884 19.536 1.00 2.18 C ATOM 1383 C PRO A 97 119.521 2.397 18.077 1.00 2.06 C ATOM 1384 O PRO A 97 120.145 1.424 17.704 1.00 2.32 O ATOM 1385 CB PRO A 97 120.509 2.029 20.413 1.00 2.43 C ATOM 1386 CG PRO A 97 119.634 1.306 21.476 1.00 2.48 C ATOM 1387 CD PRO A 97 118.184 1.821 21.319 1.00 2.25 C ATOM 0 HA PRO A 97 119.894 3.921 19.505 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.048 1.305 19.802 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.257 2.658 20.895 1.00 2.43 H new ATOM 0 HG2 PRO A 97 119.674 0.226 21.334 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.006 1.510 22.480 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.488 0.997 21.163 1.00 2.25 H new ATOM 0 HD3 PRO A 97 117.855 2.352 22.213 1.00 2.25 H new ATOM 1395 N ASP A 98 118.775 3.079 17.262 1.00 2.10 N ATOM 1396 CA ASP A 98 118.651 2.698 15.833 1.00 1.98 C ATOM 1397 C ASP A 98 118.040 3.867 15.083 1.00 1.76 C ATOM 1398 O ASP A 98 118.606 4.382 14.144 1.00 1.73 O ATOM 1399 CB ASP A 98 117.732 1.476 15.705 1.00 1.95 C ATOM 1400 CG ASP A 98 118.501 0.209 16.084 1.00 2.28 C ATOM 1401 OD1 ASP A 98 119.301 -0.238 15.279 1.00 2.64 O ATOM 1402 OD2 ASP A 98 118.277 -0.293 17.174 1.00 2.65 O ATOM 0 H ASP A 98 118.235 3.901 17.531 1.00 2.10 H new ATOM 0 HA ASP A 98 119.630 2.452 15.422 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.863 1.593 16.353 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.359 1.395 14.684 1.00 1.95 H new ATOM 1407 N SER A 99 116.885 4.292 15.488 1.00 1.67 N ATOM 1408 CA SER A 99 116.233 5.420 14.780 1.00 1.48 C ATOM 1409 C SER A 99 117.024 6.720 15.031 1.00 1.62 C ATOM 1410 O SER A 99 117.390 6.974 16.161 1.00 1.87 O ATOM 1411 CB SER A 99 114.810 5.581 15.321 1.00 1.48 C ATOM 1412 OG SER A 99 114.823 5.390 16.730 1.00 2.00 O ATOM 0 H SER A 99 116.363 3.910 16.277 1.00 1.67 H new ATOM 0 HA SER A 99 116.208 5.218 13.709 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.426 6.572 15.080 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.145 4.858 14.850 1.00 1.48 H new ATOM 0 HG SER A 99 113.921 5.160 17.037 1.00 2.00 H new ATOM 1418 N PRO A 100 117.239 7.551 14.013 1.00 1.55 N ATOM 1419 CA PRO A 100 116.834 7.338 12.592 1.00 1.33 C ATOM 1420 C PRO A 100 117.959 6.598 11.825 1.00 1.33 C ATOM 1421 O PRO A 100 119.050 7.121 11.712 1.00 1.47 O ATOM 1422 CB PRO A 100 116.718 8.779 12.044 1.00 1.43 C ATOM 1423 CG PRO A 100 117.550 9.690 12.993 1.00 1.74 C ATOM 1424 CD PRO A 100 117.893 8.851 14.246 1.00 1.79 C ATOM 0 HA PRO A 100 115.923 6.748 12.491 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.097 8.836 11.023 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.676 9.099 12.016 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.459 10.033 12.499 1.00 1.74 H new ATOM 0 HG3 PRO A 100 116.983 10.579 13.268 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.971 8.737 14.364 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.521 9.325 15.154 1.00 1.79 H new ATOM 1432 N PHE A 101 117.715 5.419 11.268 1.00 1.25 N ATOM 1433 CA PHE A 101 118.806 4.718 10.483 1.00 1.36 C ATOM 1434 C PHE A 101 118.306 4.402 9.073 1.00 1.24 C ATOM 1435 O PHE A 101 117.132 4.501 8.779 1.00 1.16 O ATOM 1436 CB PHE A 101 119.266 3.425 11.174 1.00 1.55 C ATOM 1437 CG PHE A 101 118.173 2.380 11.178 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.125 2.473 12.092 1.00 1.50 C ATOM 1439 CD2 PHE A 101 118.229 1.299 10.290 1.00 1.78 C ATOM 1440 CE1 PHE A 101 116.130 1.498 12.124 1.00 1.83 C ATOM 1441 CE2 PHE A 101 117.229 0.320 10.315 1.00 2.18 C ATOM 1442 CZ PHE A 101 116.177 0.419 11.233 1.00 2.19 C ATOM 0 H PHE A 101 116.827 4.921 11.321 1.00 1.25 H new ATOM 0 HA PHE A 101 119.663 5.390 10.431 1.00 1.36 H new ATOM 0 HB2 PHE A 101 120.145 3.032 10.664 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.564 3.645 12.199 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.084 3.305 12.779 1.00 1.50 H new ATOM 0 HD2 PHE A 101 119.044 1.221 9.586 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.322 1.575 12.837 1.00 1.83 H new ATOM 0 HE2 PHE A 101 117.269 -0.511 9.627 1.00 2.18 H new ATOM 0 HZ PHE A 101 115.404 -0.335 11.254 1.00 2.19 H new ATOM 1452 N VAL A 102 119.205 4.049 8.191 1.00 1.28 N ATOM 1453 CA VAL A 102 118.813 3.754 6.783 1.00 1.21 C ATOM 1454 C VAL A 102 118.433 2.282 6.630 1.00 1.23 C ATOM 1455 O VAL A 102 118.992 1.413 7.267 1.00 1.34 O ATOM 1456 CB VAL A 102 119.992 4.070 5.857 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.225 3.280 6.302 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.634 3.682 4.420 1.00 1.29 C ATOM 0 H VAL A 102 120.201 3.952 8.389 1.00 1.28 H new ATOM 0 HA VAL A 102 117.952 4.368 6.520 1.00 1.21 H new ATOM 0 HB VAL A 102 120.208 5.137 5.905 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.061 3.508 5.641 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.485 3.556 7.324 1.00 1.44 H new ATOM 0 HG13 VAL A 102 121.008 2.213 6.259 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.474 3.907 3.762 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.414 2.615 4.375 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.759 4.247 4.098 1.00 1.29 H new ATOM 1468 N VAL A 103 117.491 2.003 5.766 1.00 1.15 N ATOM 1469 CA VAL A 103 117.052 0.595 5.521 1.00 1.19 C ATOM 1470 C VAL A 103 117.309 0.272 4.033 1.00 1.19 C ATOM 1471 O VAL A 103 116.437 0.475 3.212 1.00 1.10 O ATOM 1472 CB VAL A 103 115.554 0.485 5.822 1.00 1.11 C ATOM 1473 CG1 VAL A 103 115.034 -0.890 5.388 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.331 0.660 7.327 1.00 1.14 C ATOM 0 H VAL A 103 116.999 2.703 5.211 1.00 1.15 H new ATOM 0 HA VAL A 103 117.598 -0.102 6.157 1.00 1.19 H new ATOM 0 HB VAL A 103 115.017 1.259 5.274 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.968 -0.961 5.605 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.196 -1.019 4.318 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.568 -1.669 5.932 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.267 0.583 7.548 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.871 -0.117 7.868 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.696 1.639 7.638 1.00 1.14 H new ATOM 1484 N PRO A 104 118.509 -0.174 3.705 1.00 1.29 N ATOM 1485 CA PRO A 104 118.866 -0.463 2.301 1.00 1.30 C ATOM 1486 C PRO A 104 117.991 -1.575 1.698 1.00 1.33 C ATOM 1487 O PRO A 104 118.084 -2.731 2.065 1.00 1.44 O ATOM 1488 CB PRO A 104 120.357 -0.883 2.345 1.00 1.42 C ATOM 1489 CG PRO A 104 120.831 -0.770 3.823 1.00 1.49 C ATOM 1490 CD PRO A 104 119.595 -0.423 4.680 1.00 1.41 C ATOM 0 HA PRO A 104 118.701 0.405 1.663 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.479 -1.903 1.980 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.956 -0.240 1.700 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.277 -1.707 4.155 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.596 0.000 3.923 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.340 -1.241 5.354 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.778 0.455 5.299 1.00 1.41 H new ATOM 1498 N VAL A 105 117.171 -1.226 0.741 1.00 1.25 N ATOM 1499 CA VAL A 105 116.316 -2.235 0.055 1.00 1.29 C ATOM 1500 C VAL A 105 117.037 -2.584 -1.261 1.00 1.35 C ATOM 1501 O VAL A 105 117.674 -1.732 -1.852 1.00 1.31 O ATOM 1502 CB VAL A 105 114.941 -1.601 -0.190 1.00 1.19 C ATOM 1503 CG1 VAL A 105 114.071 -2.491 -1.087 1.00 1.26 C ATOM 1504 CG2 VAL A 105 114.243 -1.404 1.154 1.00 1.15 C ATOM 0 H VAL A 105 117.057 -0.271 0.402 1.00 1.25 H new ATOM 0 HA VAL A 105 116.163 -3.144 0.637 1.00 1.29 H new ATOM 0 HB VAL A 105 115.082 -0.645 -0.693 1.00 1.19 H new ATOM 0 HG11 VAL A 105 113.103 -2.015 -1.242 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.565 -2.632 -2.049 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.926 -3.459 -0.608 1.00 1.26 H new ATOM 0 HG21 VAL A 105 113.264 -0.954 0.993 1.00 1.15 H new ATOM 0 HG22 VAL A 105 114.122 -2.369 1.646 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.845 -0.749 1.784 1.00 1.15 H new ATOM 1514 N ALA A 106 116.999 -3.829 -1.698 1.00 1.46 N ATOM 1515 CA ALA A 106 117.752 -4.221 -2.947 1.00 1.53 C ATOM 1516 C ALA A 106 116.912 -5.133 -3.870 1.00 1.59 C ATOM 1517 O ALA A 106 116.285 -6.072 -3.442 1.00 1.66 O ATOM 1518 CB ALA A 106 119.021 -4.959 -2.506 1.00 1.67 C ATOM 0 H ALA A 106 116.484 -4.586 -1.249 1.00 1.46 H new ATOM 0 HA ALA A 106 117.989 -3.324 -3.519 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.592 -5.258 -3.385 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.628 -4.300 -1.886 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.746 -5.845 -1.933 1.00 1.67 H new ATOM 1524 N SER A 107 116.919 -4.857 -5.146 1.00 1.59 N ATOM 1525 CA SER A 107 116.154 -5.692 -6.115 1.00 1.67 C ATOM 1526 C SER A 107 117.042 -6.855 -6.525 1.00 1.81 C ATOM 1527 O SER A 107 117.577 -6.896 -7.615 1.00 1.83 O ATOM 1528 CB SER A 107 115.798 -4.866 -7.354 1.00 1.60 C ATOM 1529 OG SER A 107 114.828 -5.567 -8.121 1.00 2.04 O ATOM 0 H SER A 107 117.429 -4.078 -5.563 1.00 1.59 H new ATOM 0 HA SER A 107 115.231 -6.049 -5.657 1.00 1.67 H new ATOM 0 HB2 SER A 107 115.409 -3.892 -7.057 1.00 1.60 H new ATOM 0 HB3 SER A 107 116.690 -4.684 -7.953 1.00 1.60 H new ATOM 0 HG SER A 107 114.596 -5.041 -8.915 1.00 2.04 H new ATOM 1535 N LEU A 108 117.223 -7.784 -5.643 1.00 1.98 N ATOM 1536 CA LEU A 108 118.101 -8.938 -5.947 1.00 2.16 C ATOM 1537 C LEU A 108 119.536 -8.409 -6.039 1.00 2.13 C ATOM 1538 O LEU A 108 120.480 -9.146 -6.244 1.00 2.33 O ATOM 1539 CB LEU A 108 117.650 -9.581 -7.278 1.00 2.25 C ATOM 1540 CG LEU A 108 117.593 -11.115 -7.166 1.00 2.76 C ATOM 1541 CD1 LEU A 108 118.982 -11.672 -6.815 1.00 3.20 C ATOM 1542 CD2 LEU A 108 116.557 -11.547 -6.100 1.00 3.20 C ATOM 0 H LEU A 108 116.798 -7.796 -4.716 1.00 1.98 H new ATOM 0 HA LEU A 108 118.045 -9.703 -5.173 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.668 -9.198 -7.555 1.00 2.25 H new ATOM 0 HB3 LEU A 108 118.339 -9.298 -8.073 1.00 2.25 H new ATOM 0 HG LEU A 108 117.283 -11.520 -8.129 1.00 2.76 H new ATOM 0 HD11 LEU A 108 118.930 -12.758 -6.738 1.00 3.20 H new ATOM 0 HD12 LEU A 108 119.692 -11.397 -7.595 1.00 3.20 H new ATOM 0 HD13 LEU A 108 119.311 -11.256 -5.862 1.00 3.20 H new ATOM 0 HD21 LEU A 108 116.532 -12.635 -6.037 1.00 3.20 H new ATOM 0 HD22 LEU A 108 116.838 -11.133 -5.131 1.00 3.20 H new ATOM 0 HD23 LEU A 108 115.571 -11.177 -6.380 1.00 3.20 H new ATOM 1554 N SER A 109 119.689 -7.123 -5.869 1.00 1.93 N ATOM 1555 CA SER A 109 121.037 -6.500 -5.920 1.00 1.92 C ATOM 1556 C SER A 109 121.698 -6.643 -4.554 1.00 2.00 C ATOM 1557 O SER A 109 122.905 -6.571 -4.427 1.00 2.09 O ATOM 1558 CB SER A 109 120.893 -5.025 -6.283 1.00 1.77 C ATOM 1559 OG SER A 109 122.186 -4.478 -6.505 1.00 2.06 O ATOM 0 H SER A 109 118.924 -6.471 -5.695 1.00 1.93 H new ATOM 0 HA SER A 109 121.654 -6.992 -6.672 1.00 1.92 H new ATOM 0 HB2 SER A 109 120.278 -4.915 -7.176 1.00 1.77 H new ATOM 0 HB3 SER A 109 120.388 -4.487 -5.481 1.00 1.77 H new ATOM 0 HG SER A 109 122.104 -3.530 -6.741 1.00 2.06 H new ATOM 1565 N ASP A 110 120.916 -6.831 -3.525 1.00 1.99 N ATOM 1566 CA ASP A 110 121.500 -6.964 -2.158 1.00 2.10 C ATOM 1567 C ASP A 110 122.417 -5.769 -1.915 1.00 2.06 C ATOM 1568 O ASP A 110 123.188 -5.735 -0.978 1.00 2.19 O ATOM 1569 CB ASP A 110 122.306 -8.263 -2.062 1.00 2.32 C ATOM 1570 CG ASP A 110 121.385 -9.455 -2.327 1.00 2.37 C ATOM 1571 OD1 ASP A 110 120.438 -9.292 -3.077 1.00 2.61 O ATOM 1572 OD2 ASP A 110 121.644 -10.512 -1.774 1.00 2.85 O ATOM 0 H ASP A 110 119.899 -6.898 -3.571 1.00 1.99 H new ATOM 0 HA ASP A 110 120.707 -6.990 -1.410 1.00 2.10 H new ATOM 0 HB2 ASP A 110 123.121 -8.252 -2.785 1.00 2.32 H new ATOM 0 HB3 ASP A 110 122.758 -8.351 -1.074 1.00 2.32 H new ATOM 1836 N ARG B 8 113.743 11.961 -1.892 1.00 0.48 N ATOM 1837 CA ARG B 8 112.895 10.832 -2.377 1.00 0.50 C ATOM 1838 C ARG B 8 111.449 11.057 -1.935 1.00 0.48 C ATOM 1839 O ARG B 8 111.154 11.966 -1.185 1.00 0.96 O ATOM 1840 CB ARG B 8 113.426 9.517 -1.781 1.00 0.67 C ATOM 1841 CG ARG B 8 114.973 9.567 -1.703 1.00 0.80 C ATOM 1842 CD ARG B 8 115.581 8.182 -1.959 1.00 1.18 C ATOM 1843 NE ARG B 8 117.047 8.338 -2.183 1.00 1.76 N ATOM 1844 CZ ARG B 8 117.821 7.291 -2.203 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.308 6.101 -2.063 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.107 7.432 -2.373 1.00 2.64 N ATOM 0 HA ARG B 8 112.931 10.779 -3.465 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.007 9.361 -0.787 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.110 8.674 -2.396 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.355 10.277 -2.436 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.280 9.927 -0.721 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.396 7.525 -1.109 1.00 1.18 H new ATOM 0 HD3 ARG B 8 115.113 7.718 -2.828 1.00 1.18 H new ATOM 0 HE ARG B 8 117.445 9.267 -2.321 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.302 5.991 -1.938 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.913 5.280 -2.078 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.507 8.363 -2.490 1.00 2.64 H new ATOM 0 HH22 ARG B 8 119.712 6.611 -2.388 1.00 2.64 H new ATOM 1860 N VAL B 9 110.545 10.229 -2.382 1.00 0.42 N ATOM 1861 CA VAL B 9 109.124 10.395 -1.971 1.00 0.36 C ATOM 1862 C VAL B 9 109.076 10.499 -0.441 1.00 0.28 C ATOM 1863 O VAL B 9 110.005 10.114 0.242 1.00 0.38 O ATOM 1864 CB VAL B 9 108.313 9.183 -2.467 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.022 9.022 -1.653 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.953 9.381 -3.944 1.00 0.66 C ATOM 0 H VAL B 9 110.729 9.448 -3.012 1.00 0.42 H new ATOM 0 HA VAL B 9 108.693 11.297 -2.405 1.00 0.36 H new ATOM 0 HB VAL B 9 108.921 8.286 -2.344 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.465 8.160 -2.021 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.271 8.872 -0.602 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.412 9.919 -1.757 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.379 8.524 -4.297 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.357 10.287 -4.055 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.866 9.473 -4.532 1.00 0.66 H new ATOM 1876 N ALA B 10 108.007 11.029 0.096 1.00 0.27 N ATOM 1877 CA ALA B 10 107.890 11.184 1.583 1.00 0.35 C ATOM 1878 C ALA B 10 106.762 10.300 2.115 1.00 0.26 C ATOM 1879 O ALA B 10 105.775 10.064 1.448 1.00 0.40 O ATOM 1880 CB ALA B 10 107.577 12.645 1.912 1.00 0.58 C ATOM 0 H ALA B 10 107.202 11.364 -0.434 1.00 0.27 H new ATOM 0 HA ALA B 10 108.830 10.887 2.049 1.00 0.35 H new ATOM 0 HB1 ALA B 10 107.491 12.764 2.992 1.00 0.58 H new ATOM 0 HB2 ALA B 10 108.379 13.282 1.540 1.00 0.58 H new ATOM 0 HB3 ALA B 10 106.638 12.931 1.439 1.00 0.58 H new ATOM 1886 N SER B 11 106.904 9.815 3.321 1.00 0.23 N ATOM 1887 CA SER B 11 105.844 8.949 3.918 1.00 0.22 C ATOM 1888 C SER B 11 105.843 9.130 5.438 1.00 0.23 C ATOM 1889 O SER B 11 106.878 9.109 6.077 1.00 0.30 O ATOM 1890 CB SER B 11 106.127 7.487 3.575 1.00 0.36 C ATOM 1891 OG SER B 11 105.206 6.655 4.269 1.00 1.19 O ATOM 0 H SER B 11 107.712 9.982 3.921 1.00 0.23 H new ATOM 0 HA SER B 11 104.870 9.230 3.517 1.00 0.22 H new ATOM 0 HB2 SER B 11 106.038 7.330 2.500 1.00 0.36 H new ATOM 0 HB3 SER B 11 107.149 7.228 3.852 1.00 0.36 H new ATOM 0 HG SER B 11 105.384 5.716 4.050 1.00 1.19 H new ATOM 1897 N SER B 12 104.689 9.315 6.026 1.00 0.27 N ATOM 1898 CA SER B 12 104.621 9.505 7.507 1.00 0.35 C ATOM 1899 C SER B 12 103.351 8.851 8.056 1.00 0.31 C ATOM 1900 O SER B 12 102.248 9.195 7.681 1.00 0.41 O ATOM 1901 CB SER B 12 104.598 11.001 7.824 1.00 0.52 C ATOM 1902 OG SER B 12 103.558 11.623 7.081 1.00 1.38 O ATOM 0 H SER B 12 103.790 9.343 5.545 1.00 0.27 H new ATOM 0 HA SER B 12 105.493 9.043 7.970 1.00 0.35 H new ATOM 0 HB2 SER B 12 104.441 11.156 8.891 1.00 0.52 H new ATOM 0 HB3 SER B 12 105.558 11.452 7.575 1.00 0.52 H new ATOM 0 HG SER B 12 102.797 11.010 7.008 1.00 1.38 H new ATOM 1908 N VAL B 13 103.504 7.911 8.947 1.00 0.27 N ATOM 1909 CA VAL B 13 102.319 7.228 9.532 1.00 0.27 C ATOM 1910 C VAL B 13 102.745 6.485 10.796 1.00 0.32 C ATOM 1911 O VAL B 13 103.927 6.334 11.072 1.00 0.41 O ATOM 1912 CB VAL B 13 101.753 6.236 8.515 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.867 5.302 8.036 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.629 5.410 9.154 1.00 0.41 C ATOM 0 H VAL B 13 104.405 7.585 9.296 1.00 0.27 H new ATOM 0 HA VAL B 13 101.553 7.962 9.782 1.00 0.27 H new ATOM 0 HB VAL B 13 101.350 6.788 7.666 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.463 4.595 7.311 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.658 5.889 7.569 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.275 4.756 8.887 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.233 4.707 8.422 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.022 4.860 10.009 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.832 6.075 9.486 1.00 0.41 H new ATOM 1924 N PHE B 14 101.799 6.020 11.571 1.00 0.36 N ATOM 1925 CA PHE B 14 102.172 5.289 12.812 1.00 0.45 C ATOM 1926 C PHE B 14 100.951 4.740 13.550 1.00 0.34 C ATOM 1927 O PHE B 14 99.856 4.675 13.027 1.00 0.35 O ATOM 1928 CB PHE B 14 102.904 6.223 13.758 1.00 0.59 C ATOM 1929 CG PHE B 14 101.975 7.296 14.287 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.502 8.297 13.432 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.602 7.296 15.638 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.654 9.295 13.925 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.757 8.294 16.131 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.282 9.295 15.275 1.00 1.54 C ATOM 0 H PHE B 14 100.798 6.114 11.399 1.00 0.36 H new ATOM 0 HA PHE B 14 102.805 4.455 12.509 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.318 5.653 14.590 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.744 6.687 13.240 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.791 8.300 12.391 1.00 0.70 H new ATOM 0 HD2 PHE B 14 101.968 6.524 16.299 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.286 10.066 13.264 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.470 8.293 17.172 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.629 10.067 15.656 1.00 1.54 H new ATOM 1944 N ILE B 15 101.161 4.346 14.785 1.00 0.34 N ATOM 1945 CA ILE B 15 100.060 3.795 15.615 1.00 0.33 C ATOM 1946 C ILE B 15 100.357 4.104 17.091 1.00 0.31 C ATOM 1947 O ILE B 15 101.447 4.519 17.443 1.00 0.58 O ATOM 1948 CB ILE B 15 99.994 2.276 15.409 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.413 1.726 15.241 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.174 1.949 14.157 1.00 0.83 C ATOM 1951 CD1 ILE B 15 101.390 0.202 15.379 1.00 1.25 C ATOM 0 H ILE B 15 102.066 4.387 15.253 1.00 0.34 H new ATOM 0 HA ILE B 15 99.107 4.241 15.330 1.00 0.33 H new ATOM 0 HB ILE B 15 99.518 1.819 16.277 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.810 2.007 14.266 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.074 2.160 15.992 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.134 0.868 14.020 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.162 2.338 14.273 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.642 2.408 13.286 1.00 0.83 H new ATOM 0 HD11 ILE B 15 102.400 -0.189 15.259 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.010 -0.068 16.364 1.00 1.25 H new ATOM 0 HD13 ILE B 15 100.743 -0.223 14.612 1.00 1.25 H new ATOM 1963 N THR B 16 99.401 3.903 17.960 1.00 0.35 N ATOM 1964 CA THR B 16 99.628 4.182 19.412 1.00 0.47 C ATOM 1965 C THR B 16 98.857 3.162 20.251 1.00 0.31 C ATOM 1966 O THR B 16 97.900 2.570 19.791 1.00 0.35 O ATOM 1967 CB THR B 16 99.133 5.592 19.744 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.217 5.802 21.147 1.00 1.61 O ATOM 1969 CG2 THR B 16 97.680 5.744 19.290 1.00 1.40 C ATOM 0 H THR B 16 98.470 3.557 17.728 1.00 0.35 H new ATOM 0 HA THR B 16 100.692 4.109 19.635 1.00 0.47 H new ATOM 0 HB THR B 16 99.751 6.326 19.228 1.00 0.75 H new ATOM 0 HG1 THR B 16 100.030 5.378 21.493 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.328 6.748 19.527 1.00 1.40 H new ATOM 0 HG22 THR B 16 97.616 5.581 18.214 1.00 1.40 H new ATOM 0 HG23 THR B 16 97.059 5.011 19.805 1.00 1.40 H new ATOM 1977 N LEU B 17 99.268 2.948 21.481 1.00 0.39 N ATOM 1978 CA LEU B 17 98.562 1.960 22.362 1.00 0.44 C ATOM 1979 C LEU B 17 98.280 2.600 23.727 1.00 0.31 C ATOM 1980 O LEU B 17 99.001 3.464 24.186 1.00 0.54 O ATOM 1981 CB LEU B 17 99.433 0.697 22.540 1.00 0.72 C ATOM 1982 CG LEU B 17 100.937 1.066 22.531 1.00 0.83 C ATOM 1983 CD1 LEU B 17 101.722 0.080 23.413 1.00 1.06 C ATOM 1984 CD2 LEU B 17 101.487 1.005 21.093 1.00 1.32 C ATOM 0 H LEU B 17 100.064 3.417 21.913 1.00 0.39 H new ATOM 0 HA LEU B 17 97.618 1.674 21.898 1.00 0.44 H new ATOM 0 HB2 LEU B 17 99.180 0.203 23.478 1.00 0.72 H new ATOM 0 HB3 LEU B 17 99.222 -0.012 21.740 1.00 0.72 H new ATOM 0 HG LEU B 17 101.051 2.077 22.921 1.00 0.83 H new ATOM 0 HD11 LEU B 17 102.779 0.345 23.403 1.00 1.06 H new ATOM 0 HD12 LEU B 17 101.346 0.127 24.435 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.598 -0.932 23.027 1.00 1.06 H new ATOM 0 HD21 LEU B 17 102.545 1.266 21.097 1.00 1.32 H new ATOM 0 HD22 LEU B 17 101.363 -0.004 20.699 1.00 1.32 H new ATOM 0 HD23 LEU B 17 100.942 1.709 20.465 1.00 1.32 H new