USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 SER OG : rot 42:sc= 0.9 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -164:sc= -2.24 (180deg=-2.89) USER MOD Set 1.3: A 99 SER OG : rot -150:sc= 0.483 USER MOD Set 2.1: A 59 SER OG : rot -110:sc= -0.0119 USER MOD Set 2.2: A 80 GLN : amide:sc= 0 X(o=-0.012,f=-0.043) USER MOD Set 3.1: A 40 SER OG : rot -130:sc= 1.03 USER MOD Set 3.2: A 72 SER OG : rot -120:sc= 0.863 USER MOD Set 4.1: A 20 LYS NZ :NH3+ -120:sc= -7.85! (180deg=-11.3!) USER MOD Set 4.2: A 43 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 19 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 26 THR OG1 : rot -92:sc= 0.0257 USER MOD Single : A 52 SER OG : rot 180:sc= -0.271 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.159 USER MOD Single : A 77 TYR OH : rot -86:sc= -2.11! USER MOD Single : A 85 TYR OH : rot 180:sc= -0.219 USER MOD Single : A 92 ASN : amide:sc= 0.0888 K(o=0.089,f=-1.1) USER MOD Single : A 95 HIS : no HD1:sc= -0.701 K(o=-0.7,f=-3.6!) USER MOD Single : A 107 SER OG : rot 74:sc= 1.05 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= -1.62! USER MOD Single : B 12 SER OG : rot 180:sc=-0.00476 USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0364 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 114.237 6.548 28.894 1.00 2.21 N ATOM 228 CA GLY A 16 112.862 6.105 28.561 1.00 2.06 C ATOM 229 C GLY A 16 112.908 4.629 28.177 1.00 1.98 C ATOM 230 O GLY A 16 113.861 3.934 28.470 1.00 2.44 O ATOM 0 HA2 GLY A 16 112.199 6.254 29.413 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.462 6.698 27.739 1.00 2.06 H new ATOM 234 N GLY A 17 111.895 4.136 27.526 1.00 1.81 N ATOM 235 CA GLY A 17 111.904 2.702 27.135 1.00 1.74 C ATOM 236 C GLY A 17 112.897 2.485 25.993 1.00 1.78 C ATOM 237 O GLY A 17 113.130 1.368 25.576 1.00 1.80 O ATOM 0 H GLY A 17 111.065 4.660 27.249 1.00 1.81 H new ATOM 0 HA2 GLY A 17 112.178 2.084 27.990 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.906 2.393 26.825 1.00 1.74 H new ATOM 241 N ALA A 18 113.494 3.533 25.474 1.00 1.84 N ATOM 242 CA ALA A 18 114.468 3.337 24.362 1.00 1.96 C ATOM 243 C ALA A 18 115.458 2.234 24.747 1.00 2.07 C ATOM 244 O ALA A 18 116.200 1.737 23.923 1.00 2.21 O ATOM 245 CB ALA A 18 115.220 4.650 24.092 1.00 2.09 C ATOM 0 H ALA A 18 113.350 4.499 25.769 1.00 1.84 H new ATOM 0 HA ALA A 18 113.936 3.044 23.457 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.930 4.502 23.279 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.508 5.427 23.814 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.756 4.954 24.991 1.00 2.09 H new ATOM 251 N HIS A 19 115.468 1.845 25.994 1.00 2.06 N ATOM 252 CA HIS A 19 116.398 0.771 26.443 1.00 2.21 C ATOM 253 C HIS A 19 115.656 -0.571 26.464 1.00 2.15 C ATOM 254 O HIS A 19 116.190 -1.589 26.071 1.00 2.33 O ATOM 255 CB HIS A 19 116.904 1.099 27.851 1.00 2.33 C ATOM 256 CG HIS A 19 117.751 -0.035 28.360 1.00 2.51 C ATOM 257 ND1 HIS A 19 117.690 -0.471 29.675 1.00 2.79 N ATOM 258 CD2 HIS A 19 118.685 -0.831 27.745 1.00 2.86 C ATOM 259 CE1 HIS A 19 118.564 -1.486 29.807 1.00 2.87 C ATOM 260 NE2 HIS A 19 119.197 -1.746 28.660 1.00 2.87 N ATOM 0 H HIS A 19 114.868 2.228 26.724 1.00 2.06 H new ATOM 0 HA HIS A 19 117.243 0.706 25.757 1.00 2.21 H new ATOM 0 HB2 HIS A 19 117.485 2.021 27.834 1.00 2.33 H new ATOM 0 HB3 HIS A 19 116.061 1.266 28.522 1.00 2.33 H new ATOM 0 HD2 HIS A 19 118.978 -0.758 26.708 1.00 2.86 H new ATOM 0 HE1 HIS A 19 118.733 -2.024 30.728 1.00 2.87 H new ATOM 0 HE2 HIS A 19 119.904 -2.462 28.491 1.00 2.87 H new ATOM 268 N LYS A 20 114.430 -0.583 26.921 1.00 2.02 N ATOM 269 CA LYS A 20 113.663 -1.864 26.966 1.00 2.01 C ATOM 270 C LYS A 20 113.056 -2.151 25.591 1.00 1.90 C ATOM 271 O LYS A 20 112.800 -3.286 25.242 1.00 1.96 O ATOM 272 CB LYS A 20 112.550 -1.758 28.021 1.00 1.99 C ATOM 273 CG LYS A 20 111.426 -0.802 27.541 1.00 1.81 C ATOM 274 CD LYS A 20 110.222 -1.605 27.014 1.00 1.74 C ATOM 275 CE LYS A 20 109.244 -0.677 26.267 1.00 1.58 C ATOM 276 NZ LYS A 20 107.846 -1.112 26.541 1.00 1.94 N ATOM 0 H LYS A 20 113.928 0.236 27.264 1.00 2.02 H new ATOM 0 HA LYS A 20 114.334 -2.680 27.234 1.00 2.01 H new ATOM 0 HB2 LYS A 20 112.134 -2.746 28.218 1.00 1.99 H new ATOM 0 HB3 LYS A 20 112.966 -1.394 28.960 1.00 1.99 H new ATOM 0 HG2 LYS A 20 111.110 -0.160 28.364 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.807 -0.149 26.756 1.00 1.81 H new ATOM 0 HD2 LYS A 20 110.567 -2.394 26.346 1.00 1.74 H new ATOM 0 HD3 LYS A 20 109.710 -2.092 27.844 1.00 1.74 H new ATOM 0 HE2 LYS A 20 109.386 0.355 26.589 1.00 1.58 H new ATOM 0 HE3 LYS A 20 109.443 -0.707 25.196 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 107.379 -1.365 25.647 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 107.857 -1.939 27.172 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 107.324 -0.336 26.996 1.00 1.94 H new ATOM 290 N VAL A 21 112.827 -1.136 24.802 1.00 1.80 N ATOM 291 CA VAL A 21 112.244 -1.366 23.449 1.00 1.71 C ATOM 292 C VAL A 21 113.194 -2.245 22.639 1.00 1.76 C ATOM 293 O VAL A 21 114.285 -1.840 22.290 1.00 1.81 O ATOM 294 CB VAL A 21 112.047 -0.026 22.735 1.00 1.64 C ATOM 295 CG1 VAL A 21 111.622 -0.272 21.285 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.962 0.782 23.452 1.00 1.75 C ATOM 0 H VAL A 21 113.018 -0.161 25.035 1.00 1.80 H new ATOM 0 HA VAL A 21 111.278 -1.862 23.547 1.00 1.71 H new ATOM 0 HB VAL A 21 112.985 0.530 22.749 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.483 0.684 20.780 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.394 -0.845 20.772 1.00 2.07 H new ATOM 0 HG13 VAL A 21 110.686 -0.830 21.270 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.822 1.736 22.943 1.00 1.75 H new ATOM 0 HG22 VAL A 21 110.026 0.224 23.441 1.00 1.75 H new ATOM 0 HG23 VAL A 21 111.264 0.962 24.484 1.00 1.75 H new ATOM 306 N ARG A 22 112.785 -3.450 22.346 1.00 1.78 N ATOM 307 CA ARG A 22 113.650 -4.383 21.564 1.00 1.85 C ATOM 308 C ARG A 22 113.140 -4.472 20.125 1.00 1.74 C ATOM 309 O ARG A 22 111.967 -4.676 19.880 1.00 1.66 O ATOM 310 CB ARG A 22 113.591 -5.766 22.219 1.00 1.96 C ATOM 311 CG ARG A 22 114.330 -6.805 21.360 1.00 2.03 C ATOM 312 CD ARG A 22 115.755 -6.327 21.055 1.00 2.18 C ATOM 313 NE ARG A 22 116.331 -5.644 22.248 1.00 2.75 N ATOM 314 CZ ARG A 22 117.617 -5.438 22.321 1.00 3.10 C ATOM 315 NH1 ARG A 22 118.398 -5.832 21.352 1.00 3.50 N ATOM 316 NH2 ARG A 22 118.123 -4.839 23.364 1.00 3.33 N ATOM 0 H ARG A 22 111.879 -3.833 22.617 1.00 1.78 H new ATOM 0 HA ARG A 22 114.678 -4.019 21.553 1.00 1.85 H new ATOM 0 HB2 ARG A 22 114.038 -5.723 23.212 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.552 -6.068 22.350 1.00 1.96 H new ATOM 0 HG2 ARG A 22 114.364 -7.761 21.883 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.787 -6.970 20.429 1.00 2.03 H new ATOM 0 HD2 ARG A 22 116.380 -7.175 20.775 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.744 -5.645 20.205 1.00 2.18 H new ATOM 0 HE ARG A 22 115.721 -5.338 23.006 1.00 2.75 H new ATOM 0 HH11 ARG A 22 118.003 -6.301 20.537 1.00 3.50 H new ATOM 0 HH12 ARG A 22 119.403 -5.671 21.410 1.00 3.50 H new ATOM 0 HH21 ARG A 22 117.513 -4.532 24.122 1.00 3.33 H new ATOM 0 HH22 ARG A 22 119.129 -4.678 23.422 1.00 3.33 H new ATOM 330 N ALA A 23 114.022 -4.329 19.170 1.00 1.77 N ATOM 331 CA ALA A 23 113.620 -4.411 17.734 1.00 1.68 C ATOM 332 C ALA A 23 114.657 -5.248 16.985 1.00 1.77 C ATOM 333 O ALA A 23 115.802 -4.861 16.854 1.00 1.83 O ATOM 334 CB ALA A 23 113.572 -3.002 17.138 1.00 1.59 C ATOM 0 H ALA A 23 115.015 -4.157 19.326 1.00 1.77 H new ATOM 0 HA ALA A 23 112.636 -4.871 17.646 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.279 -3.060 16.090 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.846 -2.400 17.685 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.557 -2.541 17.214 1.00 1.59 H new ATOM 340 N GLY A 24 114.273 -6.398 16.500 1.00 1.80 N ATOM 341 CA GLY A 24 115.247 -7.262 15.770 1.00 1.90 C ATOM 342 C GLY A 24 114.497 -8.196 14.819 1.00 1.86 C ATOM 343 O GLY A 24 113.507 -8.800 15.182 1.00 1.86 O ATOM 0 H GLY A 24 113.329 -6.777 16.577 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.948 -6.643 15.210 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.834 -7.845 16.480 1.00 1.90 H new ATOM 347 N GLY A 25 114.960 -8.324 13.604 1.00 1.85 N ATOM 348 CA GLY A 25 114.268 -9.223 12.638 1.00 1.84 C ATOM 349 C GLY A 25 115.022 -9.240 11.307 1.00 1.84 C ATOM 350 O GLY A 25 116.066 -8.635 11.163 1.00 1.84 O ATOM 0 H GLY A 25 115.785 -7.846 13.241 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.210 -10.232 13.045 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.244 -8.883 12.481 1.00 1.84 H new ATOM 354 N THR A 26 114.497 -9.930 10.331 1.00 1.86 N ATOM 355 CA THR A 26 115.181 -9.993 9.005 1.00 1.87 C ATOM 356 C THR A 26 114.890 -8.714 8.218 1.00 1.75 C ATOM 357 O THR A 26 115.659 -8.304 7.365 1.00 1.76 O ATOM 358 CB THR A 26 114.661 -11.202 8.221 1.00 1.96 C ATOM 359 OG1 THR A 26 113.248 -11.273 8.348 1.00 2.31 O ATOM 360 CG2 THR A 26 115.290 -12.483 8.772 1.00 2.29 C ATOM 0 H THR A 26 113.624 -10.453 10.393 1.00 1.86 H new ATOM 0 HA THR A 26 116.256 -10.090 9.156 1.00 1.87 H new ATOM 0 HB THR A 26 114.928 -11.095 7.170 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.016 -11.845 9.109 1.00 2.31 H new ATOM 0 HG21 THR A 26 114.918 -13.341 8.212 1.00 2.29 H new ATOM 0 HG22 THR A 26 116.374 -12.428 8.673 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.027 -12.594 9.824 1.00 2.29 H new ATOM 368 N GLY A 27 113.790 -8.075 8.502 1.00 1.64 N ATOM 369 CA GLY A 27 113.455 -6.822 7.777 1.00 1.54 C ATOM 370 C GLY A 27 114.432 -5.738 8.209 1.00 1.50 C ATOM 371 O GLY A 27 114.567 -4.712 7.573 1.00 1.46 O ATOM 0 H GLY A 27 113.110 -8.367 9.204 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.516 -6.980 6.700 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.431 -6.519 7.997 1.00 1.54 H new ATOM 375 N LEU A 28 115.125 -5.970 9.290 1.00 1.57 N ATOM 376 CA LEU A 28 116.114 -4.972 9.782 1.00 1.59 C ATOM 377 C LEU A 28 117.484 -5.327 9.212 1.00 1.69 C ATOM 378 O LEU A 28 118.503 -5.124 9.841 1.00 1.83 O ATOM 379 CB LEU A 28 116.169 -5.027 11.310 1.00 1.65 C ATOM 380 CG LEU A 28 114.854 -4.502 11.907 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.775 -4.905 13.384 1.00 1.66 C ATOM 382 CD2 LEU A 28 114.781 -2.968 11.790 1.00 1.61 C ATOM 0 H LEU A 28 115.047 -6.814 9.857 1.00 1.57 H new ATOM 0 HA LEU A 28 115.826 -3.969 9.467 1.00 1.59 H new ATOM 0 HB2 LEU A 28 116.342 -6.052 11.638 1.00 1.65 H new ATOM 0 HB3 LEU A 28 117.006 -4.430 11.673 1.00 1.65 H new ATOM 0 HG LEU A 28 114.019 -4.934 11.356 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.844 -4.535 13.813 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.806 -5.991 13.467 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.619 -4.476 13.924 1.00 1.66 H new ATOM 0 HD21 LEU A 28 113.843 -2.615 12.218 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.617 -2.522 12.329 1.00 1.61 H new ATOM 0 HD23 LEU A 28 114.832 -2.680 10.740 1.00 1.61 H new ATOM 394 N GLU A 29 117.515 -5.867 8.022 1.00 1.73 N ATOM 395 CA GLU A 29 118.817 -6.251 7.402 1.00 1.84 C ATOM 396 C GLU A 29 118.765 -6.004 5.891 1.00 1.75 C ATOM 397 O GLU A 29 119.598 -5.309 5.343 1.00 1.78 O ATOM 398 CB GLU A 29 119.086 -7.734 7.673 1.00 2.00 C ATOM 399 CG GLU A 29 118.739 -8.058 9.129 1.00 2.06 C ATOM 400 CD GLU A 29 119.134 -9.503 9.439 1.00 1.98 C ATOM 401 OE1 GLU A 29 119.390 -10.240 8.501 1.00 2.21 O ATOM 402 OE2 GLU A 29 119.175 -9.848 10.608 1.00 2.34 O ATOM 0 H GLU A 29 116.692 -6.059 7.451 1.00 1.73 H new ATOM 0 HA GLU A 29 119.617 -5.649 7.833 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.491 -8.351 7.000 1.00 2.00 H new ATOM 0 HB3 GLU A 29 120.133 -7.966 7.477 1.00 2.00 H new ATOM 0 HG2 GLU A 29 119.262 -7.375 9.799 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.672 -7.917 9.300 1.00 2.06 H new ATOM 409 N ARG A 30 117.804 -6.571 5.206 1.00 1.69 N ATOM 410 CA ARG A 30 117.729 -6.362 3.724 1.00 1.64 C ATOM 411 C ARG A 30 116.298 -6.588 3.226 1.00 1.59 C ATOM 412 O ARG A 30 115.534 -7.328 3.814 1.00 1.61 O ATOM 413 CB ARG A 30 118.656 -7.363 3.025 1.00 1.75 C ATOM 414 CG ARG A 30 120.121 -7.006 3.295 1.00 2.21 C ATOM 415 CD ARG A 30 121.020 -7.779 2.327 1.00 2.47 C ATOM 416 NE ARG A 30 120.493 -9.163 2.161 1.00 2.96 N ATOM 417 CZ ARG A 30 120.917 -9.910 1.180 1.00 3.36 C ATOM 418 NH1 ARG A 30 121.803 -9.446 0.343 1.00 3.77 N ATOM 419 NH2 ARG A 30 120.456 -11.123 1.036 1.00 3.76 N ATOM 0 H ARG A 30 117.074 -7.164 5.602 1.00 1.69 H new ATOM 0 HA ARG A 30 118.033 -5.340 3.498 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.448 -8.372 3.381 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.465 -7.358 1.952 1.00 1.75 H new ATOM 0 HG2 ARG A 30 120.274 -5.934 3.173 1.00 2.21 H new ATOM 0 HG3 ARG A 30 120.382 -7.250 4.325 1.00 2.21 H new ATOM 0 HD2 ARG A 30 121.054 -7.273 1.362 1.00 2.47 H new ATOM 0 HD3 ARG A 30 122.041 -7.810 2.707 1.00 2.47 H new ATOM 0 HE ARG A 30 119.800 -9.526 2.815 1.00 2.96 H new ATOM 0 HH11 ARG A 30 122.164 -8.499 0.456 1.00 3.77 H new ATOM 0 HH12 ARG A 30 122.135 -10.030 -0.424 1.00 3.77 H new ATOM 0 HH21 ARG A 30 119.764 -11.487 1.691 1.00 3.76 H new ATOM 0 HH22 ARG A 30 120.788 -11.707 0.268 1.00 3.76 H new ATOM 433 N GLY A 31 115.935 -5.964 2.129 1.00 1.54 N ATOM 434 CA GLY A 31 114.563 -6.148 1.564 1.00 1.52 C ATOM 435 C GLY A 31 114.678 -6.219 0.042 1.00 1.55 C ATOM 436 O GLY A 31 115.735 -5.995 -0.512 1.00 1.57 O ATOM 0 H GLY A 31 116.535 -5.332 1.599 1.00 1.54 H new ATOM 0 HA2 GLY A 31 114.111 -7.060 1.954 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.917 -5.321 1.858 1.00 1.52 H new ATOM 440 N VAL A 32 113.608 -6.543 -0.643 1.00 1.56 N ATOM 441 CA VAL A 32 113.668 -6.637 -2.138 1.00 1.60 C ATOM 442 C VAL A 32 112.444 -5.952 -2.769 1.00 1.53 C ATOM 443 O VAL A 32 111.360 -5.930 -2.211 1.00 1.50 O ATOM 444 CB VAL A 32 113.729 -8.121 -2.539 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.412 -8.289 -4.030 1.00 1.80 C ATOM 446 CG2 VAL A 32 115.131 -8.676 -2.251 1.00 1.83 C ATOM 0 H VAL A 32 112.696 -6.746 -0.233 1.00 1.56 H new ATOM 0 HA VAL A 32 114.559 -6.126 -2.503 1.00 1.60 H new ATOM 0 HB VAL A 32 112.988 -8.669 -1.957 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.460 -9.345 -4.295 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.411 -7.909 -4.234 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.139 -7.733 -4.622 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.172 -9.727 -2.536 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.869 -8.116 -2.825 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.349 -8.580 -1.187 1.00 1.83 H new ATOM 456 N ALA A 33 112.632 -5.394 -3.938 1.00 1.51 N ATOM 457 CA ALA A 33 111.523 -4.692 -4.658 1.00 1.46 C ATOM 458 C ALA A 33 110.181 -5.430 -4.494 1.00 1.53 C ATOM 459 O ALA A 33 109.937 -6.438 -5.128 1.00 1.64 O ATOM 460 CB ALA A 33 111.890 -4.625 -6.155 1.00 1.51 C ATOM 0 H ALA A 33 113.523 -5.395 -4.434 1.00 1.51 H new ATOM 0 HA ALA A 33 111.405 -3.694 -4.236 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.096 -4.117 -6.702 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.823 -4.075 -6.277 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.010 -5.635 -6.546 1.00 1.51 H new ATOM 466 N GLY A 34 109.294 -4.907 -3.692 1.00 1.46 N ATOM 467 CA GLY A 34 107.956 -5.543 -3.538 1.00 1.52 C ATOM 468 C GLY A 34 108.056 -6.936 -2.917 1.00 1.62 C ATOM 469 O GLY A 34 107.584 -7.899 -3.488 1.00 1.73 O ATOM 0 H GLY A 34 109.439 -4.065 -3.136 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.323 -4.912 -2.914 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.473 -5.614 -4.513 1.00 1.52 H new ATOM 473 N VAL A 35 108.641 -7.056 -1.745 1.00 1.59 N ATOM 474 CA VAL A 35 108.739 -8.400 -1.079 1.00 1.69 C ATOM 475 C VAL A 35 108.139 -8.300 0.348 1.00 1.61 C ATOM 476 O VAL A 35 108.469 -7.372 1.059 1.00 1.55 O ATOM 477 CB VAL A 35 110.221 -8.819 -0.996 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.943 -8.071 0.136 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.317 -10.326 -0.738 1.00 2.19 C ATOM 0 H VAL A 35 109.054 -6.284 -1.222 1.00 1.59 H new ATOM 0 HA VAL A 35 108.188 -9.144 -1.654 1.00 1.69 H new ATOM 0 HB VAL A 35 110.698 -8.568 -1.943 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.986 -8.385 0.172 1.00 2.04 H new ATOM 0 HG12 VAL A 35 110.894 -6.998 -0.048 1.00 2.04 H new ATOM 0 HG13 VAL A 35 110.462 -8.299 1.087 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.365 -10.619 -0.680 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.820 -10.567 0.202 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.834 -10.866 -1.552 1.00 2.19 H new ATOM 489 N PRO A 36 107.299 -9.243 0.762 1.00 1.67 N ATOM 490 CA PRO A 36 106.733 -9.191 2.124 1.00 1.61 C ATOM 491 C PRO A 36 107.887 -9.199 3.132 1.00 1.61 C ATOM 492 O PRO A 36 108.620 -10.163 3.227 1.00 1.74 O ATOM 493 CB PRO A 36 105.857 -10.461 2.249 1.00 1.76 C ATOM 494 CG PRO A 36 105.959 -11.232 0.900 1.00 1.96 C ATOM 495 CD PRO A 36 106.850 -10.399 -0.049 1.00 1.85 C ATOM 0 HA PRO A 36 106.140 -8.297 2.315 1.00 1.61 H new ATOM 0 HB2 PRO A 36 106.201 -11.085 3.074 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.822 -10.194 2.461 1.00 1.76 H new ATOM 0 HG2 PRO A 36 106.387 -12.222 1.056 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.970 -11.378 0.467 1.00 1.96 H new ATOM 0 HD2 PRO A 36 107.698 -10.983 -0.408 1.00 1.85 H new ATOM 0 HD3 PRO A 36 106.293 -10.072 -0.927 1.00 1.85 H new ATOM 503 N ALA A 37 108.064 -8.130 3.875 1.00 1.53 N ATOM 504 CA ALA A 37 109.188 -8.079 4.868 1.00 1.62 C ATOM 505 C ALA A 37 108.638 -7.709 6.240 1.00 1.53 C ATOM 506 O ALA A 37 107.666 -6.988 6.355 1.00 1.52 O ATOM 507 CB ALA A 37 110.202 -7.024 4.425 1.00 1.69 C ATOM 0 H ALA A 37 107.481 -7.294 3.837 1.00 1.53 H new ATOM 0 HA ALA A 37 109.672 -9.054 4.923 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.021 -6.983 5.143 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.594 -7.286 3.442 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.715 -6.050 4.374 1.00 1.69 H new ATOM 513 N GLU A 38 109.247 -8.195 7.288 1.00 1.50 N ATOM 514 CA GLU A 38 108.744 -7.863 8.649 1.00 1.45 C ATOM 515 C GLU A 38 109.846 -8.026 9.686 1.00 1.50 C ATOM 516 O GLU A 38 110.927 -8.507 9.412 1.00 1.60 O ATOM 517 CB GLU A 38 107.566 -8.788 9.010 1.00 1.54 C ATOM 518 CG GLU A 38 108.078 -10.179 9.417 1.00 1.68 C ATOM 519 CD GLU A 38 106.944 -11.201 9.311 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.297 -11.234 8.277 1.00 2.12 O ATOM 521 OE2 GLU A 38 106.742 -11.933 10.265 1.00 2.23 O ATOM 0 H GLU A 38 110.065 -8.803 7.260 1.00 1.50 H new ATOM 0 HA GLU A 38 108.412 -6.825 8.648 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.991 -8.352 9.827 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.892 -8.877 8.158 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.907 -10.474 8.774 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.461 -10.151 10.437 1.00 1.68 H new ATOM 528 N PHE A 39 109.544 -7.645 10.887 1.00 1.46 N ATOM 529 CA PHE A 39 110.518 -7.778 11.994 1.00 1.54 C ATOM 530 C PHE A 39 109.742 -7.745 13.304 1.00 1.53 C ATOM 531 O PHE A 39 108.570 -7.423 13.334 1.00 1.50 O ATOM 532 CB PHE A 39 111.559 -6.650 11.953 1.00 1.54 C ATOM 533 CG PHE A 39 110.894 -5.296 12.070 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.078 -4.829 11.037 1.00 1.36 C ATOM 535 CD2 PHE A 39 111.113 -4.497 13.201 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.476 -3.570 11.130 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.514 -3.235 13.293 1.00 1.37 C ATOM 538 CZ PHE A 39 109.694 -2.773 12.258 1.00 1.30 C ATOM 0 H PHE A 39 108.647 -7.239 11.154 1.00 1.46 H new ATOM 0 HA PHE A 39 111.062 -8.718 11.899 1.00 1.54 H new ATOM 0 HB2 PHE A 39 112.274 -6.780 12.766 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.122 -6.703 11.021 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.911 -5.442 10.164 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.744 -4.855 14.001 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.843 -3.214 10.331 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.685 -2.618 14.163 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.229 -1.801 12.330 1.00 1.30 H new ATOM 548 N SER A 40 110.373 -8.102 14.378 1.00 1.60 N ATOM 549 CA SER A 40 109.669 -8.130 15.697 1.00 1.61 C ATOM 550 C SER A 40 109.957 -6.853 16.492 1.00 1.59 C ATOM 551 O SER A 40 111.004 -6.248 16.366 1.00 1.64 O ATOM 552 CB SER A 40 110.157 -9.338 16.497 1.00 1.73 C ATOM 553 OG SER A 40 109.837 -9.153 17.869 1.00 2.37 O ATOM 0 H SER A 40 111.354 -8.379 14.408 1.00 1.60 H new ATOM 0 HA SER A 40 108.595 -8.198 15.521 1.00 1.61 H new ATOM 0 HB2 SER A 40 109.690 -10.249 16.123 1.00 1.73 H new ATOM 0 HB3 SER A 40 111.234 -9.458 16.376 1.00 1.73 H new ATOM 0 HG SER A 40 110.634 -9.317 18.416 1.00 2.37 H new ATOM 559 N ILE A 41 109.031 -6.451 17.327 1.00 1.54 N ATOM 560 CA ILE A 41 109.227 -5.226 18.163 1.00 1.54 C ATOM 561 C ILE A 41 108.623 -5.473 19.547 1.00 1.60 C ATOM 562 O ILE A 41 107.463 -5.198 19.783 1.00 1.65 O ATOM 563 CB ILE A 41 108.519 -4.031 17.521 1.00 1.45 C ATOM 564 CG1 ILE A 41 108.876 -3.951 16.033 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.962 -2.745 18.222 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.326 -2.647 15.436 1.00 1.34 C ATOM 0 H ILE A 41 108.138 -6.924 17.466 1.00 1.54 H new ATOM 0 HA ILE A 41 110.293 -5.011 18.243 1.00 1.54 H new ATOM 0 HB ILE A 41 107.441 -4.153 17.623 1.00 1.45 H new ATOM 0 HG12 ILE A 41 109.958 -3.992 15.906 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.460 -4.808 15.503 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.460 -1.891 17.767 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.702 -2.799 19.279 1.00 1.50 H new ATOM 0 HG23 ILE A 41 110.041 -2.628 18.120 1.00 1.50 H new ATOM 0 HD11 ILE A 41 108.582 -2.595 14.378 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.242 -2.624 15.548 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.763 -1.795 15.958 1.00 1.34 H new ATOM 578 N TRP A 42 109.394 -5.990 20.465 1.00 1.65 N ATOM 579 CA TRP A 42 108.853 -6.253 21.832 1.00 1.71 C ATOM 580 C TRP A 42 108.966 -4.968 22.665 1.00 1.77 C ATOM 581 O TRP A 42 109.921 -4.226 22.557 1.00 1.78 O ATOM 582 CB TRP A 42 109.653 -7.410 22.472 1.00 1.88 C ATOM 583 CG TRP A 42 109.663 -7.301 23.970 1.00 2.08 C ATOM 584 CD1 TRP A 42 110.431 -6.442 24.679 1.00 2.66 C ATOM 585 CD2 TRP A 42 108.888 -8.057 24.946 1.00 2.36 C ATOM 586 NE1 TRP A 42 110.177 -6.621 26.027 1.00 2.89 N ATOM 587 CE2 TRP A 42 109.233 -7.606 26.242 1.00 2.64 C ATOM 588 CE3 TRP A 42 107.929 -9.080 24.835 1.00 3.00 C ATOM 589 CZ2 TRP A 42 108.649 -8.150 27.387 1.00 3.08 C ATOM 590 CZ3 TRP A 42 107.339 -9.630 25.985 1.00 3.68 C ATOM 591 CH2 TRP A 42 107.698 -9.165 27.258 1.00 3.56 C ATOM 0 H TRP A 42 110.373 -6.242 20.329 1.00 1.65 H new ATOM 0 HA TRP A 42 107.804 -6.544 21.787 1.00 1.71 H new ATOM 0 HB2 TRP A 42 109.216 -8.364 22.177 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.676 -7.399 22.097 1.00 1.88 H new ATOM 0 HD1 TRP A 42 111.129 -5.732 24.261 1.00 2.66 H new ATOM 0 HE1 TRP A 42 110.631 -6.091 26.771 1.00 2.89 H new ATOM 0 HE3 TRP A 42 107.644 -9.445 23.859 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.930 -7.789 28.365 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 106.604 -10.416 25.888 1.00 3.68 H new ATOM 0 HH2 TRP A 42 107.240 -9.591 28.138 1.00 3.56 H new ATOM 602 N THR A 43 107.990 -4.704 23.490 1.00 1.91 N ATOM 603 CA THR A 43 108.029 -3.471 24.325 1.00 2.07 C ATOM 604 C THR A 43 106.878 -3.507 25.335 1.00 1.92 C ATOM 605 O THR A 43 105.720 -3.521 24.967 1.00 2.17 O ATOM 606 CB THR A 43 107.876 -2.243 23.420 1.00 2.42 C ATOM 607 OG1 THR A 43 107.347 -1.163 24.175 1.00 2.72 O ATOM 608 CG2 THR A 43 106.929 -2.572 22.263 1.00 2.89 C ATOM 0 H THR A 43 107.166 -5.290 23.622 1.00 1.91 H new ATOM 0 HA THR A 43 108.979 -3.417 24.857 1.00 2.07 H new ATOM 0 HB THR A 43 108.851 -1.964 23.020 1.00 2.42 H new ATOM 0 HG1 THR A 43 107.250 -0.377 23.598 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.822 -1.698 21.621 1.00 2.89 H new ATOM 0 HG22 THR A 43 107.337 -3.400 21.683 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.953 -2.853 22.660 1.00 2.89 H new ATOM 616 N ARG A 44 107.184 -3.525 26.604 1.00 1.96 N ATOM 617 CA ARG A 44 106.100 -3.564 27.628 1.00 1.92 C ATOM 618 C ARG A 44 106.675 -3.205 29.003 1.00 1.92 C ATOM 619 O ARG A 44 105.948 -2.964 29.946 1.00 2.18 O ATOM 620 CB ARG A 44 105.495 -4.974 27.673 1.00 2.09 C ATOM 621 CG ARG A 44 104.123 -4.938 28.371 1.00 2.62 C ATOM 622 CD ARG A 44 103.077 -4.215 27.494 1.00 3.00 C ATOM 623 NE ARG A 44 101.703 -4.761 27.775 1.00 3.63 N ATOM 624 CZ ARG A 44 101.411 -6.024 27.600 1.00 4.14 C ATOM 625 NH1 ARG A 44 102.275 -6.833 27.049 1.00 4.51 N ATOM 626 NH2 ARG A 44 100.234 -6.471 27.944 1.00 4.63 N ATOM 0 H ARG A 44 108.134 -3.514 26.975 1.00 1.96 H new ATOM 0 HA ARG A 44 105.325 -2.843 27.366 1.00 1.92 H new ATOM 0 HB2 ARG A 44 105.387 -5.364 26.661 1.00 2.09 H new ATOM 0 HB3 ARG A 44 106.165 -5.649 28.205 1.00 2.09 H new ATOM 0 HG2 ARG A 44 103.789 -5.955 28.578 1.00 2.62 H new ATOM 0 HG3 ARG A 44 104.212 -4.430 29.331 1.00 2.62 H new ATOM 0 HD2 ARG A 44 103.100 -3.144 27.695 1.00 3.00 H new ATOM 0 HD3 ARG A 44 103.321 -4.347 26.440 1.00 3.00 H new ATOM 0 HE ARG A 44 100.978 -4.127 28.112 1.00 3.63 H new ATOM 0 HH11 ARG A 44 103.185 -6.481 26.752 1.00 4.51 H new ATOM 0 HH12 ARG A 44 102.040 -7.817 26.916 1.00 4.51 H new ATOM 0 HH21 ARG A 44 99.545 -5.836 28.348 1.00 4.63 H new ATOM 0 HH22 ARG A 44 100.003 -7.455 27.809 1.00 4.63 H new ATOM 640 N GLU A 45 107.974 -3.173 29.130 1.00 1.87 N ATOM 641 CA GLU A 45 108.581 -2.837 30.451 1.00 1.94 C ATOM 642 C GLU A 45 108.310 -1.365 30.787 1.00 1.84 C ATOM 643 O GLU A 45 107.896 -1.038 31.881 1.00 1.87 O ATOM 644 CB GLU A 45 110.097 -3.092 30.403 1.00 2.09 C ATOM 645 CG GLU A 45 110.629 -3.340 31.818 1.00 2.37 C ATOM 646 CD GLU A 45 110.327 -2.125 32.697 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.071 -1.162 32.618 1.00 2.89 O ATOM 648 OE2 GLU A 45 109.356 -2.179 33.434 1.00 2.73 O ATOM 0 H GLU A 45 108.639 -3.364 28.380 1.00 1.87 H new ATOM 0 HA GLU A 45 108.136 -3.466 31.222 1.00 1.94 H new ATOM 0 HB2 GLU A 45 110.310 -3.953 29.769 1.00 2.09 H new ATOM 0 HB3 GLU A 45 110.605 -2.236 29.959 1.00 2.09 H new ATOM 0 HG2 GLU A 45 110.167 -4.232 32.241 1.00 2.37 H new ATOM 0 HG3 GLU A 45 111.703 -3.522 31.787 1.00 2.37 H new ATOM 655 N ALA A 46 108.540 -0.475 29.859 1.00 1.74 N ATOM 656 CA ALA A 46 108.292 0.966 30.139 1.00 1.71 C ATOM 657 C ALA A 46 106.820 1.166 30.487 1.00 1.64 C ATOM 658 O ALA A 46 106.480 1.624 31.560 1.00 1.71 O ATOM 659 CB ALA A 46 108.635 1.801 28.904 1.00 1.66 C ATOM 0 H ALA A 46 108.888 -0.684 28.923 1.00 1.74 H new ATOM 0 HA ALA A 46 108.917 1.283 30.974 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.452 2.855 29.115 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.685 1.659 28.649 1.00 1.66 H new ATOM 0 HB3 ALA A 46 108.013 1.485 28.067 1.00 1.66 H new ATOM 665 N GLY A 47 105.940 0.824 29.584 1.00 1.60 N ATOM 666 CA GLY A 47 104.480 0.990 29.851 1.00 1.58 C ATOM 667 C GLY A 47 103.771 1.424 28.569 1.00 1.42 C ATOM 668 O GLY A 47 104.199 1.115 27.476 1.00 1.37 O ATOM 0 H GLY A 47 106.170 0.435 28.669 1.00 1.60 H new ATOM 0 HA2 GLY A 47 104.057 0.053 30.213 1.00 1.58 H new ATOM 0 HA3 GLY A 47 104.325 1.733 30.634 1.00 1.58 H new ATOM 672 N ALA A 48 102.688 2.136 28.699 1.00 1.40 N ATOM 673 CA ALA A 48 101.940 2.597 27.494 1.00 1.27 C ATOM 674 C ALA A 48 102.620 3.840 26.914 1.00 1.21 C ATOM 675 O ALA A 48 103.413 4.487 27.569 1.00 1.37 O ATOM 676 CB ALA A 48 100.503 2.939 27.889 1.00 1.32 C ATOM 0 H ALA A 48 102.285 2.421 29.592 1.00 1.40 H new ATOM 0 HA ALA A 48 101.934 1.805 26.745 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.954 3.276 27.010 1.00 1.32 H new ATOM 0 HB2 ALA A 48 100.019 2.054 28.302 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.510 3.731 28.638 1.00 1.32 H new ATOM 682 N GLY A 49 102.317 4.180 25.689 1.00 1.04 N ATOM 683 CA GLY A 49 102.951 5.381 25.073 1.00 1.02 C ATOM 684 C GLY A 49 102.549 5.477 23.600 1.00 0.87 C ATOM 685 O GLY A 49 101.436 5.161 23.227 1.00 0.71 O ATOM 0 H GLY A 49 101.660 3.679 25.090 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.641 6.281 25.604 1.00 1.02 H new ATOM 0 HA3 GLY A 49 104.036 5.317 25.161 1.00 1.02 H new ATOM 689 N GLY A 50 103.449 5.912 22.756 1.00 0.98 N ATOM 690 CA GLY A 50 103.124 6.033 21.302 1.00 0.86 C ATOM 691 C GLY A 50 104.385 5.783 20.473 1.00 0.86 C ATOM 692 O GLY A 50 105.413 6.392 20.687 1.00 1.06 O ATOM 0 H GLY A 50 104.397 6.189 23.011 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.350 5.315 21.031 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.727 7.026 21.089 1.00 0.86 H new ATOM 696 N LEU A 51 104.309 4.889 19.522 1.00 0.74 N ATOM 697 CA LEU A 51 105.494 4.584 18.660 1.00 0.75 C ATOM 698 C LEU A 51 105.311 5.268 17.313 1.00 0.68 C ATOM 699 O LEU A 51 104.513 4.844 16.512 1.00 0.60 O ATOM 700 CB LEU A 51 105.582 3.064 18.459 1.00 0.74 C ATOM 701 CG LEU A 51 106.811 2.695 17.609 1.00 0.81 C ATOM 702 CD1 LEU A 51 108.106 2.984 18.385 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.743 1.204 17.260 1.00 0.77 C ATOM 0 H LEU A 51 103.470 4.352 19.302 1.00 0.74 H new ATOM 0 HA LEU A 51 106.409 4.944 19.131 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.642 2.567 19.428 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.676 2.704 17.972 1.00 0.74 H new ATOM 0 HG LEU A 51 106.811 3.294 16.698 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.966 2.718 17.770 1.00 1.10 H new ATOM 0 HD12 LEU A 51 108.152 4.044 18.634 1.00 1.10 H new ATOM 0 HD13 LEU A 51 108.120 2.395 19.302 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.609 0.931 16.657 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.739 0.615 18.177 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.832 1.003 16.697 1.00 0.77 H new ATOM 715 N SER A 52 106.055 6.319 17.066 1.00 0.75 N ATOM 716 CA SER A 52 105.952 7.048 15.766 1.00 0.71 C ATOM 717 C SER A 52 106.954 6.439 14.784 1.00 0.70 C ATOM 718 O SER A 52 108.051 6.082 15.172 1.00 0.78 O ATOM 719 CB SER A 52 106.294 8.524 15.988 1.00 0.82 C ATOM 720 OG SER A 52 106.856 9.061 14.798 1.00 1.56 O ATOM 0 H SER A 52 106.737 6.706 17.719 1.00 0.75 H new ATOM 0 HA SER A 52 104.941 6.965 15.368 1.00 0.71 H new ATOM 0 HB2 SER A 52 105.397 9.079 16.263 1.00 0.82 H new ATOM 0 HB3 SER A 52 106.998 8.626 16.814 1.00 0.82 H new ATOM 0 HG SER A 52 107.074 10.006 14.937 1.00 1.56 H new ATOM 726 N ILE A 53 106.599 6.307 13.518 1.00 0.61 N ATOM 727 CA ILE A 53 107.551 5.712 12.527 1.00 0.61 C ATOM 728 C ILE A 53 107.607 6.595 11.281 1.00 0.57 C ATOM 729 O ILE A 53 106.729 6.558 10.441 1.00 0.65 O ATOM 730 CB ILE A 53 107.067 4.316 12.130 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.884 3.459 13.386 1.00 0.64 C ATOM 732 CG2 ILE A 53 108.102 3.660 11.213 1.00 0.63 C ATOM 733 CD1 ILE A 53 106.162 2.162 13.018 1.00 0.64 C ATOM 0 H ILE A 53 105.695 6.586 13.136 1.00 0.61 H new ATOM 0 HA ILE A 53 108.543 5.644 12.974 1.00 0.61 H new ATOM 0 HB ILE A 53 106.115 4.399 11.606 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.854 3.234 13.830 1.00 0.64 H new ATOM 0 HG13 ILE A 53 106.310 4.008 14.133 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.758 2.665 10.929 1.00 0.63 H new ATOM 0 HG22 ILE A 53 108.232 4.268 10.318 1.00 0.63 H new ATOM 0 HG23 ILE A 53 109.054 3.579 11.738 1.00 0.63 H new ATOM 0 HD11 ILE A 53 106.032 1.552 13.912 1.00 0.64 H new ATOM 0 HD12 ILE A 53 105.186 2.397 12.593 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.753 1.612 12.286 1.00 0.64 H new ATOM 745 N ALA A 54 108.642 7.381 11.147 1.00 0.60 N ATOM 746 CA ALA A 54 108.769 8.259 9.951 1.00 0.57 C ATOM 747 C ALA A 54 109.590 7.524 8.896 1.00 0.54 C ATOM 748 O ALA A 54 110.792 7.385 9.013 1.00 0.63 O ATOM 749 CB ALA A 54 109.485 9.554 10.341 1.00 0.69 C ATOM 0 H ALA A 54 109.407 7.452 11.818 1.00 0.60 H new ATOM 0 HA ALA A 54 107.781 8.501 9.558 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.578 10.196 9.465 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.910 10.070 11.110 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.478 9.319 10.726 1.00 0.69 H new ATOM 755 N VAL A 55 108.946 7.047 7.869 1.00 0.45 N ATOM 756 CA VAL A 55 109.675 6.309 6.794 1.00 0.47 C ATOM 757 C VAL A 55 110.014 7.277 5.658 1.00 0.41 C ATOM 758 O VAL A 55 109.259 8.174 5.341 1.00 0.39 O ATOM 759 CB VAL A 55 108.790 5.162 6.251 1.00 0.47 C ATOM 760 CG1 VAL A 55 109.099 3.856 6.996 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.310 5.510 6.448 1.00 0.79 C ATOM 0 H VAL A 55 107.940 7.136 7.725 1.00 0.45 H new ATOM 0 HA VAL A 55 110.593 5.887 7.203 1.00 0.47 H new ATOM 0 HB VAL A 55 109.001 5.033 5.190 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.470 3.056 6.605 1.00 0.91 H new ATOM 0 HG12 VAL A 55 110.148 3.595 6.854 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.899 3.988 8.059 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.691 4.699 6.064 1.00 0.79 H new ATOM 0 HG22 VAL A 55 107.107 5.649 7.510 1.00 0.79 H new ATOM 0 HG23 VAL A 55 107.078 6.429 5.910 1.00 0.79 H new ATOM 771 N GLU A 56 111.145 7.084 5.034 1.00 0.44 N ATOM 772 CA GLU A 56 111.550 7.967 3.903 1.00 0.40 C ATOM 773 C GLU A 56 112.226 7.095 2.839 1.00 0.43 C ATOM 774 O GLU A 56 112.911 6.142 3.150 1.00 0.52 O ATOM 775 CB GLU A 56 112.504 9.057 4.426 1.00 0.47 C ATOM 776 CG GLU A 56 113.332 9.646 3.275 1.00 0.49 C ATOM 777 CD GLU A 56 113.919 10.995 3.695 1.00 1.08 C ATOM 778 OE1 GLU A 56 113.977 11.248 4.887 1.00 1.80 O ATOM 779 OE2 GLU A 56 114.300 11.753 2.818 1.00 1.71 O ATOM 0 H GLU A 56 111.811 6.346 5.262 1.00 0.44 H new ATOM 0 HA GLU A 56 110.686 8.463 3.461 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.931 9.847 4.911 1.00 0.47 H new ATOM 0 HB3 GLU A 56 113.168 8.636 5.181 1.00 0.47 H new ATOM 0 HG2 GLU A 56 114.134 8.959 3.003 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.706 9.771 2.391 1.00 0.49 H new ATOM 786 N GLY A 57 112.028 7.402 1.586 1.00 0.41 N ATOM 787 CA GLY A 57 112.650 6.573 0.516 1.00 0.49 C ATOM 788 C GLY A 57 111.939 6.833 -0.823 1.00 0.45 C ATOM 789 O GLY A 57 111.115 7.718 -0.913 1.00 0.44 O ATOM 0 H GLY A 57 111.465 8.187 1.258 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.710 6.812 0.428 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.582 5.517 0.776 1.00 0.49 H new ATOM 793 N PRO A 58 112.290 6.060 -1.833 1.00 0.50 N ATOM 794 CA PRO A 58 111.695 6.201 -3.181 1.00 0.52 C ATOM 795 C PRO A 58 110.180 5.947 -3.172 1.00 0.54 C ATOM 796 O PRO A 58 109.454 6.521 -3.960 1.00 0.56 O ATOM 797 CB PRO A 58 112.420 5.149 -4.049 1.00 0.63 C ATOM 798 CG PRO A 58 113.489 4.459 -3.154 1.00 0.66 C ATOM 799 CD PRO A 58 113.316 5.001 -1.720 1.00 0.60 C ATOM 0 HA PRO A 58 111.819 7.215 -3.563 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.711 4.416 -4.434 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.890 5.622 -4.912 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.363 3.376 -3.172 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.492 4.669 -3.525 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.998 4.214 -1.036 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.254 5.399 -1.333 1.00 0.60 H new ATOM 807 N SER A 59 109.695 5.089 -2.313 1.00 0.56 N ATOM 808 CA SER A 59 108.220 4.804 -2.291 1.00 0.60 C ATOM 809 C SER A 59 107.716 4.695 -0.852 1.00 0.55 C ATOM 810 O SER A 59 108.482 4.650 0.090 1.00 0.55 O ATOM 811 CB SER A 59 107.949 3.488 -3.018 1.00 0.71 C ATOM 812 OG SER A 59 106.562 3.392 -3.312 1.00 1.55 O ATOM 0 H SER A 59 110.248 4.574 -1.628 1.00 0.56 H new ATOM 0 HA SER A 59 107.698 5.622 -2.787 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.532 3.441 -3.938 1.00 0.71 H new ATOM 0 HB3 SER A 59 108.261 2.646 -2.399 1.00 0.71 H new ATOM 0 HG SER A 59 106.157 2.695 -2.755 1.00 1.55 H new ATOM 818 N LYS A 60 106.421 4.651 -0.685 1.00 0.59 N ATOM 819 CA LYS A 60 105.833 4.544 0.680 1.00 0.57 C ATOM 820 C LYS A 60 105.740 3.067 1.068 1.00 0.63 C ATOM 821 O LYS A 60 104.913 2.334 0.562 1.00 0.73 O ATOM 822 CB LYS A 60 104.426 5.155 0.683 1.00 0.63 C ATOM 823 CG LYS A 60 104.443 6.528 -0.002 1.00 1.23 C ATOM 824 CD LYS A 60 103.007 7.034 -0.176 1.00 1.29 C ATOM 825 CE LYS A 60 102.375 7.308 1.194 1.00 1.87 C ATOM 826 NZ LYS A 60 101.212 8.224 1.025 1.00 2.53 N ATOM 0 H LYS A 60 105.740 4.685 -1.444 1.00 0.59 H new ATOM 0 HA LYS A 60 106.462 5.078 1.392 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.732 4.491 0.167 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.068 5.256 1.707 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.019 7.236 0.594 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.934 6.455 -0.973 1.00 1.23 H new ATOM 0 HD2 LYS A 60 103.004 7.945 -0.775 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.416 6.295 -0.717 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.053 6.373 1.652 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.110 7.754 1.864 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 100.781 8.412 1.952 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 101.533 9.119 0.605 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 100.509 7.781 0.400 1.00 2.53 H new ATOM 840 N ALA A 61 106.583 2.621 1.957 1.00 0.66 N ATOM 841 CA ALA A 61 106.543 1.188 2.369 1.00 0.76 C ATOM 842 C ALA A 61 105.323 0.939 3.260 1.00 0.77 C ATOM 843 O ALA A 61 105.111 1.620 4.244 1.00 0.78 O ATOM 844 CB ALA A 61 107.817 0.845 3.144 1.00 0.82 C ATOM 0 H ALA A 61 107.298 3.185 2.416 1.00 0.66 H new ATOM 0 HA ALA A 61 106.475 0.560 1.481 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.789 -0.202 3.446 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.686 1.016 2.509 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.885 1.476 4.030 1.00 0.82 H new ATOM 850 N GLU A 62 104.522 -0.037 2.925 1.00 0.88 N ATOM 851 CA GLU A 62 103.319 -0.335 3.755 1.00 0.93 C ATOM 852 C GLU A 62 103.772 -0.818 5.135 1.00 0.96 C ATOM 853 O GLU A 62 104.933 -1.070 5.356 1.00 1.43 O ATOM 854 CB GLU A 62 102.489 -1.426 3.069 1.00 1.11 C ATOM 855 CG GLU A 62 101.118 -1.549 3.743 1.00 1.50 C ATOM 856 CD GLU A 62 100.183 -2.366 2.849 1.00 1.72 C ATOM 857 OE1 GLU A 62 99.794 -1.858 1.810 1.00 2.30 O ATOM 858 OE2 GLU A 62 99.871 -3.487 3.219 1.00 2.14 O ATOM 0 H GLU A 62 104.649 -0.641 2.113 1.00 0.88 H new ATOM 0 HA GLU A 62 102.711 0.563 3.866 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.363 -1.188 2.013 1.00 1.11 H new ATOM 0 HB3 GLU A 62 103.015 -2.380 3.120 1.00 1.11 H new ATOM 0 HG2 GLU A 62 101.221 -2.030 4.716 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.697 -0.559 3.919 1.00 1.50 H new ATOM 865 N ILE A 63 102.863 -0.946 6.064 1.00 0.97 N ATOM 866 CA ILE A 63 103.227 -1.411 7.440 1.00 0.94 C ATOM 867 C ILE A 63 102.092 -2.296 7.966 1.00 1.01 C ATOM 868 O ILE A 63 100.963 -2.172 7.535 1.00 1.06 O ATOM 869 CB ILE A 63 103.408 -0.189 8.351 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.395 0.782 7.690 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.954 -0.631 9.714 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.715 1.934 8.645 1.00 1.40 C ATOM 0 H ILE A 63 101.872 -0.747 5.929 1.00 0.97 H new ATOM 0 HA ILE A 63 104.157 -1.979 7.421 1.00 0.94 H new ATOM 0 HB ILE A 63 102.447 0.303 8.499 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.311 0.256 7.422 1.00 1.06 H new ATOM 0 HG13 ILE A 63 103.970 1.173 6.766 1.00 1.06 H new ATOM 0 HG21 ILE A 63 104.080 0.241 10.356 1.00 1.28 H new ATOM 0 HG22 ILE A 63 103.254 -1.325 10.179 1.00 1.28 H new ATOM 0 HG23 ILE A 63 104.917 -1.124 9.578 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.416 2.618 8.168 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.797 2.468 8.891 1.00 1.40 H new ATOM 0 HD13 ILE A 63 105.160 1.537 9.558 1.00 1.40 H new ATOM 884 N ALA A 64 102.364 -3.195 8.888 1.00 1.04 N ATOM 885 CA ALA A 64 101.276 -4.074 9.414 1.00 1.13 C ATOM 886 C ALA A 64 101.496 -4.307 10.908 1.00 1.14 C ATOM 887 O ALA A 64 102.486 -3.890 11.464 1.00 1.36 O ATOM 888 CB ALA A 64 101.296 -5.416 8.672 1.00 1.26 C ATOM 0 H ALA A 64 103.286 -3.354 9.293 1.00 1.04 H new ATOM 0 HA ALA A 64 100.310 -3.594 9.259 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.502 -6.056 9.057 1.00 1.26 H new ATOM 0 HB2 ALA A 64 101.140 -5.245 7.607 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.260 -5.902 8.825 1.00 1.26 H new ATOM 894 N PHE A 65 100.579 -4.974 11.560 1.00 1.16 N ATOM 895 CA PHE A 65 100.730 -5.241 13.024 1.00 1.16 C ATOM 896 C PHE A 65 100.203 -6.643 13.336 1.00 1.28 C ATOM 897 O PHE A 65 99.100 -6.995 12.967 1.00 1.35 O ATOM 898 CB PHE A 65 99.923 -4.208 13.814 1.00 1.11 C ATOM 899 CG PHE A 65 98.463 -4.319 13.446 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.964 -3.621 12.339 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.607 -5.120 14.211 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.610 -3.724 11.998 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.253 -5.223 13.870 1.00 1.43 C ATOM 904 CZ PHE A 65 95.754 -4.525 12.764 1.00 1.47 C ATOM 0 H PHE A 65 99.728 -5.347 11.140 1.00 1.16 H new ATOM 0 HA PHE A 65 101.781 -5.173 13.304 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.052 -4.371 14.884 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.288 -3.204 13.598 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.624 -3.003 11.748 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.991 -5.659 15.065 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.226 -3.186 11.144 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.593 -5.841 14.461 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.709 -4.604 12.502 1.00 1.47 H new ATOM 914 N GLU A 66 100.985 -7.450 14.009 1.00 1.35 N ATOM 915 CA GLU A 66 100.532 -8.837 14.343 1.00 1.50 C ATOM 916 C GLU A 66 100.997 -9.214 15.749 1.00 1.54 C ATOM 917 O GLU A 66 102.173 -9.385 16.000 1.00 1.61 O ATOM 918 CB GLU A 66 101.133 -9.826 13.342 1.00 1.62 C ATOM 919 CG GLU A 66 100.546 -11.225 13.573 1.00 1.80 C ATOM 920 CD GLU A 66 101.306 -12.241 12.717 1.00 1.94 C ATOM 921 OE1 GLU A 66 100.974 -12.369 11.550 1.00 2.51 O ATOM 922 OE2 GLU A 66 102.208 -12.872 13.243 1.00 2.01 O ATOM 0 H GLU A 66 101.918 -7.209 14.342 1.00 1.35 H new ATOM 0 HA GLU A 66 99.444 -8.874 14.296 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.924 -9.498 12.324 1.00 1.62 H new ATOM 0 HB3 GLU A 66 102.217 -9.854 13.452 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.620 -11.493 14.627 1.00 1.80 H new ATOM 0 HG3 GLU A 66 99.487 -11.235 13.315 1.00 1.80 H new ATOM 1006 N SER A 72 105.599 -10.390 21.910 1.00 1.78 N ATOM 1007 CA SER A 72 106.358 -9.435 21.043 1.00 1.72 C ATOM 1008 C SER A 72 105.462 -8.949 19.900 1.00 1.60 C ATOM 1009 O SER A 72 104.662 -9.689 19.364 1.00 1.64 O ATOM 1010 CB SER A 72 107.590 -10.141 20.467 1.00 1.82 C ATOM 1011 OG SER A 72 108.533 -9.165 20.042 1.00 2.20 O ATOM 0 HA SER A 72 106.674 -8.578 21.638 1.00 1.72 H new ATOM 0 HB2 SER A 72 108.036 -10.791 21.219 1.00 1.82 H new ATOM 0 HB3 SER A 72 107.302 -10.775 19.628 1.00 1.82 H new ATOM 0 HG SER A 72 108.705 -9.272 19.083 1.00 2.20 H new ATOM 1017 N CYS A 73 105.592 -7.703 19.526 1.00 1.50 N ATOM 1018 CA CYS A 73 104.751 -7.157 18.418 1.00 1.40 C ATOM 1019 C CYS A 73 105.450 -7.408 17.080 1.00 1.37 C ATOM 1020 O CYS A 73 106.652 -7.270 16.966 1.00 1.39 O ATOM 1021 CB CYS A 73 104.562 -5.653 18.619 1.00 1.31 C ATOM 1022 SG CYS A 73 103.353 -5.031 17.425 1.00 2.05 S ATOM 0 H CYS A 73 106.245 -7.038 19.940 1.00 1.50 H new ATOM 0 HA CYS A 73 103.779 -7.650 18.420 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.223 -5.451 19.635 1.00 1.31 H new ATOM 0 HB3 CYS A 73 105.513 -5.136 18.492 1.00 1.31 H new ATOM 0 HG CYS A 73 103.191 -3.753 17.598 1.00 2.05 H new ATOM 1028 N GLY A 74 104.704 -7.780 16.066 1.00 1.39 N ATOM 1029 CA GLY A 74 105.313 -8.051 14.722 1.00 1.38 C ATOM 1030 C GLY A 74 104.853 -6.994 13.717 1.00 1.28 C ATOM 1031 O GLY A 74 103.693 -6.918 13.365 1.00 1.26 O ATOM 0 H GLY A 74 103.693 -7.908 16.111 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.400 -8.044 14.798 1.00 1.38 H new ATOM 0 HA3 GLY A 74 105.024 -9.044 14.376 1.00 1.38 H new ATOM 1035 N VAL A 75 105.764 -6.186 13.243 1.00 1.25 N ATOM 1036 CA VAL A 75 105.405 -5.131 12.242 1.00 1.16 C ATOM 1037 C VAL A 75 105.808 -5.611 10.852 1.00 1.20 C ATOM 1038 O VAL A 75 106.972 -5.812 10.569 1.00 1.25 O ATOM 1039 CB VAL A 75 106.148 -3.834 12.576 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.936 -2.814 11.455 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.606 -3.262 13.888 1.00 1.57 C ATOM 0 H VAL A 75 106.749 -6.210 13.506 1.00 1.25 H new ATOM 0 HA VAL A 75 104.332 -4.944 12.269 1.00 1.16 H new ATOM 0 HB VAL A 75 107.213 -4.045 12.678 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.466 -1.893 11.696 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.319 -3.218 10.518 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.872 -2.604 11.351 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.133 -2.339 14.128 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.541 -3.055 13.782 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.757 -3.985 14.690 1.00 1.57 H new ATOM 1051 N SER A 76 104.847 -5.799 9.980 1.00 1.22 N ATOM 1052 CA SER A 76 105.160 -6.273 8.594 1.00 1.29 C ATOM 1053 C SER A 76 105.056 -5.096 7.625 1.00 1.19 C ATOM 1054 O SER A 76 104.142 -4.303 7.700 1.00 1.20 O ATOM 1055 CB SER A 76 104.170 -7.390 8.196 1.00 1.40 C ATOM 1056 OG SER A 76 103.527 -7.877 9.366 1.00 1.85 O ATOM 0 H SER A 76 103.857 -5.644 10.169 1.00 1.22 H new ATOM 0 HA SER A 76 106.173 -6.674 8.557 1.00 1.29 H new ATOM 0 HB2 SER A 76 103.431 -7.005 7.493 1.00 1.40 H new ATOM 0 HB3 SER A 76 104.698 -8.199 7.692 1.00 1.40 H new ATOM 0 HG SER A 76 102.896 -8.585 9.121 1.00 1.85 H new ATOM 1062 N TYR A 77 105.993 -4.977 6.717 1.00 1.21 N ATOM 1063 CA TYR A 77 105.962 -3.848 5.737 1.00 1.12 C ATOM 1064 C TYR A 77 106.252 -4.377 4.334 1.00 1.20 C ATOM 1065 O TYR A 77 106.690 -5.496 4.155 1.00 1.43 O ATOM 1066 CB TYR A 77 107.021 -2.805 6.120 1.00 1.07 C ATOM 1067 CG TYR A 77 108.398 -3.432 6.118 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.757 -4.342 7.120 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.322 -3.094 5.118 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.034 -4.913 7.120 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.599 -3.664 5.121 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.954 -4.574 6.122 1.00 1.39 C ATOM 1073 OH TYR A 77 112.214 -5.135 6.125 1.00 1.54 O ATOM 0 H TYR A 77 106.781 -5.616 6.612 1.00 1.21 H new ATOM 0 HA TYR A 77 104.975 -3.386 5.752 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.992 -1.972 5.418 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.800 -2.398 7.107 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.048 -4.603 7.892 1.00 1.33 H new ATOM 0 HD2 TYR A 77 109.047 -2.392 4.344 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.310 -5.617 7.891 1.00 1.47 H new ATOM 0 HE2 TYR A 77 111.310 -3.402 4.351 1.00 1.28 H new ATOM 0 HH TYR A 77 112.808 -4.603 6.695 1.00 1.54 H new ATOM 1083 N VAL A 78 106.000 -3.573 3.335 1.00 1.13 N ATOM 1084 CA VAL A 78 106.247 -4.007 1.925 1.00 1.21 C ATOM 1085 C VAL A 78 106.843 -2.833 1.142 1.00 1.14 C ATOM 1086 O VAL A 78 106.192 -1.833 0.913 1.00 1.11 O ATOM 1087 CB VAL A 78 104.909 -4.442 1.294 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.998 -4.414 -0.241 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.555 -5.864 1.753 1.00 1.90 C ATOM 0 H VAL A 78 105.631 -2.627 3.434 1.00 1.13 H new ATOM 0 HA VAL A 78 106.944 -4.845 1.901 1.00 1.21 H new ATOM 0 HB VAL A 78 104.135 -3.745 1.617 1.00 1.29 H new ATOM 0 HG11 VAL A 78 104.044 -4.724 -0.667 1.00 1.81 H new ATOM 0 HG12 VAL A 78 105.232 -3.403 -0.574 1.00 1.81 H new ATOM 0 HG13 VAL A 78 105.782 -5.095 -0.573 1.00 1.81 H new ATOM 0 HG21 VAL A 78 103.609 -6.166 1.304 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.340 -6.553 1.442 1.00 1.90 H new ATOM 0 HG23 VAL A 78 104.464 -5.884 2.839 1.00 1.90 H new ATOM 1099 N VAL A 79 108.073 -2.951 0.723 1.00 1.17 N ATOM 1100 CA VAL A 79 108.702 -1.844 -0.053 1.00 1.11 C ATOM 1101 C VAL A 79 108.220 -1.931 -1.498 1.00 1.15 C ATOM 1102 O VAL A 79 107.638 -2.912 -1.900 1.00 1.24 O ATOM 1103 CB VAL A 79 110.242 -1.976 -0.016 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.893 -0.586 0.030 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.656 -2.783 1.223 1.00 1.27 C ATOM 0 H VAL A 79 108.669 -3.763 0.884 1.00 1.17 H new ATOM 0 HA VAL A 79 108.422 -0.885 0.383 1.00 1.11 H new ATOM 0 HB VAL A 79 110.577 -2.491 -0.916 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.977 -0.693 0.056 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.605 -0.020 -0.856 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.559 -0.057 0.923 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.742 -2.877 1.250 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.313 -2.271 2.122 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.207 -3.775 1.178 1.00 1.27 H new ATOM 1115 N GLN A 80 108.475 -0.921 -2.284 1.00 1.10 N ATOM 1116 CA GLN A 80 108.044 -0.949 -3.714 1.00 1.15 C ATOM 1117 C GLN A 80 109.272 -1.095 -4.612 1.00 1.17 C ATOM 1118 O GLN A 80 109.227 -1.763 -5.626 1.00 1.25 O ATOM 1119 CB GLN A 80 107.325 0.362 -4.052 1.00 1.11 C ATOM 1120 CG GLN A 80 106.547 0.199 -5.361 1.00 1.18 C ATOM 1121 CD GLN A 80 106.135 1.574 -5.888 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.119 2.110 -5.493 1.00 2.47 O ATOM 1123 NE2 GLN A 80 106.887 2.173 -6.771 1.00 2.48 N ATOM 0 H GLN A 80 108.965 -0.074 -1.998 1.00 1.10 H new ATOM 0 HA GLN A 80 107.370 -1.791 -3.875 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.645 0.634 -3.245 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.049 1.172 -4.146 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.162 -0.315 -6.100 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.664 -0.418 -5.196 1.00 1.18 H new ATOM 0 HE21 GLN A 80 107.740 1.724 -7.103 1.00 2.48 H new ATOM 0 HE22 GLN A 80 106.621 3.091 -7.129 1.00 2.48 H new ATOM 1132 N GLU A 81 110.371 -0.475 -4.253 1.00 1.11 N ATOM 1133 CA GLU A 81 111.599 -0.575 -5.110 1.00 1.13 C ATOM 1134 C GLU A 81 112.868 -0.247 -4.287 1.00 1.07 C ATOM 1135 O GLU A 81 112.809 0.564 -3.384 1.00 0.98 O ATOM 1136 CB GLU A 81 111.520 0.450 -6.260 1.00 1.11 C ATOM 1137 CG GLU A 81 110.426 0.093 -7.280 1.00 1.43 C ATOM 1138 CD GLU A 81 110.617 -1.334 -7.802 1.00 1.37 C ATOM 1139 OE1 GLU A 81 111.755 -1.715 -8.023 1.00 1.65 O ATOM 1140 OE2 GLU A 81 109.623 -2.020 -7.973 1.00 1.92 O ATOM 0 H GLU A 81 110.473 0.092 -3.411 1.00 1.11 H new ATOM 0 HA GLU A 81 111.652 -1.593 -5.496 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.323 1.440 -5.849 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.484 0.501 -6.766 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.444 0.187 -6.816 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.454 0.797 -8.112 1.00 1.43 H new ATOM 1147 N PRO A 82 113.995 -0.851 -4.647 1.00 1.14 N ATOM 1148 CA PRO A 82 115.287 -0.593 -3.982 1.00 1.14 C ATOM 1149 C PRO A 82 115.482 0.868 -3.626 1.00 1.00 C ATOM 1150 O PRO A 82 114.753 1.741 -4.049 1.00 0.91 O ATOM 1151 CB PRO A 82 116.317 -1.034 -5.024 1.00 1.23 C ATOM 1152 CG PRO A 82 115.616 -2.119 -5.850 1.00 1.30 C ATOM 1153 CD PRO A 82 114.102 -1.856 -5.728 1.00 1.26 C ATOM 0 HA PRO A 82 115.365 -1.123 -3.033 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.624 -0.198 -5.652 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.217 -1.422 -4.548 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.934 -2.078 -6.892 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.868 -3.112 -5.478 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.686 -1.481 -6.663 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.558 -2.767 -5.480 1.00 1.26 H new ATOM 1161 N GLY A 83 116.494 1.121 -2.853 1.00 0.99 N ATOM 1162 CA GLY A 83 116.808 2.521 -2.441 1.00 0.89 C ATOM 1163 C GLY A 83 117.275 2.538 -0.987 1.00 0.92 C ATOM 1164 O GLY A 83 117.291 1.527 -0.313 1.00 1.02 O ATOM 0 H GLY A 83 117.127 0.413 -2.482 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.583 2.935 -3.087 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.926 3.151 -2.557 1.00 0.89 H new ATOM 1168 N ASP A 84 117.639 3.691 -0.497 1.00 0.87 N ATOM 1169 CA ASP A 84 118.091 3.808 0.917 1.00 0.93 C ATOM 1170 C ASP A 84 116.880 4.177 1.762 1.00 0.83 C ATOM 1171 O ASP A 84 116.574 5.336 1.957 1.00 0.76 O ATOM 1172 CB ASP A 84 119.152 4.905 1.026 1.00 0.98 C ATOM 1173 CG ASP A 84 120.242 4.664 -0.019 1.00 1.39 C ATOM 1174 OD1 ASP A 84 119.948 4.803 -1.195 1.00 2.06 O ATOM 1175 OD2 ASP A 84 121.352 4.345 0.374 1.00 2.13 O ATOM 0 H ASP A 84 117.642 4.566 -1.022 1.00 0.87 H new ATOM 0 HA ASP A 84 118.524 2.869 1.262 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.696 5.883 0.873 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.586 4.908 2.026 1.00 0.98 H new ATOM 1180 N TYR A 85 116.177 3.199 2.249 1.00 0.84 N ATOM 1181 CA TYR A 85 114.973 3.483 3.062 1.00 0.76 C ATOM 1182 C TYR A 85 115.409 3.884 4.468 1.00 0.80 C ATOM 1183 O TYR A 85 116.237 3.244 5.080 1.00 0.92 O ATOM 1184 CB TYR A 85 114.101 2.218 3.085 1.00 0.80 C ATOM 1185 CG TYR A 85 113.018 2.321 2.039 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.801 2.935 2.348 1.00 0.64 C ATOM 1187 CD2 TYR A 85 113.242 1.808 0.758 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.804 3.036 1.374 1.00 0.61 C ATOM 1189 CE2 TYR A 85 112.249 1.909 -0.217 1.00 0.75 C ATOM 1190 CZ TYR A 85 111.027 2.523 0.089 1.00 0.67 C ATOM 1191 OH TYR A 85 110.046 2.624 -0.874 1.00 0.68 O ATOM 0 H TYR A 85 116.387 2.210 2.117 1.00 0.84 H new ATOM 0 HA TYR A 85 114.393 4.304 2.640 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.717 1.338 2.898 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.655 2.091 4.071 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.631 3.331 3.338 1.00 0.64 H new ATOM 0 HD2 TYR A 85 114.183 1.334 0.523 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.863 3.509 1.611 1.00 0.61 H new ATOM 0 HE2 TYR A 85 112.422 1.514 -1.207 1.00 0.75 H new ATOM 0 HH TYR A 85 110.364 2.219 -1.708 1.00 0.68 H new ATOM 1201 N GLU A 86 114.854 4.955 4.965 1.00 0.73 N ATOM 1202 CA GLU A 86 115.216 5.460 6.328 1.00 0.78 C ATOM 1203 C GLU A 86 114.001 5.299 7.247 1.00 0.74 C ATOM 1204 O GLU A 86 112.910 5.719 6.919 1.00 0.68 O ATOM 1205 CB GLU A 86 115.632 6.964 6.249 1.00 0.78 C ATOM 1206 CG GLU A 86 115.594 7.472 4.795 1.00 0.72 C ATOM 1207 CD GLU A 86 116.801 6.924 4.032 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.394 5.970 4.508 1.00 1.26 O ATOM 1209 OE2 GLU A 86 117.112 7.468 2.985 1.00 1.53 O ATOM 0 H GLU A 86 114.153 5.514 4.479 1.00 0.73 H new ATOM 0 HA GLU A 86 116.057 4.890 6.723 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.961 7.563 6.865 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.636 7.089 6.656 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.670 7.155 4.312 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.604 8.562 4.779 1.00 0.72 H new ATOM 1216 N VAL A 87 114.186 4.692 8.393 1.00 0.81 N ATOM 1217 CA VAL A 87 113.052 4.491 9.347 1.00 0.78 C ATOM 1218 C VAL A 87 113.433 5.055 10.719 1.00 0.86 C ATOM 1219 O VAL A 87 114.517 4.812 11.220 1.00 0.99 O ATOM 1220 CB VAL A 87 112.759 2.991 9.449 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.827 2.291 10.297 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.382 2.778 10.084 1.00 0.83 C ATOM 0 H VAL A 87 115.083 4.324 8.711 1.00 0.81 H new ATOM 0 HA VAL A 87 112.162 5.011 8.993 1.00 0.78 H new ATOM 0 HB VAL A 87 112.772 2.564 8.446 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.602 1.226 10.358 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.805 2.430 9.837 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.834 2.719 11.300 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.176 1.710 10.156 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.369 3.218 11.081 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.620 3.254 9.468 1.00 0.83 H new ATOM 1232 N SER A 88 112.543 5.807 11.324 1.00 0.81 N ATOM 1233 CA SER A 88 112.822 6.406 12.668 1.00 0.91 C ATOM 1234 C SER A 88 111.735 5.979 13.650 1.00 0.87 C ATOM 1235 O SER A 88 110.628 6.479 13.622 1.00 0.84 O ATOM 1236 CB SER A 88 112.834 7.931 12.551 1.00 0.94 C ATOM 1237 OG SER A 88 113.432 8.487 13.714 1.00 1.59 O ATOM 0 H SER A 88 111.626 6.033 10.939 1.00 0.81 H new ATOM 0 HA SER A 88 113.791 6.061 13.027 1.00 0.91 H new ATOM 0 HB2 SER A 88 113.388 8.235 11.663 1.00 0.94 H new ATOM 0 HB3 SER A 88 111.817 8.306 12.436 1.00 0.94 H new ATOM 0 HG SER A 88 114.220 7.959 13.961 1.00 1.59 H new ATOM 1243 N ILE A 89 112.047 5.048 14.517 1.00 0.99 N ATOM 1244 CA ILE A 89 111.046 4.558 15.512 1.00 0.98 C ATOM 1245 C ILE A 89 111.402 5.073 16.914 1.00 1.08 C ATOM 1246 O ILE A 89 112.521 4.953 17.372 1.00 1.20 O ATOM 1247 CB ILE A 89 111.037 3.020 15.483 1.00 1.03 C ATOM 1248 CG1 ILE A 89 112.183 2.460 16.349 1.00 1.19 C ATOM 1249 CG2 ILE A 89 111.206 2.549 14.032 1.00 1.00 C ATOM 1250 CD1 ILE A 89 112.430 0.979 16.026 1.00 1.29 C ATOM 0 H ILE A 89 112.963 4.602 14.578 1.00 0.99 H new ATOM 0 HA ILE A 89 110.053 4.931 15.259 1.00 0.98 H new ATOM 0 HB ILE A 89 110.091 2.657 15.885 1.00 1.03 H new ATOM 0 HG12 ILE A 89 113.093 3.033 16.172 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.936 2.571 17.405 1.00 1.19 H new ATOM 0 HG21 ILE A 89 111.201 1.459 14.000 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.385 2.933 13.427 1.00 1.00 H new ATOM 0 HG23 ILE A 89 112.152 2.919 13.637 1.00 1.00 H new ATOM 0 HD11 ILE A 89 113.242 0.602 16.647 1.00 1.29 H new ATOM 0 HD12 ILE A 89 111.524 0.407 16.226 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.699 0.876 14.975 1.00 1.29 H new ATOM 1262 N LYS A 90 110.445 5.639 17.593 1.00 1.05 N ATOM 1263 CA LYS A 90 110.677 6.165 18.964 1.00 1.16 C ATOM 1264 C LYS A 90 109.467 5.807 19.813 1.00 1.11 C ATOM 1265 O LYS A 90 108.357 6.179 19.495 1.00 1.01 O ATOM 1266 CB LYS A 90 110.776 7.688 18.906 1.00 1.22 C ATOM 1267 CG LYS A 90 109.452 8.268 18.346 1.00 1.15 C ATOM 1268 CD LYS A 90 109.719 9.566 17.554 1.00 1.34 C ATOM 1269 CE LYS A 90 109.942 9.227 16.078 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.140 8.350 15.943 1.00 1.58 N ATOM 0 H LYS A 90 109.493 5.761 17.247 1.00 1.05 H new ATOM 0 HA LYS A 90 111.593 5.744 19.379 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.970 8.089 19.901 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.613 7.985 18.274 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.972 7.534 17.700 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.762 8.471 19.165 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.875 10.248 17.658 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.593 10.077 17.957 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.063 8.725 15.673 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.081 10.141 15.501 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.453 8.340 14.951 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.907 8.715 16.544 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 110.898 7.383 16.240 1.00 1.58 H new ATOM 1284 N PHE A 91 109.644 5.109 20.893 1.00 1.21 N ATOM 1285 CA PHE A 91 108.454 4.777 21.724 1.00 1.18 C ATOM 1286 C PHE A 91 108.161 5.973 22.630 1.00 1.22 C ATOM 1287 O PHE A 91 108.812 6.191 23.626 1.00 1.34 O ATOM 1288 CB PHE A 91 108.718 3.516 22.545 1.00 1.29 C ATOM 1289 CG PHE A 91 107.512 3.221 23.403 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.311 2.833 22.798 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.589 3.336 24.797 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.187 2.562 23.584 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.463 3.064 25.583 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.262 2.677 24.976 1.00 1.24 C ATOM 0 H PHE A 91 110.539 4.759 21.234 1.00 1.21 H new ATOM 0 HA PHE A 91 107.590 4.578 21.091 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.924 2.674 21.884 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.600 3.653 23.171 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.253 2.743 21.723 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.516 3.634 25.265 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.260 2.264 23.116 1.00 1.22 H new ATOM 0 HE2 PHE A 91 106.521 3.153 26.658 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.393 2.467 25.583 1.00 1.24 H new ATOM 1304 N ASN A 92 107.200 6.772 22.264 1.00 1.15 N ATOM 1305 CA ASN A 92 106.875 7.975 23.078 1.00 1.23 C ATOM 1306 C ASN A 92 107.989 9.014 22.892 1.00 1.32 C ATOM 1307 O ASN A 92 108.333 9.732 23.806 1.00 1.42 O ATOM 1308 CB ASN A 92 106.751 7.584 24.565 1.00 1.32 C ATOM 1309 CG ASN A 92 105.769 8.523 25.275 1.00 1.74 C ATOM 1310 OD1 ASN A 92 104.593 8.234 25.367 1.00 2.32 O ATOM 1311 ND2 ASN A 92 106.208 9.642 25.784 1.00 2.24 N ATOM 0 H ASN A 92 106.623 6.643 21.433 1.00 1.15 H new ATOM 0 HA ASN A 92 105.925 8.398 22.752 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.408 6.553 24.651 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.728 7.636 25.046 1.00 1.32 H new ATOM 0 HD21 ASN A 92 105.563 10.274 26.259 1.00 2.24 H new ATOM 0 HD22 ASN A 92 107.196 9.885 25.707 1.00 2.24 H new ATOM 1318 N ASP A 93 108.542 9.091 21.704 1.00 1.28 N ATOM 1319 CA ASP A 93 109.629 10.078 21.417 1.00 1.37 C ATOM 1320 C ASP A 93 110.977 9.607 21.966 1.00 1.45 C ATOM 1321 O ASP A 93 111.912 10.381 22.026 1.00 1.53 O ATOM 1322 CB ASP A 93 109.293 11.449 22.008 1.00 1.46 C ATOM 1323 CG ASP A 93 107.791 11.709 21.885 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.197 11.200 20.949 1.00 1.83 O ATOM 1325 OD2 ASP A 93 107.261 12.413 22.729 1.00 1.92 O ATOM 0 H ASP A 93 108.282 8.503 20.912 1.00 1.28 H new ATOM 0 HA ASP A 93 109.704 10.161 20.333 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.594 11.488 23.055 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.850 12.227 21.487 1.00 1.46 H new ATOM 1330 N GLU A 94 111.119 8.351 22.330 1.00 1.43 N ATOM 1331 CA GLU A 94 112.449 7.877 22.824 1.00 1.53 C ATOM 1332 C GLU A 94 113.123 7.144 21.668 1.00 1.52 C ATOM 1333 O GLU A 94 112.815 6.007 21.361 1.00 1.48 O ATOM 1334 CB GLU A 94 112.272 6.967 24.042 1.00 1.56 C ATOM 1335 CG GLU A 94 111.589 5.654 23.646 1.00 1.95 C ATOM 1336 CD GLU A 94 110.829 5.089 24.849 1.00 1.88 C ATOM 1337 OE1 GLU A 94 110.180 5.859 25.537 1.00 2.25 O ATOM 1338 OE2 GLU A 94 110.904 3.894 25.054 1.00 2.24 O ATOM 0 H GLU A 94 110.382 7.646 22.306 1.00 1.43 H new ATOM 0 HA GLU A 94 113.070 8.713 23.146 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.244 6.756 24.488 1.00 1.56 H new ATOM 0 HB3 GLU A 94 111.677 7.477 24.799 1.00 1.56 H new ATOM 0 HG2 GLU A 94 110.903 5.825 22.817 1.00 1.95 H new ATOM 0 HG3 GLU A 94 112.332 4.935 23.302 1.00 1.95 H new ATOM 1345 N HIS A 95 114.009 7.821 20.991 1.00 1.59 N ATOM 1346 CA HIS A 95 114.690 7.214 19.817 1.00 1.59 C ATOM 1347 C HIS A 95 115.594 6.068 20.259 1.00 1.71 C ATOM 1348 O HIS A 95 116.662 6.275 20.800 1.00 1.86 O ATOM 1349 CB HIS A 95 115.529 8.282 19.113 1.00 1.65 C ATOM 1350 CG HIS A 95 116.537 8.847 20.077 1.00 1.94 C ATOM 1351 ND1 HIS A 95 116.181 9.722 21.092 1.00 2.24 N ATOM 1352 CD2 HIS A 95 117.894 8.673 20.191 1.00 2.62 C ATOM 1353 CE1 HIS A 95 117.302 10.039 21.766 1.00 2.68 C ATOM 1354 NE2 HIS A 95 118.375 9.427 21.258 1.00 2.88 N ATOM 0 H HIS A 95 114.292 8.778 21.204 1.00 1.59 H new ATOM 0 HA HIS A 95 113.936 6.822 19.134 1.00 1.59 H new ATOM 0 HB2 HIS A 95 116.037 7.850 18.251 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.884 9.077 18.738 1.00 1.65 H new ATOM 0 HD2 HIS A 95 118.497 8.046 19.550 1.00 2.62 H new ATOM 0 HE1 HIS A 95 117.330 10.707 22.614 1.00 2.68 H new ATOM 0 HE2 HIS A 95 119.340 9.497 21.582 1.00 2.88 H new ATOM 1362 N ILE A 96 115.179 4.860 20.015 1.00 1.67 N ATOM 1363 CA ILE A 96 116.018 3.692 20.397 1.00 1.82 C ATOM 1364 C ILE A 96 117.398 3.857 19.715 1.00 1.88 C ATOM 1365 O ILE A 96 117.441 4.217 18.556 1.00 1.77 O ATOM 1366 CB ILE A 96 115.322 2.422 19.887 1.00 1.82 C ATOM 1367 CG1 ILE A 96 116.121 1.171 20.287 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.205 2.491 18.363 1.00 2.35 C ATOM 1369 CD1 ILE A 96 115.532 -0.065 19.598 1.00 2.27 C ATOM 0 H ILE A 96 114.293 4.629 19.566 1.00 1.67 H new ATOM 0 HA ILE A 96 116.150 3.624 21.477 1.00 1.82 H new ATOM 0 HB ILE A 96 114.330 2.357 20.334 1.00 1.82 H new ATOM 0 HG12 ILE A 96 117.167 1.291 20.006 1.00 1.98 H new ATOM 0 HG13 ILE A 96 116.095 1.042 21.369 1.00 1.98 H new ATOM 0 HG21 ILE A 96 114.711 1.592 17.995 1.00 2.35 H new ATOM 0 HG22 ILE A 96 114.620 3.367 18.082 1.00 2.35 H new ATOM 0 HG23 ILE A 96 116.200 2.564 17.925 1.00 2.35 H new ATOM 0 HD11 ILE A 96 116.102 -0.948 19.885 1.00 2.27 H new ATOM 0 HD12 ILE A 96 114.493 -0.190 19.901 1.00 2.27 H new ATOM 0 HD13 ILE A 96 115.582 0.063 18.517 1.00 2.27 H new ATOM 1381 N PRO A 97 118.495 3.606 20.418 1.00 2.08 N ATOM 1382 CA PRO A 97 119.829 3.757 19.805 1.00 2.18 C ATOM 1383 C PRO A 97 119.852 3.075 18.430 1.00 2.06 C ATOM 1384 O PRO A 97 120.138 1.902 18.309 1.00 2.32 O ATOM 1385 CB PRO A 97 120.803 3.095 20.806 1.00 2.43 C ATOM 1386 CG PRO A 97 120.002 2.822 22.113 1.00 2.48 C ATOM 1387 CD PRO A 97 118.518 3.157 21.828 1.00 2.25 C ATOM 0 HA PRO A 97 120.105 4.796 19.627 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.202 2.166 20.398 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.653 3.747 21.005 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.108 1.781 22.417 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.383 3.434 22.931 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.880 2.285 21.976 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.153 3.936 22.497 1.00 2.25 H new ATOM 1395 N ASP A 98 119.537 3.817 17.402 1.00 2.10 N ATOM 1396 CA ASP A 98 119.514 3.254 16.019 1.00 1.98 C ATOM 1397 C ASP A 98 118.779 4.236 15.117 1.00 1.76 C ATOM 1398 O ASP A 98 119.319 4.723 14.144 1.00 1.73 O ATOM 1399 CB ASP A 98 118.795 1.877 16.017 1.00 1.95 C ATOM 1400 CG ASP A 98 119.823 0.737 16.008 1.00 2.28 C ATOM 1401 OD1 ASP A 98 120.638 0.706 15.101 1.00 2.65 O ATOM 1402 OD2 ASP A 98 119.773 -0.085 16.909 1.00 2.64 O ATOM 0 H ASP A 98 119.291 4.805 17.463 1.00 2.10 H new ATOM 0 HA ASP A 98 120.531 3.106 15.656 1.00 1.98 H new ATOM 0 HB2 ASP A 98 118.156 1.792 16.896 1.00 1.95 H new ATOM 0 HB3 ASP A 98 118.148 1.799 15.143 1.00 1.95 H new ATOM 1407 N SER A 99 117.545 4.506 15.408 1.00 1.67 N ATOM 1408 CA SER A 99 116.768 5.427 14.542 1.00 1.48 C ATOM 1409 C SER A 99 117.505 6.775 14.420 1.00 1.62 C ATOM 1410 O SER A 99 117.994 7.270 15.416 1.00 1.87 O ATOM 1411 CB SER A 99 115.398 5.663 15.186 1.00 1.48 C ATOM 1412 OG SER A 99 114.933 6.963 14.843 1.00 2.00 O ATOM 0 H SER A 99 117.038 4.129 16.209 1.00 1.67 H new ATOM 0 HA SER A 99 116.653 4.989 13.550 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.689 4.909 14.845 1.00 1.48 H new ATOM 0 HB3 SER A 99 115.471 5.565 16.269 1.00 1.48 H new ATOM 0 HG SER A 99 114.365 7.308 15.563 1.00 2.00 H new ATOM 1418 N PRO A 100 117.544 7.380 13.234 1.00 1.55 N ATOM 1419 CA PRO A 100 116.975 6.856 11.956 1.00 1.33 C ATOM 1420 C PRO A 100 118.025 5.978 11.228 1.00 1.33 C ATOM 1421 O PRO A 100 119.024 6.497 10.771 1.00 1.47 O ATOM 1422 CB PRO A 100 116.731 8.139 11.129 1.00 1.43 C ATOM 1423 CG PRO A 100 117.620 9.254 11.751 1.00 1.74 C ATOM 1424 CD PRO A 100 118.149 8.717 13.101 1.00 1.79 C ATOM 0 HA PRO A 100 116.083 6.247 12.104 1.00 1.33 H new ATOM 0 HB2 PRO A 100 116.989 7.978 10.082 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.679 8.423 11.158 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.447 9.503 11.086 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.044 10.167 11.899 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.238 8.661 13.106 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.859 9.367 13.927 1.00 1.79 H new ATOM 1432 N PHE A 101 117.821 4.676 11.079 1.00 1.25 N ATOM 1433 CA PHE A 101 118.853 3.849 10.334 1.00 1.36 C ATOM 1434 C PHE A 101 118.412 3.656 8.884 1.00 1.24 C ATOM 1435 O PHE A 101 117.296 3.960 8.512 1.00 1.16 O ATOM 1436 CB PHE A 101 119.079 2.467 10.980 1.00 1.55 C ATOM 1437 CG PHE A 101 117.790 1.877 11.486 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.297 2.302 12.703 1.00 1.50 C ATOM 1439 CD2 PHE A 101 117.115 0.890 10.763 1.00 1.78 C ATOM 1440 CE1 PHE A 101 116.129 1.760 13.228 1.00 1.83 C ATOM 1441 CE2 PHE A 101 115.933 0.340 11.278 1.00 2.18 C ATOM 1442 CZ PHE A 101 115.439 0.775 12.515 1.00 2.19 C ATOM 0 H PHE A 101 117.012 4.162 11.428 1.00 1.25 H new ATOM 0 HA PHE A 101 119.795 4.396 10.379 1.00 1.36 H new ATOM 0 HB2 PHE A 101 119.528 1.792 10.251 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.786 2.561 11.804 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.825 3.065 13.255 1.00 1.50 H new ATOM 0 HD2 PHE A 101 117.502 0.553 9.813 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.756 2.099 14.183 1.00 1.83 H new ATOM 0 HE2 PHE A 101 115.403 -0.419 10.721 1.00 2.18 H new ATOM 0 HZ PHE A 101 114.530 0.352 12.916 1.00 2.19 H new ATOM 1452 N VAL A 102 119.297 3.153 8.061 1.00 1.28 N ATOM 1453 CA VAL A 102 118.962 2.935 6.623 1.00 1.21 C ATOM 1454 C VAL A 102 118.538 1.480 6.399 1.00 1.23 C ATOM 1455 O VAL A 102 118.979 0.580 7.085 1.00 1.34 O ATOM 1456 CB VAL A 102 120.195 3.242 5.770 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.353 2.338 6.196 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.869 2.992 4.295 1.00 1.29 C ATOM 0 H VAL A 102 120.244 2.882 8.327 1.00 1.28 H new ATOM 0 HA VAL A 102 118.140 3.593 6.340 1.00 1.21 H new ATOM 0 HB VAL A 102 120.481 4.285 5.909 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.230 2.559 5.587 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.586 2.516 7.246 1.00 1.44 H new ATOM 0 HG13 VAL A 102 121.069 1.294 6.059 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.746 3.210 3.686 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.582 1.949 4.157 1.00 1.29 H new ATOM 0 HG23 VAL A 102 119.046 3.638 3.990 1.00 1.29 H new ATOM 1468 N VAL A 103 117.686 1.252 5.431 1.00 1.15 N ATOM 1469 CA VAL A 103 117.211 -0.135 5.122 1.00 1.19 C ATOM 1470 C VAL A 103 117.413 -0.394 3.613 1.00 1.19 C ATOM 1471 O VAL A 103 116.517 -0.139 2.833 1.00 1.10 O ATOM 1472 CB VAL A 103 115.722 -0.231 5.459 1.00 1.11 C ATOM 1473 CG1 VAL A 103 115.185 -1.600 5.038 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.534 -0.054 6.968 1.00 1.14 C ATOM 0 H VAL A 103 117.293 1.978 4.832 1.00 1.15 H new ATOM 0 HA VAL A 103 117.767 -0.870 5.704 1.00 1.19 H new ATOM 0 HB VAL A 103 115.178 0.549 4.926 1.00 1.11 H new ATOM 0 HG11 VAL A 103 114.124 -1.665 5.280 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.321 -1.730 3.964 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.727 -2.382 5.570 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.474 -0.122 7.213 1.00 1.14 H new ATOM 0 HG22 VAL A 103 116.079 -0.836 7.497 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.915 0.922 7.270 1.00 1.14 H new ATOM 1484 N PRO A 104 118.590 -0.856 3.228 1.00 1.29 N ATOM 1485 CA PRO A 104 118.897 -1.101 1.802 1.00 1.30 C ATOM 1486 C PRO A 104 118.024 -2.225 1.214 1.00 1.33 C ATOM 1487 O PRO A 104 118.134 -3.380 1.585 1.00 1.44 O ATOM 1488 CB PRO A 104 120.399 -1.485 1.779 1.00 1.42 C ATOM 1489 CG PRO A 104 120.913 -1.456 3.248 1.00 1.49 C ATOM 1490 CD PRO A 104 119.701 -1.161 4.157 1.00 1.41 C ATOM 0 HA PRO A 104 118.687 -0.224 1.189 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.535 -2.476 1.345 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.964 -0.786 1.162 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.369 -2.410 3.514 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.680 -0.691 3.371 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.464 -2.017 4.788 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.902 -0.321 4.822 1.00 1.41 H new ATOM 1498 N VAL A 105 117.179 -1.886 0.272 1.00 1.25 N ATOM 1499 CA VAL A 105 116.310 -2.901 -0.393 1.00 1.29 C ATOM 1500 C VAL A 105 116.891 -3.111 -1.805 1.00 1.35 C ATOM 1501 O VAL A 105 117.414 -2.182 -2.392 1.00 1.31 O ATOM 1502 CB VAL A 105 114.878 -2.339 -0.427 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.913 -3.301 -1.157 1.00 1.26 C ATOM 1504 CG2 VAL A 105 114.397 -2.111 1.021 1.00 1.15 C ATOM 0 H VAL A 105 117.054 -0.933 -0.068 1.00 1.25 H new ATOM 0 HA VAL A 105 116.280 -3.859 0.126 1.00 1.29 H new ATOM 0 HB VAL A 105 114.884 -1.397 -0.975 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.910 -2.875 -1.163 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.252 -3.447 -2.183 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.896 -4.261 -0.640 1.00 1.26 H new ATOM 0 HG21 VAL A 105 113.383 -1.713 1.009 1.00 1.15 H new ATOM 0 HG22 VAL A 105 114.409 -3.057 1.562 1.00 1.15 H new ATOM 0 HG23 VAL A 105 115.060 -1.402 1.517 1.00 1.15 H new ATOM 1514 N ALA A 106 116.865 -4.328 -2.329 1.00 1.46 N ATOM 1515 CA ALA A 106 117.490 -4.595 -3.680 1.00 1.53 C ATOM 1516 C ALA A 106 116.567 -5.423 -4.607 1.00 1.59 C ATOM 1517 O ALA A 106 115.936 -6.371 -4.208 1.00 1.66 O ATOM 1518 CB ALA A 106 118.803 -5.358 -3.441 1.00 1.67 C ATOM 0 H ALA A 106 116.441 -5.141 -1.882 1.00 1.46 H new ATOM 0 HA ALA A 106 117.663 -3.643 -4.181 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.281 -5.567 -4.398 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.469 -4.752 -2.827 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.590 -6.296 -2.928 1.00 1.67 H new ATOM 1524 N SER A 107 116.512 -5.058 -5.861 1.00 1.59 N ATOM 1525 CA SER A 107 115.671 -5.795 -6.851 1.00 1.67 C ATOM 1526 C SER A 107 116.559 -6.821 -7.535 1.00 1.81 C ATOM 1527 O SER A 107 117.039 -6.612 -8.630 1.00 1.83 O ATOM 1528 CB SER A 107 115.128 -4.826 -7.906 1.00 1.60 C ATOM 1529 OG SER A 107 116.188 -4.418 -8.760 1.00 2.04 O ATOM 0 H SER A 107 117.024 -4.265 -6.248 1.00 1.59 H new ATOM 0 HA SER A 107 114.831 -6.273 -6.347 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.342 -5.307 -8.488 1.00 1.60 H new ATOM 0 HB3 SER A 107 114.681 -3.958 -7.423 1.00 1.60 H new ATOM 0 HG SER A 107 116.425 -5.154 -9.362 1.00 2.04 H new ATOM 1535 N LEU A 108 116.815 -7.904 -6.872 1.00 1.98 N ATOM 1536 CA LEU A 108 117.716 -8.944 -7.445 1.00 2.16 C ATOM 1537 C LEU A 108 119.098 -8.314 -7.606 1.00 2.13 C ATOM 1538 O LEU A 108 120.028 -8.923 -8.098 1.00 2.33 O ATOM 1539 CB LEU A 108 117.200 -9.428 -8.808 1.00 2.25 C ATOM 1540 CG LEU A 108 115.692 -9.688 -8.738 1.00 2.76 C ATOM 1541 CD1 LEU A 108 115.221 -10.298 -10.059 1.00 3.20 C ATOM 1542 CD2 LEU A 108 115.391 -10.660 -7.592 1.00 3.20 C ATOM 0 H LEU A 108 116.438 -8.121 -5.949 1.00 1.98 H new ATOM 0 HA LEU A 108 117.755 -9.809 -6.783 1.00 2.16 H new ATOM 0 HB2 LEU A 108 117.413 -8.681 -9.572 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.721 -10.340 -9.100 1.00 2.25 H new ATOM 0 HG LEU A 108 115.169 -8.748 -8.562 1.00 2.76 H new ATOM 0 HD11 LEU A 108 114.148 -10.484 -10.012 1.00 3.20 H new ATOM 0 HD12 LEU A 108 115.434 -9.607 -10.875 1.00 3.20 H new ATOM 0 HD13 LEU A 108 115.745 -11.238 -10.233 1.00 3.20 H new ATOM 0 HD21 LEU A 108 114.318 -10.844 -7.543 1.00 3.20 H new ATOM 0 HD22 LEU A 108 115.913 -11.601 -7.766 1.00 3.20 H new ATOM 0 HD23 LEU A 108 115.728 -10.227 -6.650 1.00 3.20 H new ATOM 1554 N SER A 109 119.228 -7.088 -7.171 1.00 1.93 N ATOM 1555 CA SER A 109 120.530 -6.375 -7.260 1.00 1.92 C ATOM 1556 C SER A 109 121.324 -6.643 -5.990 1.00 2.00 C ATOM 1557 O SER A 109 122.533 -6.528 -5.965 1.00 2.09 O ATOM 1558 CB SER A 109 120.277 -4.879 -7.402 1.00 1.77 C ATOM 1559 OG SER A 109 121.510 -4.238 -7.696 1.00 2.06 O ATOM 0 H SER A 109 118.473 -6.545 -6.752 1.00 1.93 H new ATOM 0 HA SER A 109 121.091 -6.727 -8.125 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.554 -4.691 -8.196 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.852 -4.478 -6.482 1.00 1.77 H new ATOM 0 HG SER A 109 121.363 -3.274 -7.792 1.00 2.06 H new ATOM 1565 N ASP A 110 120.651 -6.985 -4.925 1.00 1.99 N ATOM 1566 CA ASP A 110 121.371 -7.242 -3.650 1.00 2.10 C ATOM 1567 C ASP A 110 122.210 -6.009 -3.331 1.00 2.06 C ATOM 1568 O ASP A 110 123.058 -6.016 -2.462 1.00 2.19 O ATOM 1569 CB ASP A 110 122.282 -8.462 -3.806 1.00 2.32 C ATOM 1570 CG ASP A 110 122.786 -8.900 -2.431 1.00 2.37 C ATOM 1571 OD1 ASP A 110 122.642 -8.129 -1.497 1.00 2.61 O ATOM 1572 OD2 ASP A 110 123.309 -9.998 -2.335 1.00 2.85 O ATOM 0 H ASP A 110 119.638 -7.097 -4.885 1.00 1.99 H new ATOM 0 HA ASP A 110 120.662 -7.440 -2.846 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.738 -9.277 -4.282 1.00 2.32 H new ATOM 0 HB3 ASP A 110 123.124 -8.220 -4.454 1.00 2.32 H new ATOM 1836 N ARG B 8 114.322 11.640 -1.750 1.00 0.48 N ATOM 1837 CA ARG B 8 113.496 10.450 -2.099 1.00 0.50 C ATOM 1838 C ARG B 8 112.071 10.684 -1.599 1.00 0.48 C ATOM 1839 O ARG B 8 111.842 11.494 -0.722 1.00 0.96 O ATOM 1840 CB ARG B 8 114.105 9.209 -1.428 1.00 0.67 C ATOM 1841 CG ARG B 8 115.640 9.316 -1.470 1.00 0.80 C ATOM 1842 CD ARG B 8 116.293 7.931 -1.266 1.00 1.18 C ATOM 1843 NE ARG B 8 117.459 8.052 -0.332 1.00 1.76 N ATOM 1844 CZ ARG B 8 118.360 8.990 -0.486 1.00 2.26 C ATOM 1845 NH1 ARG B 8 118.333 9.771 -1.530 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.314 9.120 0.395 1.00 2.64 N ATOM 0 HA ARG B 8 113.476 10.294 -3.178 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.761 9.133 -0.396 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.777 8.305 -1.941 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.954 9.733 -2.427 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.982 10.002 -0.695 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.562 7.230 -0.861 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.623 7.530 -2.224 1.00 1.18 H new ATOM 0 HE ARG B 8 117.553 7.391 0.439 1.00 1.76 H new ATOM 0 HH11 ARG B 8 117.606 9.654 -2.236 1.00 3.04 H new ATOM 0 HH12 ARG B 8 119.039 10.499 -1.641 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.355 8.493 1.198 1.00 2.64 H new ATOM 0 HH22 ARG B 8 120.018 9.849 0.280 1.00 2.64 H new ATOM 1860 N VAL B 9 111.108 9.990 -2.140 1.00 0.42 N ATOM 1861 CA VAL B 9 109.707 10.194 -1.676 1.00 0.36 C ATOM 1862 C VAL B 9 109.690 10.113 -0.145 1.00 0.28 C ATOM 1863 O VAL B 9 110.601 9.585 0.462 1.00 0.38 O ATOM 1864 CB VAL B 9 108.804 9.116 -2.297 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.499 8.982 -1.503 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.476 9.499 -3.743 1.00 0.66 C ATOM 0 H VAL B 9 111.229 9.296 -2.877 1.00 0.42 H new ATOM 0 HA VAL B 9 109.333 11.170 -1.986 1.00 0.36 H new ATOM 0 HB VAL B 9 109.331 8.162 -2.272 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.873 8.214 -1.958 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.726 8.702 -0.474 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.969 9.934 -1.511 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.836 8.736 -4.185 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.959 10.459 -3.757 1.00 0.66 H new ATOM 0 HG23 VAL B 9 109.399 9.576 -4.317 1.00 0.66 H new ATOM 1876 N ALA B 10 108.673 10.651 0.479 1.00 0.27 N ATOM 1877 CA ALA B 10 108.599 10.633 1.977 1.00 0.35 C ATOM 1878 C ALA B 10 107.290 9.991 2.432 1.00 0.26 C ATOM 1879 O ALA B 10 106.255 10.157 1.818 1.00 0.40 O ATOM 1880 CB ALA B 10 108.658 12.070 2.498 1.00 0.58 C ATOM 0 H ALA B 10 107.886 11.105 0.016 1.00 0.27 H new ATOM 0 HA ALA B 10 109.436 10.055 2.369 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.605 12.065 3.587 1.00 0.58 H new ATOM 0 HB2 ALA B 10 109.593 12.533 2.183 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.818 12.637 2.096 1.00 0.58 H new ATOM 1886 N SER B 11 107.335 9.264 3.518 1.00 0.23 N ATOM 1887 CA SER B 11 106.105 8.603 4.053 1.00 0.22 C ATOM 1888 C SER B 11 106.045 8.832 5.564 1.00 0.23 C ATOM 1889 O SER B 11 107.061 8.890 6.230 1.00 0.30 O ATOM 1890 CB SER B 11 106.163 7.103 3.763 1.00 0.36 C ATOM 1891 OG SER B 11 105.328 6.413 4.684 1.00 1.19 O ATOM 0 H SER B 11 108.181 9.098 4.064 1.00 0.23 H new ATOM 0 HA SER B 11 105.219 9.023 3.578 1.00 0.22 H new ATOM 0 HB2 SER B 11 105.838 6.906 2.742 1.00 0.36 H new ATOM 0 HB3 SER B 11 107.189 6.744 3.846 1.00 0.36 H new ATOM 0 HG SER B 11 105.362 5.451 4.499 1.00 1.19 H new ATOM 1897 N SER B 12 104.866 8.975 6.112 1.00 0.27 N ATOM 1898 CA SER B 12 104.744 9.213 7.584 1.00 0.35 C ATOM 1899 C SER B 12 103.524 8.468 8.127 1.00 0.31 C ATOM 1900 O SER B 12 102.396 8.769 7.791 1.00 0.41 O ATOM 1901 CB SER B 12 104.580 10.710 7.840 1.00 0.52 C ATOM 1902 OG SER B 12 105.632 11.414 7.194 1.00 1.38 O ATOM 0 H SER B 12 103.982 8.937 5.605 1.00 0.27 H new ATOM 0 HA SER B 12 105.641 8.850 8.086 1.00 0.35 H new ATOM 0 HB2 SER B 12 103.615 11.051 7.466 1.00 0.52 H new ATOM 0 HB3 SER B 12 104.596 10.912 8.911 1.00 0.52 H new ATOM 0 HG SER B 12 105.529 12.375 7.355 1.00 1.38 H new ATOM 1908 N VAL B 13 103.745 7.498 8.969 1.00 0.27 N ATOM 1909 CA VAL B 13 102.611 6.730 9.543 1.00 0.27 C ATOM 1910 C VAL B 13 103.078 6.032 10.820 1.00 0.32 C ATOM 1911 O VAL B 13 104.267 5.945 11.094 1.00 0.41 O ATOM 1912 CB VAL B 13 102.136 5.692 8.523 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.335 4.891 8.006 1.00 0.42 C ATOM 1914 CG2 VAL B 13 101.124 4.743 9.174 1.00 0.41 C ATOM 0 H VAL B 13 104.669 7.204 9.285 1.00 0.27 H new ATOM 0 HA VAL B 13 101.786 7.402 9.779 1.00 0.27 H new ATOM 0 HB VAL B 13 101.657 6.206 7.689 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.994 4.153 7.280 1.00 0.42 H new ATOM 0 HG12 VAL B 13 104.046 5.566 7.530 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.820 4.383 8.840 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.791 4.008 8.441 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.593 4.231 10.014 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.267 5.314 9.530 1.00 0.41 H new ATOM 1924 N PHE B 14 102.157 5.531 11.603 1.00 0.36 N ATOM 1925 CA PHE B 14 102.562 4.839 12.856 1.00 0.45 C ATOM 1926 C PHE B 14 101.360 4.261 13.603 1.00 0.34 C ATOM 1927 O PHE B 14 100.264 4.171 13.089 1.00 0.35 O ATOM 1928 CB PHE B 14 103.266 5.818 13.784 1.00 0.59 C ATOM 1929 CG PHE B 14 102.295 6.851 14.318 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.740 7.802 13.453 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.963 6.867 15.679 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.854 8.764 13.947 1.00 1.03 C ATOM 1933 CE2 PHE B 14 101.077 7.831 16.173 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.521 8.779 15.307 1.00 1.54 C ATOM 0 H PHE B 14 101.153 5.572 11.429 1.00 0.36 H new ATOM 0 HA PHE B 14 103.227 4.024 12.570 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.720 5.276 14.614 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.074 6.316 13.248 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.996 7.792 12.404 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.391 6.135 16.347 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.426 9.497 13.279 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.822 7.843 17.222 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.835 9.522 15.687 1.00 1.54 H new ATOM 1944 N ILE B 15 101.586 3.872 14.839 1.00 0.34 N ATOM 1945 CA ILE B 15 100.502 3.297 15.680 1.00 0.33 C ATOM 1946 C ILE B 15 100.657 3.845 17.106 1.00 0.31 C ATOM 1947 O ILE B 15 101.745 4.194 17.527 1.00 0.58 O ATOM 1948 CB ILE B 15 100.626 1.765 15.704 1.00 0.51 C ATOM 1949 CG1 ILE B 15 102.117 1.347 15.841 1.00 0.62 C ATOM 1950 CG2 ILE B 15 100.006 1.173 14.430 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.789 1.172 14.467 1.00 1.25 C ATOM 0 H ILE B 15 102.493 3.933 15.301 1.00 0.34 H new ATOM 0 HA ILE B 15 99.527 3.568 15.274 1.00 0.33 H new ATOM 0 HB ILE B 15 100.085 1.375 16.566 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.655 2.101 16.415 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.183 0.413 16.400 1.00 0.62 H new ATOM 0 HG21 ILE B 15 100.097 0.087 14.452 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.953 1.448 14.376 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.528 1.563 13.556 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.830 0.880 14.606 1.00 1.25 H new ATOM 0 HD12 ILE B 15 102.267 0.399 13.903 1.00 1.25 H new ATOM 0 HD13 ILE B 15 102.746 2.113 13.919 1.00 1.25 H new ATOM 1963 N THR B 16 99.579 3.928 17.850 1.00 0.35 N ATOM 1964 CA THR B 16 99.652 4.461 19.252 1.00 0.47 C ATOM 1965 C THR B 16 99.090 3.429 20.232 1.00 0.31 C ATOM 1966 O THR B 16 98.016 2.894 20.040 1.00 0.35 O ATOM 1967 CB THR B 16 98.824 5.746 19.344 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.112 6.572 18.224 1.00 1.61 O ATOM 1969 CG2 THR B 16 99.172 6.492 20.634 1.00 1.40 C ATOM 0 H THR B 16 98.646 3.648 17.546 1.00 0.35 H new ATOM 0 HA THR B 16 100.692 4.668 19.505 1.00 0.47 H new ATOM 0 HB THR B 16 97.763 5.495 19.350 1.00 0.75 H new ATOM 0 HG1 THR B 16 98.582 7.395 18.279 1.00 1.61 H new ATOM 0 HG21 THR B 16 98.581 7.406 20.696 1.00 1.40 H new ATOM 0 HG22 THR B 16 98.951 5.857 21.492 1.00 1.40 H new ATOM 0 HG23 THR B 16 100.232 6.745 20.633 1.00 1.40 H new ATOM 1977 N LEU B 17 99.810 3.151 21.291 1.00 0.39 N ATOM 1978 CA LEU B 17 99.329 2.160 22.303 1.00 0.44 C ATOM 1979 C LEU B 17 98.712 2.913 23.484 1.00 0.31 C ATOM 1980 O LEU B 17 99.375 3.675 24.161 1.00 0.54 O ATOM 1981 CB LEU B 17 100.512 1.318 22.792 1.00 0.72 C ATOM 1982 CG LEU B 17 101.378 0.904 21.599 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.461 -0.068 22.070 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.505 0.219 20.542 1.00 1.32 C ATOM 0 H LEU B 17 100.716 3.571 21.499 1.00 0.39 H new ATOM 0 HA LEU B 17 98.582 1.505 21.855 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.107 1.889 23.505 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.150 0.433 23.315 1.00 0.72 H new ATOM 0 HG LEU B 17 101.844 1.789 21.166 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.078 -0.364 21.222 1.00 1.06 H new ATOM 0 HD12 LEU B 17 103.084 0.418 22.821 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.993 -0.952 22.504 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.124 -0.075 19.694 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.038 -0.666 20.974 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.732 0.910 20.205 1.00 1.32 H new