USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 SER OG : rot -169:sc= 0.0403 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -149:sc= -1.91! (180deg=-2.73!) USER MOD Set 1.3: A 95 HIS : no HD1:sc= -1.56! C(o=-3.4!,f=-13!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 167:sc= 1.09! (180deg=0.509) USER MOD Set 2.2: A 43 THR OG1 : rot -80:sc= -2.42! USER MOD Single : A 19 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-3.2!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -40:sc= 1.15 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -135:sc= -0.444 USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= -0.662 (180deg=-0.821) 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= -0.0842 USER MOD Single : A 77 TYR OH : rot -68:sc= 0.113 USER MOD Single : A 80 GLN : amide:sc= -0.0814 X(o=-0.081,f=-0.14) USER MOD Single : A 85 TYR OH : rot -16:sc= -1.06! USER MOD Single : A 92 ASN : amide:sc= -0.0543 X(o=-0.054,f=0) USER MOD Single : A 99 SER OG : rot 20:sc= 0.179 USER MOD Single : A 107 SER OG : rot 180:sc=-0.00723 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= -0.0568 USER MOD Single : B 12 SER OG : rot 24:sc= 0.779 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 114.412 6.265 28.731 1.00 2.21 N ATOM 228 CA GLY A 16 112.977 5.898 28.869 1.00 2.06 C ATOM 229 C GLY A 16 112.684 4.546 28.202 1.00 1.98 C ATOM 230 O GLY A 16 113.515 3.661 28.165 1.00 2.44 O ATOM 0 HA2 GLY A 16 112.711 5.851 29.925 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.356 6.672 28.418 1.00 2.06 H new ATOM 234 N GLY A 17 111.484 4.388 27.701 1.00 1.81 N ATOM 235 CA GLY A 17 111.072 3.104 27.052 1.00 1.74 C ATOM 236 C GLY A 17 112.210 2.501 26.223 1.00 1.78 C ATOM 237 O GLY A 17 112.230 1.314 25.964 1.00 1.80 O ATOM 0 H GLY A 17 110.760 5.107 27.715 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.762 2.392 27.817 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.208 3.280 26.411 1.00 1.74 H new ATOM 241 N ALA A 18 113.146 3.295 25.789 1.00 1.84 N ATOM 242 CA ALA A 18 114.267 2.743 24.966 1.00 1.96 C ATOM 243 C ALA A 18 114.831 1.477 25.623 1.00 2.07 C ATOM 244 O ALA A 18 115.610 0.758 25.030 1.00 2.21 O ATOM 245 CB ALA A 18 115.374 3.808 24.835 1.00 2.09 C ATOM 0 H ALA A 18 113.188 4.299 25.965 1.00 1.84 H new ATOM 0 HA ALA A 18 113.894 2.483 23.975 1.00 1.96 H new ATOM 0 HB1 ALA A 18 116.193 3.410 24.236 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.969 4.696 24.351 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.744 4.072 25.826 1.00 2.09 H new ATOM 251 N HIS A 19 114.455 1.207 26.843 1.00 2.06 N ATOM 252 CA HIS A 19 114.979 -0.002 27.542 1.00 2.21 C ATOM 253 C HIS A 19 113.974 -1.157 27.431 1.00 2.15 C ATOM 254 O HIS A 19 114.350 -2.304 27.293 1.00 2.33 O ATOM 255 CB HIS A 19 115.205 0.346 29.016 1.00 2.33 C ATOM 256 CG HIS A 19 115.563 -0.898 29.785 1.00 2.51 C ATOM 257 ND1 HIS A 19 116.106 -2.015 29.171 1.00 2.79 N ATOM 258 CD2 HIS A 19 115.461 -1.214 31.117 1.00 2.86 C ATOM 259 CE1 HIS A 19 116.307 -2.944 30.123 1.00 2.87 C ATOM 260 NE2 HIS A 19 115.931 -2.507 31.329 1.00 2.87 N ATOM 0 H HIS A 19 113.805 1.773 27.388 1.00 2.06 H new ATOM 0 HA HIS A 19 115.916 -0.314 27.082 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.003 1.083 29.107 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.305 0.797 29.435 1.00 2.33 H new ATOM 0 HD1 HIS A 19 116.315 -2.115 28.178 1.00 2.79 H new ATOM 0 HD2 HIS A 19 115.075 -0.559 31.884 1.00 2.86 H new ATOM 0 HE1 HIS A 19 116.722 -3.923 29.936 1.00 2.87 H new ATOM 268 N LYS A 20 112.701 -0.870 27.505 1.00 2.02 N ATOM 269 CA LYS A 20 111.678 -1.960 27.422 1.00 2.01 C ATOM 270 C LYS A 20 111.245 -2.179 25.971 1.00 1.90 C ATOM 271 O LYS A 20 110.624 -3.173 25.650 1.00 1.96 O ATOM 272 CB LYS A 20 110.458 -1.571 28.268 1.00 1.99 C ATOM 273 CG LYS A 20 109.779 -0.304 27.689 1.00 1.81 C ATOM 274 CD LYS A 20 108.536 -0.686 26.865 1.00 1.74 C ATOM 275 CE LYS A 20 108.167 0.452 25.896 1.00 1.58 C ATOM 276 NZ LYS A 20 106.693 0.453 25.673 1.00 1.94 N ATOM 0 H LYS A 20 112.323 0.071 27.619 1.00 2.02 H new ATOM 0 HA LYS A 20 112.114 -2.885 27.799 1.00 2.01 H new ATOM 0 HB2 LYS A 20 109.745 -2.395 28.290 1.00 1.99 H new ATOM 0 HB3 LYS A 20 110.765 -1.388 29.298 1.00 1.99 H new ATOM 0 HG2 LYS A 20 109.493 0.365 28.500 1.00 1.81 H new ATOM 0 HG3 LYS A 20 110.485 0.240 27.062 1.00 1.81 H new ATOM 0 HD2 LYS A 20 108.729 -1.601 26.305 1.00 1.74 H new ATOM 0 HD3 LYS A 20 107.698 -0.891 27.532 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.485 1.411 26.306 1.00 1.58 H new ATOM 0 HE3 LYS A 20 108.689 0.321 24.948 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 106.413 1.339 25.205 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 106.432 -0.354 25.071 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.204 0.375 26.587 1.00 1.94 H new ATOM 290 N VAL A 21 111.554 -1.269 25.088 1.00 1.80 N ATOM 291 CA VAL A 21 111.139 -1.456 23.668 1.00 1.71 C ATOM 292 C VAL A 21 112.091 -2.431 22.977 1.00 1.76 C ATOM 293 O VAL A 21 113.263 -2.167 22.800 1.00 1.81 O ATOM 294 CB VAL A 21 111.124 -0.098 22.942 1.00 1.64 C ATOM 295 CG1 VAL A 21 112.550 0.348 22.592 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.297 -0.215 21.657 1.00 1.75 C ATOM 0 H VAL A 21 112.071 -0.412 25.285 1.00 1.80 H new ATOM 0 HA VAL A 21 110.132 -1.873 23.636 1.00 1.71 H new ATOM 0 HB VAL A 21 110.680 0.645 23.604 1.00 1.64 H new ATOM 0 HG11 VAL A 21 112.515 1.310 22.080 1.00 2.07 H new ATOM 0 HG12 VAL A 21 113.136 0.445 23.506 1.00 2.07 H new ATOM 0 HG13 VAL A 21 113.014 -0.393 21.941 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.286 0.746 21.143 1.00 1.75 H new ATOM 0 HG22 VAL A 21 110.740 -0.970 21.007 1.00 1.75 H new ATOM 0 HG23 VAL A 21 109.276 -0.505 21.906 1.00 1.75 H new ATOM 306 N ARG A 22 111.578 -3.568 22.594 1.00 1.78 N ATOM 307 CA ARG A 22 112.410 -4.601 21.911 1.00 1.85 C ATOM 308 C ARG A 22 111.985 -4.690 20.445 1.00 1.74 C ATOM 309 O ARG A 22 110.813 -4.650 20.123 1.00 1.66 O ATOM 310 CB ARG A 22 112.172 -5.948 22.600 1.00 1.96 C ATOM 311 CG ARG A 22 113.046 -7.055 21.964 1.00 2.03 C ATOM 312 CD ARG A 22 114.422 -7.091 22.637 1.00 2.18 C ATOM 313 NE ARG A 22 114.299 -7.691 23.994 1.00 2.75 N ATOM 314 CZ ARG A 22 115.367 -8.100 24.622 1.00 3.10 C ATOM 315 NH1 ARG A 22 116.538 -7.982 24.058 1.00 3.50 N ATOM 316 NH2 ARG A 22 115.265 -8.625 25.813 1.00 3.33 N ATOM 0 H ARG A 22 110.601 -3.830 22.728 1.00 1.78 H new ATOM 0 HA ARG A 22 113.467 -4.339 21.966 1.00 1.85 H new ATOM 0 HB2 ARG A 22 112.401 -5.863 23.662 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.119 -6.220 22.522 1.00 1.96 H new ATOM 0 HG2 ARG A 22 112.555 -8.022 22.070 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.160 -6.871 20.896 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.118 -7.673 22.033 1.00 2.18 H new ATOM 0 HD3 ARG A 22 114.829 -6.082 22.710 1.00 2.18 H new ATOM 0 HE ARG A 22 113.382 -7.782 24.432 1.00 2.75 H new ATOM 0 HH11 ARG A 22 116.617 -7.571 23.128 1.00 3.50 H new ATOM 0 HH12 ARG A 22 117.374 -8.301 24.547 1.00 3.50 H new ATOM 0 HH21 ARG A 22 114.350 -8.716 26.254 1.00 3.33 H new ATOM 0 HH22 ARG A 22 116.101 -8.944 26.303 1.00 3.33 H new ATOM 330 N ALA A 23 112.933 -4.821 19.557 1.00 1.77 N ATOM 331 CA ALA A 23 112.600 -4.924 18.107 1.00 1.68 C ATOM 332 C ALA A 23 113.624 -5.826 17.419 1.00 1.77 C ATOM 333 O ALA A 23 114.790 -5.497 17.318 1.00 1.83 O ATOM 334 CB ALA A 23 112.638 -3.532 17.475 1.00 1.59 C ATOM 0 H ALA A 23 113.929 -4.861 19.775 1.00 1.77 H new ATOM 0 HA ALA A 23 111.602 -5.347 17.989 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.395 -3.607 16.415 1.00 1.59 H new ATOM 0 HB2 ALA A 23 111.911 -2.888 17.970 1.00 1.59 H new ATOM 0 HB3 ALA A 23 113.636 -3.108 17.589 1.00 1.59 H new ATOM 340 N GLY A 24 113.196 -6.965 16.945 1.00 1.80 N ATOM 341 CA GLY A 24 114.139 -7.902 16.259 1.00 1.90 C ATOM 342 C GLY A 24 113.392 -8.666 15.163 1.00 1.86 C ATOM 343 O GLY A 24 112.351 -9.247 15.398 1.00 1.86 O ATOM 0 H GLY A 24 112.231 -7.290 17.002 1.00 1.80 H new ATOM 0 HA2 GLY A 24 114.971 -7.346 15.827 1.00 1.90 H new ATOM 0 HA3 GLY A 24 114.563 -8.601 16.980 1.00 1.90 H new ATOM 347 N GLY A 25 113.913 -8.669 13.964 1.00 1.85 N ATOM 348 CA GLY A 25 113.225 -9.397 12.858 1.00 1.84 C ATOM 349 C GLY A 25 114.052 -9.292 11.573 1.00 1.84 C ATOM 350 O GLY A 25 115.016 -8.556 11.501 1.00 1.84 O ATOM 0 H GLY A 25 114.781 -8.201 13.704 1.00 1.85 H new ATOM 0 HA2 GLY A 25 113.089 -10.444 13.129 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.232 -8.978 12.697 1.00 1.84 H new ATOM 354 N THR A 26 113.677 -10.022 10.556 1.00 1.86 N ATOM 355 CA THR A 26 114.436 -9.966 9.272 1.00 1.87 C ATOM 356 C THR A 26 114.107 -8.660 8.548 1.00 1.75 C ATOM 357 O THR A 26 114.874 -8.172 7.736 1.00 1.76 O ATOM 358 CB THR A 26 114.036 -11.148 8.388 1.00 1.96 C ATOM 359 OG1 THR A 26 114.194 -12.359 9.115 1.00 2.31 O ATOM 360 CG2 THR A 26 114.922 -11.178 7.142 1.00 2.29 C ATOM 0 H THR A 26 112.877 -10.655 10.559 1.00 1.86 H new ATOM 0 HA THR A 26 115.505 -10.013 9.480 1.00 1.87 H new ATOM 0 HB THR A 26 112.994 -11.040 8.087 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.936 -13.116 8.549 1.00 2.31 H new ATOM 0 HG21 THR A 26 114.636 -12.021 6.513 1.00 2.29 H new ATOM 0 HG22 THR A 26 114.797 -10.250 6.584 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.965 -11.285 7.440 1.00 2.29 H new ATOM 368 N GLY A 27 112.974 -8.086 8.841 1.00 1.64 N ATOM 369 CA GLY A 27 112.595 -6.811 8.181 1.00 1.54 C ATOM 370 C GLY A 27 113.526 -5.716 8.679 1.00 1.50 C ATOM 371 O GLY A 27 113.800 -4.751 7.994 1.00 1.46 O ATOM 0 H GLY A 27 112.294 -8.447 9.510 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.669 -6.908 7.098 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.559 -6.560 8.408 1.00 1.54 H new ATOM 375 N LEU A 28 114.024 -5.872 9.871 1.00 1.57 N ATOM 376 CA LEU A 28 114.952 -4.860 10.432 1.00 1.59 C ATOM 377 C LEU A 28 116.348 -5.120 9.868 1.00 1.69 C ATOM 378 O LEU A 28 117.347 -4.801 10.482 1.00 1.83 O ATOM 379 CB LEU A 28 114.979 -4.997 11.957 1.00 1.65 C ATOM 380 CG LEU A 28 113.627 -4.557 12.555 1.00 1.58 C ATOM 381 CD1 LEU A 28 113.447 -5.187 13.939 1.00 1.66 C ATOM 382 CD2 LEU A 28 113.575 -3.029 12.695 1.00 1.61 C ATOM 0 H LEU A 28 113.826 -6.663 10.484 1.00 1.57 H new ATOM 0 HA LEU A 28 114.626 -3.854 10.167 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.188 -6.031 12.233 1.00 1.65 H new ATOM 0 HB3 LEU A 28 115.783 -4.388 12.370 1.00 1.65 H new ATOM 0 HG LEU A 28 112.830 -4.885 11.888 1.00 1.58 H new ATOM 0 HD11 LEU A 28 112.491 -4.875 14.359 1.00 1.66 H new ATOM 0 HD12 LEU A 28 113.467 -6.273 13.850 1.00 1.66 H new ATOM 0 HD13 LEU A 28 114.255 -4.862 14.594 1.00 1.66 H new ATOM 0 HD21 LEU A 28 112.615 -2.735 13.118 1.00 1.61 H new ATOM 0 HD22 LEU A 28 114.378 -2.696 13.352 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.695 -2.569 11.714 1.00 1.61 H new ATOM 394 N GLU A 29 116.417 -5.708 8.698 1.00 1.73 N ATOM 395 CA GLU A 29 117.740 -6.012 8.068 1.00 1.84 C ATOM 396 C GLU A 29 117.732 -5.551 6.609 1.00 1.75 C ATOM 397 O GLU A 29 118.627 -4.857 6.169 1.00 1.78 O ATOM 398 CB GLU A 29 117.988 -7.521 8.124 1.00 2.00 C ATOM 399 CG GLU A 29 117.683 -8.037 9.532 1.00 2.06 C ATOM 400 CD GLU A 29 118.124 -9.497 9.649 1.00 1.98 C ATOM 401 OE1 GLU A 29 118.757 -9.980 8.724 1.00 2.21 O ATOM 402 OE2 GLU A 29 117.822 -10.107 10.661 1.00 2.34 O ATOM 0 H GLU A 29 115.606 -5.993 8.148 1.00 1.73 H new ATOM 0 HA GLU A 29 118.530 -5.489 8.607 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.359 -8.031 7.394 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.023 -7.740 7.861 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.202 -7.429 10.273 1.00 2.06 H new ATOM 0 HG3 GLU A 29 116.616 -7.951 9.739 1.00 2.06 H new ATOM 409 N ARG A 30 116.737 -5.927 5.847 1.00 1.69 N ATOM 410 CA ARG A 30 116.709 -5.494 4.417 1.00 1.64 C ATOM 411 C ARG A 30 115.341 -5.786 3.792 1.00 1.59 C ATOM 412 O ARG A 30 114.461 -6.341 4.420 1.00 1.61 O ATOM 413 CB ARG A 30 117.787 -6.250 3.640 1.00 1.75 C ATOM 414 CG ARG A 30 117.580 -7.756 3.816 1.00 2.21 C ATOM 415 CD ARG A 30 118.682 -8.515 3.074 1.00 2.47 C ATOM 416 NE ARG A 30 118.312 -9.955 2.976 1.00 2.96 N ATOM 417 CZ ARG A 30 118.943 -10.735 2.142 1.00 3.36 C ATOM 418 NH1 ARG A 30 119.897 -10.253 1.393 1.00 3.77 N ATOM 419 NH2 ARG A 30 118.620 -11.997 2.057 1.00 3.76 N ATOM 0 H ARG A 30 115.953 -6.507 6.147 1.00 1.69 H new ATOM 0 HA ARG A 30 116.895 -4.421 4.372 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.741 -5.987 2.583 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.776 -5.964 3.997 1.00 1.75 H new ATOM 0 HG2 ARG A 30 117.596 -8.014 4.875 1.00 2.21 H new ATOM 0 HG3 ARG A 30 116.602 -8.046 3.432 1.00 2.21 H new ATOM 0 HD2 ARG A 30 118.820 -8.095 2.078 1.00 2.47 H new ATOM 0 HD3 ARG A 30 119.631 -8.407 3.600 1.00 2.47 H new ATOM 0 HE ARG A 30 117.566 -10.331 3.561 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.149 -9.267 1.460 1.00 3.77 H new ATOM 0 HH12 ARG A 30 120.391 -10.862 0.741 1.00 3.77 H new ATOM 0 HH21 ARG A 30 117.874 -12.373 2.643 1.00 3.76 H new ATOM 0 HH22 ARG A 30 119.113 -12.607 1.405 1.00 3.76 H new ATOM 433 N GLY A 31 115.164 -5.414 2.548 1.00 1.54 N ATOM 434 CA GLY A 31 113.867 -5.663 1.854 1.00 1.52 C ATOM 435 C GLY A 31 114.138 -5.821 0.358 1.00 1.55 C ATOM 436 O GLY A 31 115.259 -5.668 -0.087 1.00 1.57 O ATOM 0 H GLY A 31 115.870 -4.945 1.981 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.392 -6.561 2.250 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.179 -4.836 2.029 1.00 1.52 H new ATOM 440 N VAL A 32 113.132 -6.134 -0.425 1.00 1.56 N ATOM 441 CA VAL A 32 113.348 -6.307 -1.900 1.00 1.60 C ATOM 442 C VAL A 32 112.250 -5.585 -2.700 1.00 1.53 C ATOM 443 O VAL A 32 111.139 -5.403 -2.244 1.00 1.50 O ATOM 444 CB VAL A 32 113.356 -7.808 -2.220 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.234 -8.039 -3.730 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.668 -8.422 -1.724 1.00 1.83 C ATOM 0 H VAL A 32 112.173 -6.277 -0.109 1.00 1.56 H new ATOM 0 HA VAL A 32 114.303 -5.866 -2.185 1.00 1.60 H new ATOM 0 HB VAL A 32 112.507 -8.277 -1.722 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.242 -9.109 -3.936 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.300 -7.607 -4.090 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.073 -7.565 -4.239 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.679 -9.488 -1.949 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.508 -7.938 -2.222 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.753 -8.278 -0.647 1.00 1.83 H new ATOM 456 N ALA A 33 112.583 -5.166 -3.895 1.00 1.51 N ATOM 457 CA ALA A 33 111.610 -4.436 -4.772 1.00 1.46 C ATOM 458 C ALA A 33 110.183 -5.016 -4.681 1.00 1.53 C ATOM 459 O ALA A 33 109.894 -6.073 -5.208 1.00 1.64 O ATOM 460 CB ALA A 33 112.106 -4.524 -6.236 1.00 1.51 C ATOM 0 H ALA A 33 113.505 -5.301 -4.309 1.00 1.51 H new ATOM 0 HA ALA A 33 111.560 -3.401 -4.432 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.409 -3.998 -6.888 1.00 1.51 H new ATOM 0 HB2 ALA A 33 113.092 -4.067 -6.314 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.166 -5.570 -6.538 1.00 1.51 H new ATOM 466 N GLY A 34 109.284 -4.293 -4.068 1.00 1.46 N ATOM 467 CA GLY A 34 107.863 -4.737 -3.989 1.00 1.52 C ATOM 468 C GLY A 34 107.744 -6.133 -3.397 1.00 1.62 C ATOM 469 O GLY A 34 107.122 -7.002 -3.976 1.00 1.73 O ATOM 0 H GLY A 34 109.478 -3.401 -3.613 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.295 -4.034 -3.380 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.422 -4.725 -4.986 1.00 1.52 H new ATOM 473 N VAL A 35 108.310 -6.355 -2.238 1.00 1.59 N ATOM 474 CA VAL A 35 108.207 -7.696 -1.584 1.00 1.69 C ATOM 475 C VAL A 35 107.677 -7.492 -0.142 1.00 1.61 C ATOM 476 O VAL A 35 108.274 -6.739 0.600 1.00 1.55 O ATOM 477 CB VAL A 35 109.599 -8.348 -1.554 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.623 -9.508 -0.552 1.00 2.04 C ATOM 479 CG2 VAL A 35 109.928 -8.887 -2.951 1.00 2.19 C ATOM 0 H VAL A 35 108.842 -5.661 -1.713 1.00 1.59 H new ATOM 0 HA VAL A 35 107.527 -8.346 -2.135 1.00 1.69 H new ATOM 0 HB VAL A 35 110.335 -7.603 -1.252 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.615 -9.960 -0.542 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.385 -9.134 0.444 1.00 2.04 H new ATOM 0 HG13 VAL A 35 108.887 -10.257 -0.844 1.00 2.04 H new ATOM 0 HG21 VAL A 35 110.914 -9.351 -2.939 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.182 -9.627 -3.240 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.922 -8.066 -3.668 1.00 2.19 H new ATOM 489 N PRO A 36 106.580 -8.140 0.241 1.00 1.67 N ATOM 490 CA PRO A 36 106.045 -7.960 1.604 1.00 1.61 C ATOM 491 C PRO A 36 107.120 -8.325 2.633 1.00 1.61 C ATOM 492 O PRO A 36 107.722 -9.379 2.565 1.00 1.74 O ATOM 493 CB PRO A 36 104.822 -8.905 1.693 1.00 1.76 C ATOM 494 CG PRO A 36 104.669 -9.600 0.309 1.00 1.96 C ATOM 495 CD PRO A 36 105.800 -9.076 -0.605 1.00 1.85 C ATOM 0 HA PRO A 36 105.754 -6.930 1.811 1.00 1.61 H new ATOM 0 HB2 PRO A 36 104.965 -9.645 2.480 1.00 1.76 H new ATOM 0 HB3 PRO A 36 103.921 -8.344 1.943 1.00 1.76 H new ATOM 0 HG2 PRO A 36 104.733 -10.683 0.415 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.693 -9.380 -0.124 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.424 -9.893 -0.967 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.396 -8.571 -1.482 1.00 1.85 H new ATOM 503 N ALA A 37 107.368 -7.454 3.581 1.00 1.53 N ATOM 504 CA ALA A 37 108.415 -7.742 4.619 1.00 1.62 C ATOM 505 C ALA A 37 107.868 -7.397 6.006 1.00 1.53 C ATOM 506 O ALA A 37 106.942 -6.623 6.140 1.00 1.52 O ATOM 507 CB ALA A 37 109.654 -6.893 4.327 1.00 1.69 C ATOM 0 H ALA A 37 106.893 -6.557 3.683 1.00 1.53 H new ATOM 0 HA ALA A 37 108.681 -8.799 4.592 1.00 1.62 H new ATOM 0 HB1 ALA A 37 110.419 -7.096 5.076 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.040 -7.140 3.338 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.387 -5.837 4.358 1.00 1.69 H new ATOM 513 N GLU A 38 108.427 -7.970 7.043 1.00 1.50 N ATOM 514 CA GLU A 38 107.918 -7.666 8.411 1.00 1.45 C ATOM 515 C GLU A 38 108.959 -8.014 9.471 1.00 1.50 C ATOM 516 O GLU A 38 109.893 -8.757 9.238 1.00 1.60 O ATOM 517 CB GLU A 38 106.639 -8.479 8.675 1.00 1.54 C ATOM 518 CG GLU A 38 106.987 -9.945 8.972 1.00 1.68 C ATOM 519 CD GLU A 38 105.743 -10.819 8.789 1.00 1.83 C ATOM 520 OE1 GLU A 38 105.347 -11.020 7.653 1.00 2.12 O ATOM 521 OE2 GLU A 38 105.209 -11.272 9.788 1.00 2.23 O ATOM 0 H GLU A 38 109.205 -8.628 7.001 1.00 1.50 H new ATOM 0 HA GLU A 38 107.704 -6.599 8.468 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.095 -8.050 9.517 1.00 1.54 H new ATOM 0 HB3 GLU A 38 105.980 -8.424 7.808 1.00 1.54 H new ATOM 0 HG2 GLU A 38 107.781 -10.282 8.306 1.00 1.68 H new ATOM 0 HG3 GLU A 38 107.363 -10.040 9.991 1.00 1.68 H new ATOM 528 N PHE A 39 108.762 -7.502 10.654 1.00 1.46 N ATOM 529 CA PHE A 39 109.678 -7.807 11.783 1.00 1.54 C ATOM 530 C PHE A 39 108.811 -7.988 13.019 1.00 1.53 C ATOM 531 O PHE A 39 107.598 -7.909 12.948 1.00 1.50 O ATOM 532 CB PHE A 39 110.699 -6.678 12.006 1.00 1.54 C ATOM 533 CG PHE A 39 110.063 -5.323 11.790 1.00 1.31 C ATOM 534 CD1 PHE A 39 109.693 -4.930 10.504 1.00 1.36 C ATOM 535 CD2 PHE A 39 109.865 -4.453 12.871 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.121 -3.671 10.291 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.295 -3.192 12.657 1.00 1.37 C ATOM 538 CZ PHE A 39 108.922 -2.802 11.367 1.00 1.30 C ATOM 0 H PHE A 39 107.992 -6.875 10.887 1.00 1.46 H new ATOM 0 HA PHE A 39 110.252 -8.708 11.566 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.099 -6.739 13.018 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.539 -6.802 11.323 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.848 -5.599 9.671 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.152 -4.755 13.868 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.833 -3.371 9.294 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.143 -2.520 13.489 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.481 -1.830 11.202 1.00 1.30 H new ATOM 548 N SER A 40 109.412 -8.246 14.142 1.00 1.60 N ATOM 549 CA SER A 40 108.620 -8.463 15.397 1.00 1.61 C ATOM 550 C SER A 40 108.987 -7.418 16.453 1.00 1.59 C ATOM 551 O SER A 40 110.120 -6.994 16.559 1.00 1.64 O ATOM 552 CB SER A 40 108.931 -9.856 15.946 1.00 1.73 C ATOM 553 OG SER A 40 110.218 -9.845 16.550 1.00 2.37 O ATOM 0 H SER A 40 110.423 -8.318 14.253 1.00 1.60 H new ATOM 0 HA SER A 40 107.559 -8.372 15.165 1.00 1.61 H new ATOM 0 HB2 SER A 40 108.176 -10.149 16.676 1.00 1.73 H new ATOM 0 HB3 SER A 40 108.900 -10.592 15.142 1.00 1.73 H new ATOM 0 HG SER A 40 110.829 -9.303 16.008 1.00 2.37 H new ATOM 559 N ILE A 41 108.028 -7.015 17.247 1.00 1.54 N ATOM 560 CA ILE A 41 108.293 -6.009 18.322 1.00 1.54 C ATOM 561 C ILE A 41 107.444 -6.368 19.547 1.00 1.60 C ATOM 562 O ILE A 41 106.250 -6.553 19.443 1.00 1.65 O ATOM 563 CB ILE A 41 107.914 -4.603 17.823 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.001 -4.087 16.874 1.00 1.47 C ATOM 565 CG2 ILE A 41 107.787 -3.637 19.012 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.517 -2.816 16.168 1.00 1.34 C ATOM 0 H ILE A 41 107.063 -7.343 17.197 1.00 1.54 H new ATOM 0 HA ILE A 41 109.351 -6.016 18.586 1.00 1.54 H new ATOM 0 HB ILE A 41 106.959 -4.660 17.300 1.00 1.45 H new ATOM 0 HG12 ILE A 41 109.914 -3.878 17.432 1.00 1.47 H new ATOM 0 HG13 ILE A 41 109.246 -4.852 16.137 1.00 1.47 H new ATOM 0 HG21 ILE A 41 107.519 -2.645 18.648 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.014 -3.996 19.691 1.00 1.50 H new ATOM 0 HG23 ILE A 41 108.739 -3.584 19.541 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.295 -2.455 15.495 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.616 -3.038 15.596 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.295 -2.049 16.910 1.00 1.34 H new ATOM 578 N TRP A 42 108.051 -6.455 20.706 1.00 1.65 N ATOM 579 CA TRP A 42 107.280 -6.790 21.951 1.00 1.71 C ATOM 580 C TRP A 42 107.594 -5.741 23.026 1.00 1.77 C ATOM 581 O TRP A 42 108.724 -5.322 23.184 1.00 1.78 O ATOM 582 CB TRP A 42 107.664 -8.207 22.433 1.00 1.88 C ATOM 583 CG TRP A 42 108.912 -8.177 23.266 1.00 2.08 C ATOM 584 CD1 TRP A 42 110.131 -8.596 22.857 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.078 -7.718 24.641 1.00 2.36 C ATOM 586 NE1 TRP A 42 111.034 -8.423 23.891 1.00 2.89 N ATOM 587 CE2 TRP A 42 110.433 -7.884 25.011 1.00 2.64 C ATOM 588 CE3 TRP A 42 108.193 -7.178 25.592 1.00 3.00 C ATOM 589 CZ2 TRP A 42 110.895 -7.527 26.278 1.00 3.08 C ATOM 590 CZ3 TRP A 42 108.655 -6.818 26.869 1.00 3.68 C ATOM 591 CH2 TRP A 42 110.003 -6.993 27.211 1.00 3.56 C ATOM 0 H TRP A 42 109.051 -6.308 20.847 1.00 1.65 H new ATOM 0 HA TRP A 42 106.209 -6.778 21.747 1.00 1.71 H new ATOM 0 HB2 TRP A 42 106.845 -8.630 23.015 1.00 1.88 H new ATOM 0 HB3 TRP A 42 107.814 -8.859 21.572 1.00 1.88 H new ATOM 0 HD1 TRP A 42 110.362 -9.000 21.882 1.00 2.66 H new ATOM 0 HE1 TRP A 42 112.023 -8.664 23.833 1.00 2.89 H new ATOM 0 HE3 TRP A 42 107.152 -7.039 25.339 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 111.935 -7.663 26.536 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 107.967 -6.404 27.592 1.00 3.68 H new ATOM 0 HH2 TRP A 42 110.352 -6.715 28.195 1.00 3.56 H new ATOM 602 N THR A 43 106.604 -5.308 23.759 1.00 1.91 N ATOM 603 CA THR A 43 106.859 -4.282 24.808 1.00 2.07 C ATOM 604 C THR A 43 105.695 -4.252 25.801 1.00 1.92 C ATOM 605 O THR A 43 104.543 -4.339 25.427 1.00 2.17 O ATOM 606 CB THR A 43 106.996 -2.910 24.148 1.00 2.42 C ATOM 607 OG1 THR A 43 106.729 -1.897 25.106 1.00 2.72 O ATOM 608 CG2 THR A 43 106.001 -2.797 22.991 1.00 2.89 C ATOM 0 H THR A 43 105.636 -5.619 23.677 1.00 1.91 H new ATOM 0 HA THR A 43 107.778 -4.531 25.339 1.00 2.07 H new ATOM 0 HB THR A 43 108.009 -2.790 23.765 1.00 2.42 H new ATOM 0 HG1 THR A 43 105.760 -1.795 25.213 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.099 -1.819 22.521 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.208 -3.575 22.256 1.00 2.89 H new ATOM 0 HG23 THR A 43 104.986 -2.917 23.371 1.00 2.89 H new ATOM 616 N ARG A 44 105.992 -4.124 27.066 1.00 1.96 N ATOM 617 CA ARG A 44 104.911 -4.081 28.090 1.00 1.92 C ATOM 618 C ARG A 44 105.518 -3.724 29.449 1.00 1.92 C ATOM 619 O ARG A 44 105.562 -4.535 30.352 1.00 2.18 O ATOM 620 CB ARG A 44 104.231 -5.451 28.177 1.00 2.09 C ATOM 621 CG ARG A 44 102.910 -5.317 28.939 1.00 2.62 C ATOM 622 CD ARG A 44 102.235 -6.686 29.036 1.00 3.00 C ATOM 623 NE ARG A 44 101.026 -6.582 29.902 1.00 3.63 N ATOM 624 CZ ARG A 44 100.135 -7.536 29.896 1.00 4.14 C ATOM 625 NH1 ARG A 44 100.305 -8.582 29.135 1.00 4.51 N ATOM 626 NH2 ARG A 44 99.075 -7.443 30.651 1.00 4.63 N ATOM 0 H ARG A 44 106.940 -4.047 27.435 1.00 1.96 H new ATOM 0 HA ARG A 44 104.172 -3.330 27.810 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.048 -5.842 27.176 1.00 2.09 H new ATOM 0 HB3 ARG A 44 104.884 -6.162 28.683 1.00 2.09 H new ATOM 0 HG2 ARG A 44 103.093 -4.918 29.937 1.00 2.62 H new ATOM 0 HG3 ARG A 44 102.254 -4.612 28.429 1.00 2.62 H new ATOM 0 HD2 ARG A 44 101.955 -7.037 28.043 1.00 3.00 H new ATOM 0 HD3 ARG A 44 102.930 -7.418 29.449 1.00 3.00 H new ATOM 0 HE ARG A 44 100.895 -5.766 30.499 1.00 3.63 H new ATOM 0 HH11 ARG A 44 101.134 -8.654 28.545 1.00 4.51 H new ATOM 0 HH12 ARG A 44 99.609 -9.328 29.130 1.00 4.51 H new ATOM 0 HH21 ARG A 44 98.943 -6.625 31.246 1.00 4.63 H new ATOM 0 HH22 ARG A 44 98.379 -8.188 30.646 1.00 4.63 H new ATOM 640 N GLU A 45 105.991 -2.515 29.600 1.00 1.87 N ATOM 641 CA GLU A 45 106.599 -2.103 30.899 1.00 1.94 C ATOM 642 C GLU A 45 106.471 -0.587 31.067 1.00 1.84 C ATOM 643 O GLU A 45 105.990 -0.104 32.073 1.00 1.87 O ATOM 644 CB GLU A 45 108.079 -2.493 30.914 1.00 2.09 C ATOM 645 CG GLU A 45 108.618 -2.402 32.344 1.00 2.37 C ATOM 646 CD GLU A 45 108.089 -3.579 33.166 1.00 2.40 C ATOM 647 OE1 GLU A 45 108.348 -4.708 32.782 1.00 2.73 O ATOM 648 OE2 GLU A 45 107.435 -3.331 34.166 1.00 2.89 O ATOM 0 H GLU A 45 105.982 -1.794 28.879 1.00 1.87 H new ATOM 0 HA GLU A 45 106.081 -2.604 31.717 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.203 -3.506 30.531 1.00 2.09 H new ATOM 0 HB3 GLU A 45 108.646 -1.833 30.258 1.00 2.09 H new ATOM 0 HG2 GLU A 45 109.708 -2.412 32.334 1.00 2.37 H new ATOM 0 HG3 GLU A 45 108.312 -1.460 32.800 1.00 2.37 H new ATOM 655 N ALA A 46 106.892 0.168 30.089 1.00 1.74 N ATOM 656 CA ALA A 46 106.787 1.650 30.198 1.00 1.71 C ATOM 657 C ALA A 46 105.327 2.027 30.448 1.00 1.64 C ATOM 658 O ALA A 46 105.016 2.774 31.355 1.00 1.71 O ATOM 659 CB ALA A 46 107.273 2.296 28.896 1.00 1.66 C ATOM 0 H ALA A 46 107.303 -0.177 29.221 1.00 1.74 H new ATOM 0 HA ALA A 46 107.404 2.005 31.023 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.196 3.380 28.977 1.00 1.66 H new ATOM 0 HB2 ALA A 46 108.312 2.019 28.718 1.00 1.66 H new ATOM 0 HB3 ALA A 46 106.657 1.949 28.066 1.00 1.66 H new ATOM 665 N GLY A 47 104.431 1.506 29.648 1.00 1.60 N ATOM 666 CA GLY A 47 102.975 1.811 29.817 1.00 1.58 C ATOM 667 C GLY A 47 102.460 2.556 28.586 1.00 1.42 C ATOM 668 O GLY A 47 103.076 2.546 27.539 1.00 1.37 O ATOM 0 H GLY A 47 104.648 0.875 28.876 1.00 1.60 H new ATOM 0 HA2 GLY A 47 102.414 0.887 29.956 1.00 1.58 H new ATOM 0 HA3 GLY A 47 102.821 2.415 30.711 1.00 1.58 H new ATOM 672 N ALA A 48 101.332 3.201 28.702 1.00 1.40 N ATOM 673 CA ALA A 48 100.775 3.944 27.537 1.00 1.27 C ATOM 674 C ALA A 48 101.834 4.902 26.993 1.00 1.21 C ATOM 675 O ALA A 48 102.697 5.363 27.713 1.00 1.37 O ATOM 676 CB ALA A 48 99.546 4.741 27.980 1.00 1.32 C ATOM 0 H ALA A 48 100.772 3.246 29.553 1.00 1.40 H new ATOM 0 HA ALA A 48 100.488 3.238 26.758 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.138 5.285 27.128 1.00 1.32 H new ATOM 0 HB2 ALA A 48 98.791 4.058 28.370 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.832 5.448 28.758 1.00 1.32 H new ATOM 682 N GLY A 49 101.777 5.205 25.725 1.00 1.04 N ATOM 683 CA GLY A 49 102.783 6.133 25.137 1.00 1.02 C ATOM 684 C GLY A 49 102.445 6.390 23.668 1.00 0.87 C ATOM 685 O GLY A 49 101.342 6.141 23.222 1.00 0.71 O ATOM 0 H GLY A 49 101.078 4.851 25.072 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.792 7.073 25.689 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.782 5.704 25.222 1.00 1.02 H new ATOM 689 N GLY A 50 103.389 6.889 22.911 1.00 0.98 N ATOM 690 CA GLY A 50 103.135 7.171 21.464 1.00 0.86 C ATOM 691 C GLY A 50 104.367 6.788 20.645 1.00 0.86 C ATOM 692 O GLY A 50 105.444 7.317 20.839 1.00 1.06 O ATOM 0 H GLY A 50 104.330 7.115 23.234 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.267 6.608 21.120 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.906 8.227 21.323 1.00 0.86 H new ATOM 696 N LEU A 51 104.215 5.872 19.725 1.00 0.74 N ATOM 697 CA LEU A 51 105.369 5.446 18.876 1.00 0.75 C ATOM 698 C LEU A 51 105.279 6.163 17.534 1.00 0.68 C ATOM 699 O LEU A 51 104.547 5.747 16.669 1.00 0.60 O ATOM 700 CB LEU A 51 105.293 3.930 18.650 1.00 0.74 C ATOM 701 CG LEU A 51 106.570 3.427 17.942 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.693 3.200 18.962 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.272 2.104 17.230 1.00 0.77 C ATOM 0 H LEU A 51 103.335 5.397 19.523 1.00 0.74 H new ATOM 0 HA LEU A 51 106.310 5.694 19.367 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.174 3.419 19.605 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.417 3.689 18.048 1.00 0.74 H new ATOM 0 HG LEU A 51 106.887 4.179 17.220 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.586 2.846 18.447 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.916 4.137 19.472 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.376 2.456 19.693 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.173 1.749 16.730 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.946 1.363 17.960 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.484 2.257 16.492 1.00 0.77 H new ATOM 715 N SER A 52 106.022 7.230 17.359 1.00 0.75 N ATOM 716 CA SER A 52 105.988 7.983 16.067 1.00 0.71 C ATOM 717 C SER A 52 106.954 7.320 15.087 1.00 0.70 C ATOM 718 O SER A 52 108.005 6.873 15.487 1.00 0.78 O ATOM 719 CB SER A 52 106.427 9.428 16.314 1.00 0.82 C ATOM 720 OG SER A 52 105.798 9.914 17.493 1.00 1.56 O ATOM 0 H SER A 52 106.655 7.613 18.061 1.00 0.75 H new ATOM 0 HA SER A 52 104.978 7.976 15.656 1.00 0.71 H new ATOM 0 HB2 SER A 52 107.511 9.478 16.419 1.00 0.82 H new ATOM 0 HB3 SER A 52 106.160 10.052 15.461 1.00 0.82 H new ATOM 0 HG SER A 52 106.078 10.839 17.656 1.00 1.56 H new ATOM 726 N ILE A 53 106.623 7.243 13.808 1.00 0.61 N ATOM 727 CA ILE A 53 107.559 6.594 12.835 1.00 0.61 C ATOM 728 C ILE A 53 107.725 7.483 11.600 1.00 0.57 C ATOM 729 O ILE A 53 106.787 7.723 10.865 1.00 0.65 O ATOM 730 CB ILE A 53 106.991 5.241 12.403 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.809 4.347 13.634 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.954 4.571 11.419 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.993 3.110 13.253 1.00 0.64 C ATOM 0 H ILE A 53 105.755 7.599 13.407 1.00 0.61 H new ATOM 0 HA ILE A 53 108.528 6.453 13.315 1.00 0.61 H new ATOM 0 HB ILE A 53 106.026 5.390 11.918 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.781 4.048 14.026 1.00 0.64 H new ATOM 0 HG13 ILE A 53 106.303 4.899 14.426 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.548 3.607 11.112 1.00 0.63 H new ATOM 0 HG22 ILE A 53 108.080 5.207 10.543 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.920 4.421 11.901 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.864 2.475 14.129 1.00 0.64 H new ATOM 0 HD12 ILE A 53 105.016 3.419 12.882 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.517 2.554 12.476 1.00 0.64 H new ATOM 745 N ALA A 54 108.921 7.961 11.363 1.00 0.60 N ATOM 746 CA ALA A 54 109.182 8.827 10.171 1.00 0.57 C ATOM 747 C ALA A 54 109.975 8.016 9.144 1.00 0.54 C ATOM 748 O ALA A 54 111.145 7.742 9.330 1.00 0.63 O ATOM 749 CB ALA A 54 110.002 10.046 10.600 1.00 0.69 C ATOM 0 H ALA A 54 109.736 7.787 11.950 1.00 0.60 H new ATOM 0 HA ALA A 54 108.240 9.161 9.736 1.00 0.57 H new ATOM 0 HB1 ALA A 54 110.194 10.679 9.733 1.00 0.69 H new ATOM 0 HB2 ALA A 54 109.447 10.613 11.348 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.950 9.716 11.025 1.00 0.69 H new ATOM 755 N VAL A 55 109.342 7.614 8.068 1.00 0.45 N ATOM 756 CA VAL A 55 110.042 6.801 7.025 1.00 0.47 C ATOM 757 C VAL A 55 110.322 7.665 5.789 1.00 0.41 C ATOM 758 O VAL A 55 109.476 8.413 5.336 1.00 0.39 O ATOM 759 CB VAL A 55 109.138 5.615 6.623 1.00 0.47 C ATOM 760 CG1 VAL A 55 109.421 4.401 7.518 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.665 6.016 6.775 1.00 0.79 C ATOM 0 H VAL A 55 108.363 7.816 7.867 1.00 0.45 H new ATOM 0 HA VAL A 55 110.987 6.433 7.425 1.00 0.47 H new ATOM 0 HB VAL A 55 109.347 5.353 5.586 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.776 3.573 7.223 1.00 0.91 H new ATOM 0 HG12 VAL A 55 110.464 4.105 7.410 1.00 0.91 H new ATOM 0 HG13 VAL A 55 109.223 4.662 8.558 1.00 0.91 H new ATOM 0 HG21 VAL A 55 107.029 5.178 6.491 1.00 0.79 H new ATOM 0 HG22 VAL A 55 107.467 6.287 7.812 1.00 0.79 H new ATOM 0 HG23 VAL A 55 107.452 6.869 6.130 1.00 0.79 H new ATOM 771 N GLU A 56 111.501 7.538 5.222 1.00 0.44 N ATOM 772 CA GLU A 56 111.846 8.314 3.992 1.00 0.40 C ATOM 773 C GLU A 56 112.454 7.344 2.980 1.00 0.43 C ATOM 774 O GLU A 56 113.178 6.433 3.330 1.00 0.52 O ATOM 775 CB GLU A 56 112.841 9.436 4.340 1.00 0.47 C ATOM 776 CG GLU A 56 113.280 10.191 3.068 1.00 0.49 C ATOM 777 CD GLU A 56 112.169 11.143 2.616 1.00 1.08 C ATOM 778 OE1 GLU A 56 111.307 11.448 3.424 1.00 1.80 O ATOM 779 OE2 GLU A 56 112.202 11.553 1.469 1.00 1.71 O ATOM 0 H GLU A 56 112.241 6.925 5.563 1.00 0.44 H new ATOM 0 HA GLU A 56 110.956 8.779 3.569 1.00 0.40 H new ATOM 0 HB2 GLU A 56 112.381 10.132 5.041 1.00 0.47 H new ATOM 0 HB3 GLU A 56 113.714 9.013 4.837 1.00 0.47 H new ATOM 0 HG2 GLU A 56 114.194 10.752 3.265 1.00 0.49 H new ATOM 0 HG3 GLU A 56 113.507 9.480 2.273 1.00 0.49 H new ATOM 786 N GLY A 57 112.156 7.533 1.726 1.00 0.41 N ATOM 787 CA GLY A 57 112.701 6.627 0.679 1.00 0.49 C ATOM 788 C GLY A 57 112.049 6.976 -0.664 1.00 0.45 C ATOM 789 O GLY A 57 111.242 7.878 -0.725 1.00 0.44 O ATOM 0 H GLY A 57 111.555 8.281 1.380 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.784 6.735 0.612 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.500 5.587 0.937 1.00 0.49 H new ATOM 793 N PRO A 58 112.413 6.259 -1.704 1.00 0.50 N ATOM 794 CA PRO A 58 111.850 6.501 -3.049 1.00 0.52 C ATOM 795 C PRO A 58 110.347 6.233 -3.062 1.00 0.54 C ATOM 796 O PRO A 58 109.627 6.719 -3.912 1.00 0.56 O ATOM 797 CB PRO A 58 112.590 5.514 -3.971 1.00 0.63 C ATOM 798 CG PRO A 58 113.584 4.698 -3.092 1.00 0.66 C ATOM 799 CD PRO A 58 113.410 5.170 -1.633 1.00 0.60 C ATOM 0 HA PRO A 58 111.980 7.535 -3.368 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.882 4.849 -4.466 1.00 0.63 H new ATOM 0 HB3 PRO A 58 113.125 6.050 -4.755 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.382 3.630 -3.176 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.609 4.856 -3.426 1.00 0.66 H new ATOM 0 HD2 PRO A 58 113.064 4.358 -0.993 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.353 5.524 -1.217 1.00 0.60 H new ATOM 807 N SER A 59 109.873 5.460 -2.135 1.00 0.56 N ATOM 808 CA SER A 59 108.408 5.149 -2.095 1.00 0.60 C ATOM 809 C SER A 59 107.927 5.070 -0.647 1.00 0.55 C ATOM 810 O SER A 59 108.710 4.986 0.276 1.00 0.55 O ATOM 811 CB SER A 59 108.159 3.812 -2.787 1.00 0.71 C ATOM 812 OG SER A 59 108.320 3.976 -4.190 1.00 1.55 O ATOM 0 H SER A 59 110.429 5.025 -1.399 1.00 0.56 H new ATOM 0 HA SER A 59 107.860 5.939 -2.608 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.855 3.061 -2.414 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.154 3.454 -2.563 1.00 0.71 H new ATOM 0 HG SER A 59 107.585 3.527 -4.658 1.00 1.55 H new ATOM 818 N LYS A 60 106.636 5.097 -0.447 1.00 0.59 N ATOM 819 CA LYS A 60 106.086 5.024 0.937 1.00 0.57 C ATOM 820 C LYS A 60 105.925 3.558 1.343 1.00 0.63 C ATOM 821 O LYS A 60 105.022 2.877 0.901 1.00 0.73 O ATOM 822 CB LYS A 60 104.723 5.721 0.979 1.00 0.63 C ATOM 823 CG LYS A 60 104.790 7.020 0.172 1.00 1.23 C ATOM 824 CD LYS A 60 103.473 7.785 0.324 1.00 1.29 C ATOM 825 CE LYS A 60 103.602 9.163 -0.331 1.00 1.87 C ATOM 826 NZ LYS A 60 104.048 9.003 -1.744 1.00 2.53 N ATOM 0 H LYS A 60 105.937 5.167 -1.186 1.00 0.59 H new ATOM 0 HA LYS A 60 106.768 5.519 1.629 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.954 5.065 0.570 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.443 5.935 2.011 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.621 7.634 0.519 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.975 6.798 -0.879 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.660 7.226 -0.139 1.00 1.29 H new ATOM 0 HD3 LYS A 60 103.224 7.895 1.379 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.645 9.684 -0.297 1.00 1.87 H new ATOM 0 HE3 LYS A 60 104.317 9.774 0.220 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 103.957 9.912 -2.242 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 105.042 8.696 -1.762 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 103.457 8.289 -2.216 1.00 2.53 H new ATOM 840 N ALA A 61 106.795 3.069 2.181 1.00 0.66 N ATOM 841 CA ALA A 61 106.694 1.649 2.615 1.00 0.76 C ATOM 842 C ALA A 61 105.430 1.460 3.458 1.00 0.77 C ATOM 843 O ALA A 61 105.319 1.981 4.550 1.00 0.78 O ATOM 844 CB ALA A 61 107.921 1.288 3.452 1.00 0.82 C ATOM 0 H ALA A 61 107.572 3.592 2.584 1.00 0.66 H new ATOM 0 HA ALA A 61 106.645 1.003 1.738 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.850 0.248 3.772 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.822 1.423 2.854 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.967 1.935 4.328 1.00 0.82 H new ATOM 850 N GLU A 62 104.479 0.717 2.962 1.00 0.88 N ATOM 851 CA GLU A 62 103.228 0.495 3.739 1.00 0.93 C ATOM 852 C GLU A 62 103.586 -0.032 5.131 1.00 0.96 C ATOM 853 O GLU A 62 104.720 -0.346 5.405 1.00 1.43 O ATOM 854 CB GLU A 62 102.352 -0.525 3.010 1.00 1.11 C ATOM 855 CG GLU A 62 102.103 -0.050 1.577 1.00 1.50 C ATOM 856 CD GLU A 62 101.247 1.218 1.601 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.059 1.102 1.857 1.00 2.30 O ATOM 858 OE2 GLU A 62 101.793 2.282 1.363 1.00 2.14 O ATOM 0 H GLU A 62 104.514 0.255 2.053 1.00 0.88 H new ATOM 0 HA GLU A 62 102.682 1.434 3.836 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.840 -1.500 3.002 1.00 1.11 H new ATOM 0 HB3 GLU A 62 101.404 -0.647 3.534 1.00 1.11 H new ATOM 0 HG2 GLU A 62 103.052 0.148 1.078 1.00 1.50 H new ATOM 0 HG3 GLU A 62 101.600 -0.830 1.006 1.00 1.50 H new ATOM 865 N ILE A 63 102.623 -0.129 6.011 1.00 0.97 N ATOM 866 CA ILE A 63 102.891 -0.635 7.396 1.00 0.94 C ATOM 867 C ILE A 63 101.698 -1.493 7.829 1.00 1.01 C ATOM 868 O ILE A 63 100.604 -1.326 7.328 1.00 1.06 O ATOM 869 CB ILE A 63 103.049 0.551 8.361 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.328 1.334 8.013 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.142 0.025 9.798 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.417 2.608 8.860 1.00 1.40 C ATOM 0 H ILE A 63 101.651 0.123 5.830 1.00 0.97 H new ATOM 0 HA ILE A 63 103.808 -1.224 7.411 1.00 0.94 H new ATOM 0 HB ILE A 63 102.188 1.213 8.270 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.204 0.710 8.189 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.328 1.592 6.954 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.254 0.863 10.486 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.234 -0.526 10.043 1.00 1.28 H new ATOM 0 HG23 ILE A 63 104.004 -0.636 9.888 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.326 3.152 8.604 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.549 3.237 8.663 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.439 2.342 9.917 1.00 1.40 H new ATOM 884 N ALA A 64 101.880 -2.414 8.749 1.00 1.04 N ATOM 885 CA ALA A 64 100.724 -3.259 9.175 1.00 1.13 C ATOM 886 C ALA A 64 100.898 -3.668 10.640 1.00 1.14 C ATOM 887 O ALA A 64 101.903 -3.386 11.254 1.00 1.36 O ATOM 888 CB ALA A 64 100.644 -4.509 8.282 1.00 1.26 C ATOM 0 H ALA A 64 102.765 -2.613 9.215 1.00 1.04 H new ATOM 0 HA ALA A 64 99.800 -2.690 9.074 1.00 1.13 H new ATOM 0 HB1 ALA A 64 99.800 -5.125 8.593 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.509 -4.206 7.244 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.566 -5.083 8.375 1.00 1.26 H new ATOM 894 N PHE A 65 99.921 -4.337 11.199 1.00 1.16 N ATOM 895 CA PHE A 65 100.012 -4.778 12.626 1.00 1.16 C ATOM 896 C PHE A 65 99.457 -6.198 12.748 1.00 1.28 C ATOM 897 O PHE A 65 98.337 -6.471 12.360 1.00 1.35 O ATOM 898 CB PHE A 65 99.188 -3.833 13.504 1.00 1.11 C ATOM 899 CG PHE A 65 97.739 -3.887 13.083 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.274 -3.049 12.061 1.00 1.23 C ATOM 901 CD2 PHE A 65 96.859 -4.775 13.715 1.00 1.30 C ATOM 902 CE1 PHE A 65 95.929 -3.100 11.672 1.00 1.37 C ATOM 903 CE2 PHE A 65 95.515 -4.825 13.325 1.00 1.43 C ATOM 904 CZ PHE A 65 95.050 -3.987 12.304 1.00 1.47 C ATOM 0 H PHE A 65 99.057 -4.599 10.724 1.00 1.16 H new ATOM 0 HA PHE A 65 101.052 -4.760 12.951 1.00 1.16 H new ATOM 0 HB2 PHE A 65 99.284 -4.117 14.552 1.00 1.11 H new ATOM 0 HB3 PHE A 65 99.566 -2.815 13.414 1.00 1.11 H new ATOM 0 HD1 PHE A 65 97.952 -2.364 11.573 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.217 -5.421 14.503 1.00 1.30 H new ATOM 0 HE1 PHE A 65 95.570 -2.454 10.884 1.00 1.37 H new ATOM 0 HE2 PHE A 65 94.837 -5.510 13.812 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.013 -4.025 12.004 1.00 1.47 H new ATOM 914 N GLU A 66 100.232 -7.108 13.281 1.00 1.35 N ATOM 915 CA GLU A 66 99.756 -8.518 13.428 1.00 1.50 C ATOM 916 C GLU A 66 100.250 -9.090 14.759 1.00 1.54 C ATOM 917 O GLU A 66 101.433 -9.111 15.035 1.00 1.61 O ATOM 918 CB GLU A 66 100.310 -9.360 12.277 1.00 1.62 C ATOM 919 CG GLU A 66 99.819 -10.802 12.412 1.00 1.80 C ATOM 920 CD GLU A 66 100.212 -11.592 11.163 1.00 1.94 C ATOM 921 OE1 GLU A 66 99.660 -11.314 10.111 1.00 2.51 O ATOM 922 OE2 GLU A 66 101.060 -12.462 11.279 1.00 2.01 O ATOM 0 H GLU A 66 101.178 -6.935 13.622 1.00 1.35 H new ATOM 0 HA GLU A 66 98.666 -8.538 13.407 1.00 1.50 H new ATOM 0 HB2 GLU A 66 99.989 -8.944 11.322 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.400 -9.334 12.286 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.253 -11.264 13.299 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.737 -10.819 12.541 1.00 1.80 H new ATOM 1006 N SER A 72 103.584 -10.122 21.006 1.00 1.78 N ATOM 1007 CA SER A 72 104.617 -9.771 19.985 1.00 1.72 C ATOM 1008 C SER A 72 103.973 -8.915 18.892 1.00 1.60 C ATOM 1009 O SER A 72 103.311 -9.417 18.006 1.00 1.64 O ATOM 1010 CB SER A 72 105.171 -11.054 19.364 1.00 1.82 C ATOM 1011 OG SER A 72 106.098 -10.718 18.340 1.00 2.20 O ATOM 0 HA SER A 72 105.427 -9.215 20.457 1.00 1.72 H new ATOM 0 HB2 SER A 72 105.659 -11.660 20.127 1.00 1.82 H new ATOM 0 HB3 SER A 72 104.358 -11.653 18.953 1.00 1.82 H new ATOM 0 HG SER A 72 106.456 -11.538 17.941 1.00 2.20 H new ATOM 1017 N CYS A 73 104.161 -7.625 18.948 1.00 1.50 N ATOM 1018 CA CYS A 73 103.559 -6.738 17.914 1.00 1.40 C ATOM 1019 C CYS A 73 104.295 -6.929 16.587 1.00 1.37 C ATOM 1020 O CYS A 73 105.443 -6.559 16.443 1.00 1.39 O ATOM 1021 CB CYS A 73 103.681 -5.280 18.359 1.00 1.31 C ATOM 1022 SG CYS A 73 102.816 -4.216 17.178 1.00 2.05 S ATOM 0 H CYS A 73 104.706 -7.147 19.666 1.00 1.50 H new ATOM 0 HA CYS A 73 102.507 -6.992 17.786 1.00 1.40 H new ATOM 0 HB2 CYS A 73 103.257 -5.156 19.355 1.00 1.31 H new ATOM 0 HB3 CYS A 73 104.731 -4.994 18.422 1.00 1.31 H new ATOM 0 HG CYS A 73 102.917 -2.976 17.556 1.00 2.05 H new ATOM 1028 N GLY A 74 103.641 -7.508 15.615 1.00 1.39 N ATOM 1029 CA GLY A 74 104.295 -7.729 14.291 1.00 1.38 C ATOM 1030 C GLY A 74 104.008 -6.544 13.371 1.00 1.28 C ATOM 1031 O GLY A 74 102.880 -6.294 12.993 1.00 1.26 O ATOM 0 H GLY A 74 102.678 -7.839 15.681 1.00 1.39 H new ATOM 0 HA2 GLY A 74 105.371 -7.849 14.421 1.00 1.38 H new ATOM 0 HA3 GLY A 74 103.924 -8.650 13.841 1.00 1.38 H new ATOM 1035 N VAL A 75 105.026 -5.817 13.003 1.00 1.25 N ATOM 1036 CA VAL A 75 104.836 -4.640 12.097 1.00 1.16 C ATOM 1037 C VAL A 75 105.195 -5.047 10.672 1.00 1.20 C ATOM 1038 O VAL A 75 106.353 -5.138 10.314 1.00 1.25 O ATOM 1039 CB VAL A 75 105.749 -3.502 12.553 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.496 -2.265 11.691 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.452 -3.170 14.017 1.00 1.57 C ATOM 0 H VAL A 75 105.990 -5.986 13.291 1.00 1.25 H new ATOM 0 HA VAL A 75 103.799 -4.307 12.131 1.00 1.16 H new ATOM 0 HB VAL A 75 106.790 -3.808 12.450 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.148 -1.455 12.017 1.00 1.31 H new ATOM 0 HG12 VAL A 75 105.704 -2.500 10.647 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.455 -1.957 11.793 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.102 -2.359 14.345 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.411 -2.864 14.117 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.632 -4.051 14.634 1.00 1.57 H new ATOM 1051 N SER A 76 104.208 -5.298 9.852 1.00 1.22 N ATOM 1052 CA SER A 76 104.489 -5.705 8.444 1.00 1.29 C ATOM 1053 C SER A 76 104.517 -4.459 7.559 1.00 1.19 C ATOM 1054 O SER A 76 103.692 -3.578 7.682 1.00 1.20 O ATOM 1055 CB SER A 76 103.402 -6.692 7.964 1.00 1.40 C ATOM 1056 OG SER A 76 102.653 -7.138 9.086 1.00 1.85 O ATOM 0 H SER A 76 103.220 -5.239 10.097 1.00 1.22 H new ATOM 0 HA SER A 76 105.457 -6.202 8.384 1.00 1.29 H new ATOM 0 HB2 SER A 76 102.745 -6.207 7.242 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.861 -7.540 7.457 1.00 1.40 H new ATOM 0 HG SER A 76 101.960 -7.764 8.789 1.00 1.85 H new ATOM 1062 N TYR A 77 105.468 -4.384 6.669 1.00 1.21 N ATOM 1063 CA TYR A 77 105.576 -3.203 5.763 1.00 1.12 C ATOM 1064 C TYR A 77 105.867 -3.697 4.349 1.00 1.20 C ATOM 1065 O TYR A 77 106.216 -4.843 4.145 1.00 1.43 O ATOM 1066 CB TYR A 77 106.721 -2.297 6.242 1.00 1.07 C ATOM 1067 CG TYR A 77 108.049 -3.002 6.067 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.358 -4.114 6.854 1.00 1.33 C ATOM 1069 CD2 TYR A 77 108.972 -2.540 5.119 1.00 1.18 C ATOM 1070 CE1 TYR A 77 109.585 -4.764 6.695 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.200 -3.190 4.960 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.507 -4.304 5.748 1.00 1.39 C ATOM 1073 OH TYR A 77 111.718 -4.946 5.593 1.00 1.54 O ATOM 0 H TYR A 77 106.183 -5.098 6.529 1.00 1.21 H new ATOM 0 HA TYR A 77 104.645 -2.636 5.772 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.718 -1.365 5.677 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.574 -2.036 7.290 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.649 -4.472 7.586 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.734 -1.680 4.510 1.00 1.18 H new ATOM 0 HE1 TYR A 77 109.822 -5.623 7.304 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.910 -2.832 4.230 1.00 1.28 H new ATOM 0 HH TYR A 77 112.265 -4.811 6.395 1.00 1.54 H new ATOM 1083 N VAL A 78 105.722 -2.847 3.369 1.00 1.13 N ATOM 1084 CA VAL A 78 105.985 -3.273 1.959 1.00 1.21 C ATOM 1085 C VAL A 78 106.666 -2.133 1.197 1.00 1.14 C ATOM 1086 O VAL A 78 106.067 -1.116 0.908 1.00 1.11 O ATOM 1087 CB VAL A 78 104.657 -3.620 1.288 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.916 -4.370 -0.020 1.00 1.81 C ATOM 1089 CG2 VAL A 78 103.817 -4.493 2.226 1.00 1.90 C ATOM 0 H VAL A 78 105.433 -1.875 3.481 1.00 1.13 H new ATOM 0 HA VAL A 78 106.638 -4.146 1.953 1.00 1.21 H new ATOM 0 HB VAL A 78 104.115 -2.699 1.071 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.965 -4.615 -0.494 1.00 1.81 H new ATOM 0 HG12 VAL A 78 105.504 -3.742 -0.689 1.00 1.81 H new ATOM 0 HG13 VAL A 78 105.464 -5.289 0.190 1.00 1.81 H new ATOM 0 HG21 VAL A 78 102.871 -4.739 1.744 1.00 1.90 H new ATOM 0 HG22 VAL A 78 104.359 -5.412 2.451 1.00 1.90 H new ATOM 0 HG23 VAL A 78 103.623 -3.951 3.151 1.00 1.90 H new ATOM 1099 N VAL A 79 107.918 -2.303 0.873 1.00 1.17 N ATOM 1100 CA VAL A 79 108.663 -1.244 0.131 1.00 1.11 C ATOM 1101 C VAL A 79 108.406 -1.397 -1.368 1.00 1.15 C ATOM 1102 O VAL A 79 108.092 -2.469 -1.846 1.00 1.24 O ATOM 1103 CB VAL A 79 110.159 -1.400 0.423 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.474 -0.827 1.821 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.524 -2.890 0.378 1.00 1.27 C ATOM 0 H VAL A 79 108.463 -3.137 1.092 1.00 1.17 H new ATOM 0 HA VAL A 79 108.328 -0.256 0.448 1.00 1.11 H new ATOM 0 HB VAL A 79 110.740 -0.858 -0.323 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.538 -0.938 2.028 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.207 0.229 1.850 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.899 -1.367 2.574 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.587 -3.011 0.585 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.945 -3.429 1.128 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.299 -3.290 -0.611 1.00 1.27 H new ATOM 1115 N GLN A 80 108.521 -0.331 -2.118 1.00 1.10 N ATOM 1116 CA GLN A 80 108.259 -0.417 -3.584 1.00 1.15 C ATOM 1117 C GLN A 80 109.554 -0.678 -4.359 1.00 1.17 C ATOM 1118 O GLN A 80 109.594 -1.540 -5.215 1.00 1.25 O ATOM 1119 CB GLN A 80 107.638 0.901 -4.066 1.00 1.11 C ATOM 1120 CG GLN A 80 106.917 0.679 -5.400 1.00 1.18 C ATOM 1121 CD GLN A 80 105.599 -0.058 -5.154 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.505 -1.248 -5.377 1.00 2.47 O ATOM 1123 NE2 GLN A 80 104.569 0.604 -4.701 1.00 2.48 N ATOM 0 H GLN A 80 108.785 0.594 -1.778 1.00 1.10 H new ATOM 0 HA GLN A 80 107.574 -1.246 -3.765 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.936 1.277 -3.321 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.414 1.658 -4.183 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.725 1.636 -5.885 1.00 1.18 H new ATOM 0 HG3 GLN A 80 107.548 0.101 -6.075 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.647 1.604 -4.514 1.00 2.48 H new ATOM 0 HE22 GLN A 80 103.686 0.122 -4.535 1.00 2.48 H new ATOM 1132 N GLU A 81 110.611 0.067 -4.105 1.00 1.11 N ATOM 1133 CA GLU A 81 111.875 -0.161 -4.888 1.00 1.13 C ATOM 1134 C GLU A 81 113.134 0.154 -4.043 1.00 1.07 C ATOM 1135 O GLU A 81 113.092 1.019 -3.191 1.00 0.98 O ATOM 1136 CB GLU A 81 111.875 0.766 -6.116 1.00 1.11 C ATOM 1137 CG GLU A 81 110.770 0.371 -7.105 1.00 1.43 C ATOM 1138 CD GLU A 81 110.967 -1.073 -7.576 1.00 1.37 C ATOM 1139 OE1 GLU A 81 112.104 -1.448 -7.813 1.00 1.92 O ATOM 1140 OE2 GLU A 81 109.979 -1.778 -7.691 1.00 1.65 O ATOM 0 H GLU A 81 110.654 0.808 -3.405 1.00 1.11 H new ATOM 0 HA GLU A 81 111.905 -1.210 -5.182 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.730 1.798 -5.797 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.845 0.719 -6.611 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.794 0.476 -6.631 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.782 1.045 -7.962 1.00 1.43 H new ATOM 1147 N PRO A 82 114.235 -0.541 -4.327 1.00 1.14 N ATOM 1148 CA PRO A 82 115.523 -0.332 -3.635 1.00 1.14 C ATOM 1149 C PRO A 82 115.810 1.121 -3.301 1.00 1.00 C ATOM 1150 O PRO A 82 115.153 2.040 -3.751 1.00 0.91 O ATOM 1151 CB PRO A 82 116.554 -0.885 -4.619 1.00 1.23 C ATOM 1152 CG PRO A 82 115.812 -1.966 -5.416 1.00 1.30 C ATOM 1153 CD PRO A 82 114.314 -1.615 -5.348 1.00 1.26 C ATOM 0 HA PRO A 82 115.532 -0.826 -2.663 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.931 -0.101 -5.276 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.414 -1.303 -4.095 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.157 -1.991 -6.450 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.998 -2.954 -4.994 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.941 -1.274 -6.314 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.715 -2.480 -5.063 1.00 1.26 H new ATOM 1161 N GLY A 83 116.813 1.306 -2.493 1.00 0.99 N ATOM 1162 CA GLY A 83 117.222 2.673 -2.065 1.00 0.89 C ATOM 1163 C GLY A 83 117.638 2.621 -0.596 1.00 0.92 C ATOM 1164 O GLY A 83 117.695 1.566 0.003 1.00 1.02 O ATOM 0 H GLY A 83 117.379 0.553 -2.102 1.00 0.99 H new ATOM 0 HA2 GLY A 83 118.048 3.030 -2.680 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.398 3.374 -2.200 1.00 0.89 H new ATOM 1168 N ASP A 84 117.912 3.753 -0.007 1.00 0.87 N ATOM 1169 CA ASP A 84 118.309 3.789 1.431 1.00 0.93 C ATOM 1170 C ASP A 84 117.105 4.265 2.237 1.00 0.83 C ATOM 1171 O ASP A 84 116.911 5.445 2.444 1.00 0.76 O ATOM 1172 CB ASP A 84 119.483 4.760 1.619 1.00 0.98 C ATOM 1173 CG ASP A 84 120.475 4.589 0.466 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.053 4.701 -0.674 1.00 2.13 O ATOM 1175 OD2 ASP A 84 121.639 4.350 0.742 1.00 2.06 O ATOM 0 H ASP A 84 117.878 4.664 -0.465 1.00 0.87 H new ATOM 0 HA ASP A 84 118.621 2.800 1.767 1.00 0.93 H new ATOM 0 HB2 ASP A 84 119.118 5.787 1.650 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.979 4.569 2.571 1.00 0.98 H new ATOM 1180 N TYR A 85 116.289 3.356 2.683 1.00 0.84 N ATOM 1181 CA TYR A 85 115.095 3.755 3.465 1.00 0.76 C ATOM 1182 C TYR A 85 115.560 4.162 4.861 1.00 0.80 C ATOM 1183 O TYR A 85 116.355 3.490 5.480 1.00 0.92 O ATOM 1184 CB TYR A 85 114.122 2.562 3.525 1.00 0.80 C ATOM 1185 CG TYR A 85 113.033 2.713 2.487 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.873 3.434 2.789 1.00 0.64 C ATOM 1187 CD2 TYR A 85 113.187 2.128 1.225 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.866 3.572 1.828 1.00 0.61 C ATOM 1189 CE2 TYR A 85 112.181 2.264 0.264 1.00 0.75 C ATOM 1190 CZ TYR A 85 111.019 2.987 0.565 1.00 0.67 C ATOM 1191 OH TYR A 85 110.026 3.122 -0.383 1.00 0.68 O ATOM 0 H TYR A 85 116.399 2.352 2.539 1.00 0.84 H new ATOM 0 HA TYR A 85 114.577 4.596 3.004 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.666 1.633 3.357 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.679 2.496 4.519 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.755 3.884 3.764 1.00 0.64 H new ATOM 0 HD2 TYR A 85 114.083 1.571 0.994 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.971 4.130 2.060 1.00 0.61 H new ATOM 0 HE2 TYR A 85 112.299 1.812 -0.710 1.00 0.75 H new ATOM 0 HH TYR A 85 109.197 3.414 0.051 1.00 0.68 H new ATOM 1201 N GLU A 86 115.077 5.273 5.341 1.00 0.73 N ATOM 1202 CA GLU A 86 115.485 5.783 6.691 1.00 0.78 C ATOM 1203 C GLU A 86 114.265 5.750 7.611 1.00 0.74 C ATOM 1204 O GLU A 86 113.292 6.434 7.377 1.00 0.68 O ATOM 1205 CB GLU A 86 116.023 7.245 6.572 1.00 0.78 C ATOM 1206 CG GLU A 86 116.113 7.687 5.098 1.00 0.72 C ATOM 1207 CD GLU A 86 117.346 7.058 4.447 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.746 5.993 4.887 1.00 1.53 O ATOM 1209 OE2 GLU A 86 117.870 7.653 3.519 1.00 1.26 O ATOM 0 H GLU A 86 114.405 5.863 4.851 1.00 0.73 H new ATOM 0 HA GLU A 86 116.278 5.156 7.100 1.00 0.78 H new ATOM 0 HB2 GLU A 86 115.367 7.923 7.118 1.00 0.78 H new ATOM 0 HB3 GLU A 86 117.007 7.312 7.035 1.00 0.78 H new ATOM 0 HG2 GLU A 86 115.213 7.386 4.562 1.00 0.72 H new ATOM 0 HG3 GLU A 86 116.172 8.774 5.037 1.00 0.72 H new ATOM 1216 N VAL A 87 114.315 4.959 8.650 1.00 0.81 N ATOM 1217 CA VAL A 87 113.160 4.863 9.595 1.00 0.78 C ATOM 1218 C VAL A 87 113.565 5.401 10.966 1.00 0.86 C ATOM 1219 O VAL A 87 114.678 5.201 11.422 1.00 0.99 O ATOM 1220 CB VAL A 87 112.752 3.397 9.718 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.863 2.601 10.408 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.459 3.289 10.532 1.00 0.83 C ATOM 0 H VAL A 87 115.113 4.370 8.888 1.00 0.81 H new ATOM 0 HA VAL A 87 112.324 5.453 9.219 1.00 0.78 H new ATOM 0 HB VAL A 87 112.588 2.988 8.721 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.564 1.556 10.492 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.779 2.670 9.821 1.00 1.00 H new ATOM 0 HG13 VAL A 87 114.039 3.009 11.403 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.170 2.242 10.618 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.620 3.704 11.527 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.666 3.844 10.031 1.00 0.83 H new ATOM 1232 N SER A 88 112.661 6.083 11.626 1.00 0.81 N ATOM 1233 CA SER A 88 112.964 6.647 12.976 1.00 0.91 C ATOM 1234 C SER A 88 111.783 6.390 13.906 1.00 0.87 C ATOM 1235 O SER A 88 110.748 7.016 13.796 1.00 0.84 O ATOM 1236 CB SER A 88 113.209 8.152 12.862 1.00 0.94 C ATOM 1237 OG SER A 88 113.387 8.699 14.162 1.00 1.59 O ATOM 0 H SER A 88 111.719 6.274 11.284 1.00 0.81 H new ATOM 0 HA SER A 88 113.857 6.168 13.378 1.00 0.91 H new ATOM 0 HB2 SER A 88 114.091 8.343 12.251 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.366 8.633 12.365 1.00 0.94 H new ATOM 0 HG SER A 88 113.370 9.677 14.110 1.00 1.59 H new ATOM 1243 N ILE A 89 111.933 5.459 14.817 1.00 0.99 N ATOM 1244 CA ILE A 89 110.826 5.127 15.766 1.00 0.98 C ATOM 1245 C ILE A 89 111.201 5.562 17.188 1.00 1.08 C ATOM 1246 O ILE A 89 112.308 5.351 17.643 1.00 1.20 O ATOM 1247 CB ILE A 89 110.575 3.611 15.717 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.621 2.871 16.573 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.662 3.138 14.260 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.626 1.374 16.237 1.00 1.29 C ATOM 0 H ILE A 89 112.783 4.910 14.944 1.00 0.99 H new ATOM 0 HA ILE A 89 109.919 5.658 15.478 1.00 0.98 H new ATOM 0 HB ILE A 89 109.584 3.393 16.116 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.610 3.293 16.395 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.400 3.012 17.631 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.485 2.063 14.215 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.910 3.655 13.664 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.653 3.359 13.864 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.370 0.866 16.850 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.641 0.953 16.438 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.870 1.238 15.183 1.00 1.29 H new ATOM 1262 N LYS A 90 110.275 6.156 17.896 1.00 1.05 N ATOM 1263 CA LYS A 90 110.543 6.599 19.289 1.00 1.16 C ATOM 1264 C LYS A 90 109.321 6.284 20.140 1.00 1.11 C ATOM 1265 O LYS A 90 108.242 6.775 19.881 1.00 1.01 O ATOM 1266 CB LYS A 90 110.753 8.114 19.309 1.00 1.22 C ATOM 1267 CG LYS A 90 109.485 8.830 18.773 1.00 1.15 C ATOM 1268 CD LYS A 90 109.882 10.071 17.954 1.00 1.34 C ATOM 1269 CE LYS A 90 110.526 9.640 16.620 1.00 1.04 C ATOM 1270 NZ LYS A 90 112.010 9.704 16.745 1.00 1.58 N ATOM 0 H LYS A 90 109.333 6.354 17.559 1.00 1.05 H new ATOM 0 HA LYS A 90 111.428 6.091 19.671 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.967 8.447 20.325 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.616 8.378 18.698 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.907 8.145 18.152 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.845 9.124 19.605 1.00 1.15 H new ATOM 0 HD2 LYS A 90 109.003 10.686 17.761 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.581 10.684 18.523 1.00 1.34 H new ATOM 0 HE2 LYS A 90 110.215 8.627 16.363 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.189 10.291 15.813 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 112.426 9.937 15.821 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 112.269 10.437 17.436 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 112.371 8.783 17.065 1.00 1.58 H new ATOM 1284 N PHE A 91 109.469 5.503 21.171 1.00 1.21 N ATOM 1285 CA PHE A 91 108.288 5.214 22.029 1.00 1.18 C ATOM 1286 C PHE A 91 108.092 6.404 22.965 1.00 1.22 C ATOM 1287 O PHE A 91 108.769 6.544 23.961 1.00 1.34 O ATOM 1288 CB PHE A 91 108.512 3.928 22.834 1.00 1.29 C ATOM 1289 CG PHE A 91 107.228 3.555 23.543 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.106 3.178 22.796 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.157 3.590 24.944 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.915 2.836 23.444 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.962 3.245 25.592 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.842 2.869 24.841 1.00 1.24 C ATOM 0 H PHE A 91 110.342 5.058 21.454 1.00 1.21 H new ATOM 0 HA PHE A 91 107.400 5.066 21.414 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.824 3.120 22.172 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.313 4.073 23.559 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.160 3.151 21.718 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.021 3.882 25.522 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.050 2.546 22.865 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.906 3.269 26.670 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.921 2.604 25.340 1.00 1.24 H new ATOM 1304 N ASN A 92 107.188 7.279 22.628 1.00 1.15 N ATOM 1305 CA ASN A 92 106.953 8.484 23.471 1.00 1.23 C ATOM 1306 C ASN A 92 108.159 9.426 23.356 1.00 1.32 C ATOM 1307 O ASN A 92 108.555 10.051 24.317 1.00 1.42 O ATOM 1308 CB ASN A 92 106.743 8.067 24.939 1.00 1.32 C ATOM 1309 CG ASN A 92 105.906 9.126 25.665 1.00 1.74 C ATOM 1310 OD1 ASN A 92 106.385 9.782 26.569 1.00 2.32 O ATOM 1311 ND2 ASN A 92 104.667 9.322 25.304 1.00 2.24 N ATOM 0 H ASN A 92 106.597 7.211 21.799 1.00 1.15 H new ATOM 0 HA ASN A 92 106.058 9.001 23.125 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.241 7.100 24.984 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.707 7.949 25.435 1.00 1.32 H new ATOM 0 HD21 ASN A 92 104.102 10.025 25.780 1.00 2.24 H new ATOM 0 HD22 ASN A 92 104.264 8.772 24.545 1.00 2.24 H new ATOM 1318 N ASP A 93 108.734 9.534 22.179 1.00 1.28 N ATOM 1319 CA ASP A 93 109.907 10.441 21.970 1.00 1.37 C ATOM 1320 C ASP A 93 111.204 9.811 22.478 1.00 1.45 C ATOM 1321 O ASP A 93 112.212 10.483 22.573 1.00 1.53 O ATOM 1322 CB ASP A 93 109.693 11.788 22.668 1.00 1.46 C ATOM 1323 CG ASP A 93 108.220 12.189 22.583 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.718 12.300 21.477 1.00 1.83 O ATOM 1325 OD2 ASP A 93 107.617 12.379 23.627 1.00 1.92 O ATOM 0 H ASP A 93 108.436 9.026 21.346 1.00 1.28 H new ATOM 0 HA ASP A 93 109.993 10.602 20.895 1.00 1.37 H new ATOM 0 HB2 ASP A 93 110.001 11.720 23.711 1.00 1.46 H new ATOM 0 HB3 ASP A 93 110.315 12.552 22.201 1.00 1.46 H new ATOM 1330 N GLU A 94 111.219 8.529 22.763 1.00 1.43 N ATOM 1331 CA GLU A 94 112.501 7.893 23.213 1.00 1.53 C ATOM 1332 C GLU A 94 113.101 7.197 21.995 1.00 1.52 C ATOM 1333 O GLU A 94 112.698 6.116 21.614 1.00 1.48 O ATOM 1334 CB GLU A 94 112.256 6.900 24.364 1.00 1.56 C ATOM 1335 CG GLU A 94 111.388 5.709 23.908 1.00 1.95 C ATOM 1336 CD GLU A 94 112.263 4.491 23.580 1.00 1.88 C ATOM 1337 OE1 GLU A 94 113.437 4.684 23.312 1.00 2.25 O ATOM 1338 OE2 GLU A 94 111.741 3.389 23.603 1.00 2.24 O ATOM 0 H GLU A 94 110.415 7.905 22.705 1.00 1.43 H new ATOM 0 HA GLU A 94 113.189 8.644 23.602 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.211 6.533 24.739 1.00 1.56 H new ATOM 0 HB3 GLU A 94 111.765 7.414 25.191 1.00 1.56 H new ATOM 0 HG2 GLU A 94 110.676 5.451 24.692 1.00 1.95 H new ATOM 0 HG3 GLU A 94 110.807 5.992 23.030 1.00 1.95 H new ATOM 1345 N HIS A 95 114.028 7.850 21.350 1.00 1.59 N ATOM 1346 CA HIS A 95 114.639 7.281 20.119 1.00 1.59 C ATOM 1347 C HIS A 95 115.476 6.048 20.446 1.00 1.71 C ATOM 1348 O HIS A 95 116.602 6.147 20.892 1.00 1.86 O ATOM 1349 CB HIS A 95 115.527 8.339 19.463 1.00 1.65 C ATOM 1350 CG HIS A 95 114.716 9.577 19.198 1.00 1.94 C ATOM 1351 ND1 HIS A 95 114.028 10.239 20.204 1.00 2.24 N ATOM 1352 CD2 HIS A 95 114.470 10.285 18.048 1.00 2.62 C ATOM 1353 CE1 HIS A 95 113.407 11.293 19.645 1.00 2.68 C ATOM 1354 NE2 HIS A 95 113.643 11.368 18.332 1.00 2.88 N ATOM 0 H HIS A 95 114.391 8.762 21.627 1.00 1.59 H new ATOM 0 HA HIS A 95 113.841 6.985 19.438 1.00 1.59 H new ATOM 0 HB2 HIS A 95 116.370 8.575 20.112 1.00 1.65 H new ATOM 0 HB3 HIS A 95 115.940 7.955 18.530 1.00 1.65 H new ATOM 0 HD2 HIS A 95 114.859 10.039 17.071 1.00 2.62 H new ATOM 0 HE1 HIS A 95 112.792 11.993 20.191 1.00 2.68 H new ATOM 0 HE2 HIS A 95 113.293 12.068 17.678 1.00 2.88 H new ATOM 1362 N ILE A 96 114.944 4.886 20.194 1.00 1.67 N ATOM 1363 CA ILE A 96 115.717 3.638 20.451 1.00 1.82 C ATOM 1364 C ILE A 96 117.071 3.786 19.708 1.00 1.88 C ATOM 1365 O ILE A 96 117.081 4.272 18.594 1.00 1.77 O ATOM 1366 CB ILE A 96 114.899 2.448 19.899 1.00 1.82 C ATOM 1367 CG1 ILE A 96 115.683 1.126 20.054 1.00 1.98 C ATOM 1368 CG2 ILE A 96 114.568 2.711 18.425 1.00 2.35 C ATOM 1369 CD1 ILE A 96 115.002 0.003 19.265 1.00 2.27 C ATOM 0 H ILE A 96 114.005 4.745 19.820 1.00 1.67 H new ATOM 0 HA ILE A 96 115.901 3.467 21.512 1.00 1.82 H new ATOM 0 HB ILE A 96 113.974 2.352 20.467 1.00 1.82 H new ATOM 0 HG12 ILE A 96 116.705 1.259 19.700 1.00 1.98 H new ATOM 0 HG13 ILE A 96 115.743 0.853 21.108 1.00 1.98 H new ATOM 0 HG21 ILE A 96 113.991 1.876 18.027 1.00 2.35 H new ATOM 0 HG22 ILE A 96 113.985 3.628 18.341 1.00 2.35 H new ATOM 0 HG23 ILE A 96 115.493 2.816 17.858 1.00 2.35 H new ATOM 0 HD11 ILE A 96 115.568 -0.921 19.385 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.988 -0.141 19.638 1.00 2.27 H new ATOM 0 HD13 ILE A 96 114.965 0.271 18.209 1.00 2.27 H new ATOM 1381 N PRO A 97 118.183 3.400 20.322 1.00 2.08 N ATOM 1382 CA PRO A 97 119.502 3.547 19.674 1.00 2.18 C ATOM 1383 C PRO A 97 119.432 3.184 18.185 1.00 2.06 C ATOM 1384 O PRO A 97 120.037 3.835 17.356 1.00 2.32 O ATOM 1385 CB PRO A 97 120.431 2.611 20.471 1.00 2.43 C ATOM 1386 CG PRO A 97 119.699 2.281 21.804 1.00 2.48 C ATOM 1387 CD PRO A 97 118.242 2.787 21.668 1.00 2.25 C ATOM 0 HA PRO A 97 119.867 4.574 19.690 1.00 2.18 H new ATOM 0 HB2 PRO A 97 120.638 1.701 19.908 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.390 3.091 20.665 1.00 2.43 H new ATOM 0 HG2 PRO A 97 119.717 1.208 21.996 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.196 2.764 22.645 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.528 1.969 21.763 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.000 3.512 22.445 1.00 2.25 H new ATOM 1395 N ASP A 98 118.690 2.173 17.828 1.00 2.10 N ATOM 1396 CA ASP A 98 118.584 1.815 16.383 1.00 1.98 C ATOM 1397 C ASP A 98 118.247 3.062 15.586 1.00 1.76 C ATOM 1398 O ASP A 98 119.027 3.527 14.779 1.00 1.73 O ATOM 1399 CB ASP A 98 117.485 0.767 16.184 1.00 1.95 C ATOM 1400 CG ASP A 98 117.803 -0.473 17.020 1.00 2.28 C ATOM 1401 OD1 ASP A 98 117.397 -0.509 18.170 1.00 2.64 O ATOM 1402 OD2 ASP A 98 118.448 -1.367 16.497 1.00 2.65 O ATOM 0 H ASP A 98 118.156 1.583 18.466 1.00 2.10 H new ATOM 0 HA ASP A 98 119.533 1.403 16.041 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.519 1.178 16.477 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.411 0.499 15.130 1.00 1.95 H new ATOM 1407 N SER A 99 117.079 3.589 15.777 1.00 1.67 N ATOM 1408 CA SER A 99 116.675 4.785 15.000 1.00 1.48 C ATOM 1409 C SER A 99 117.684 5.928 15.225 1.00 1.62 C ATOM 1410 O SER A 99 118.128 6.116 16.340 1.00 1.87 O ATOM 1411 CB SER A 99 115.295 5.238 15.480 1.00 1.48 C ATOM 1412 OG SER A 99 115.220 5.078 16.888 1.00 2.00 O ATOM 0 H SER A 99 116.384 3.244 16.439 1.00 1.67 H new ATOM 0 HA SER A 99 116.648 4.536 13.939 1.00 1.48 H new ATOM 0 HB2 SER A 99 115.126 6.280 15.210 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.516 4.652 14.992 1.00 1.48 H new ATOM 0 HG SER A 99 116.125 5.030 17.260 1.00 2.00 H new ATOM 1418 N PRO A 100 117.996 6.704 14.195 1.00 1.55 N ATOM 1419 CA PRO A 100 117.496 6.541 12.801 1.00 1.33 C ATOM 1420 C PRO A 100 118.398 5.526 12.066 1.00 1.33 C ATOM 1421 O PRO A 100 119.560 5.810 11.852 1.00 1.47 O ATOM 1422 CB PRO A 100 117.685 7.945 12.183 1.00 1.43 C ATOM 1423 CG PRO A 100 118.683 8.714 13.097 1.00 1.74 C ATOM 1424 CD PRO A 100 118.877 7.871 14.377 1.00 1.79 C ATOM 0 HA PRO A 100 116.467 6.185 12.742 1.00 1.33 H new ATOM 0 HB2 PRO A 100 118.072 7.870 11.167 1.00 1.43 H new ATOM 0 HB3 PRO A 100 116.732 8.472 12.123 1.00 1.43 H new ATOM 0 HG2 PRO A 100 119.635 8.863 12.587 1.00 1.74 H new ATOM 0 HG3 PRO A 100 118.295 9.703 13.343 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.917 7.567 14.497 1.00 1.79 H new ATOM 0 HD3 PRO A 100 118.606 8.437 15.268 1.00 1.79 H new ATOM 1432 N PHE A 101 117.905 4.362 11.660 1.00 1.25 N ATOM 1433 CA PHE A 101 118.805 3.390 10.927 1.00 1.36 C ATOM 1434 C PHE A 101 118.352 3.242 9.479 1.00 1.24 C ATOM 1435 O PHE A 101 117.218 3.507 9.135 1.00 1.16 O ATOM 1436 CB PHE A 101 118.842 2.017 11.613 1.00 1.55 C ATOM 1437 CG PHE A 101 117.473 1.387 11.711 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.999 0.549 10.697 1.00 1.78 C ATOM 1439 CD2 PHE A 101 116.704 1.601 12.850 1.00 1.50 C ATOM 1440 CE1 PHE A 101 115.745 -0.063 10.831 1.00 2.18 C ATOM 1441 CE2 PHE A 101 115.464 0.991 12.992 1.00 1.83 C ATOM 1442 CZ PHE A 101 114.977 0.157 11.983 1.00 2.19 C ATOM 0 H PHE A 101 116.944 4.050 11.800 1.00 1.25 H new ATOM 0 HA PHE A 101 119.816 3.797 10.949 1.00 1.36 H new ATOM 0 HB2 PHE A 101 119.506 1.354 11.058 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.262 2.124 12.613 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.596 0.374 9.814 1.00 1.78 H new ATOM 0 HD2 PHE A 101 117.074 2.248 13.632 1.00 1.50 H new ATOM 0 HE1 PHE A 101 115.370 -0.704 10.047 1.00 2.18 H new ATOM 0 HE2 PHE A 101 114.877 1.162 13.882 1.00 1.83 H new ATOM 0 HZ PHE A 101 114.012 -0.317 12.090 1.00 2.19 H new ATOM 1452 N VAL A 102 119.255 2.843 8.622 1.00 1.28 N ATOM 1453 CA VAL A 102 118.919 2.698 7.180 1.00 1.21 C ATOM 1454 C VAL A 102 118.388 1.294 6.895 1.00 1.23 C ATOM 1455 O VAL A 102 118.810 0.322 7.489 1.00 1.34 O ATOM 1456 CB VAL A 102 120.178 2.942 6.342 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.278 1.965 6.763 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.853 2.735 4.861 1.00 1.29 C ATOM 0 H VAL A 102 120.218 2.610 8.864 1.00 1.28 H new ATOM 0 HA VAL A 102 118.150 3.426 6.921 1.00 1.21 H new ATOM 0 HB VAL A 102 120.523 3.963 6.501 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.171 2.143 6.164 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.513 2.113 7.817 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.935 0.942 6.608 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.748 2.909 4.264 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.505 1.714 4.704 1.00 1.29 H new ATOM 0 HG23 VAL A 102 119.074 3.435 4.558 1.00 1.29 H new ATOM 1468 N VAL A 103 117.469 1.193 5.970 1.00 1.15 N ATOM 1469 CA VAL A 103 116.886 -0.130 5.592 1.00 1.19 C ATOM 1470 C VAL A 103 117.156 -0.351 4.088 1.00 1.19 C ATOM 1471 O VAL A 103 116.340 0.014 3.266 1.00 1.10 O ATOM 1472 CB VAL A 103 115.375 -0.092 5.852 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.694 -1.312 5.209 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.134 -0.110 7.364 1.00 1.14 C ATOM 0 H VAL A 103 117.091 1.986 5.451 1.00 1.15 H new ATOM 0 HA VAL A 103 117.329 -0.939 6.174 1.00 1.19 H new ATOM 0 HB VAL A 103 114.955 0.814 5.415 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.622 -1.273 5.401 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.871 -1.303 4.133 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.106 -2.226 5.636 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.062 -0.083 7.562 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.559 -1.019 7.789 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.609 0.760 7.818 1.00 1.14 H new ATOM 1484 N PRO A 104 118.311 -0.897 3.755 1.00 1.29 N ATOM 1485 CA PRO A 104 118.683 -1.107 2.343 1.00 1.30 C ATOM 1486 C PRO A 104 117.755 -2.124 1.654 1.00 1.33 C ATOM 1487 O PRO A 104 117.796 -3.310 1.923 1.00 1.44 O ATOM 1488 CB PRO A 104 120.145 -1.621 2.388 1.00 1.42 C ATOM 1489 CG PRO A 104 120.566 -1.701 3.885 1.00 1.49 C ATOM 1490 CD PRO A 104 119.330 -1.337 4.734 1.00 1.41 C ATOM 0 HA PRO A 104 118.588 -0.190 1.762 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.222 -2.600 1.915 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.805 -0.949 1.839 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.919 -2.703 4.131 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.387 -1.014 4.090 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.980 -2.194 5.310 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.560 -0.546 5.447 1.00 1.41 H new ATOM 1498 N VAL A 105 116.947 -1.660 0.736 1.00 1.25 N ATOM 1499 CA VAL A 105 116.046 -2.573 -0.020 1.00 1.29 C ATOM 1500 C VAL A 105 116.770 -2.894 -1.337 1.00 1.35 C ATOM 1501 O VAL A 105 117.439 -2.039 -1.889 1.00 1.31 O ATOM 1502 CB VAL A 105 114.722 -1.841 -0.261 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.826 -2.629 -1.225 1.00 1.26 C ATOM 1504 CG2 VAL A 105 114.003 -1.672 1.076 1.00 1.15 C ATOM 0 H VAL A 105 116.874 -0.676 0.477 1.00 1.25 H new ATOM 0 HA VAL A 105 115.824 -3.498 0.511 1.00 1.29 H new ATOM 0 HB VAL A 105 114.932 -0.869 -0.707 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.893 -2.088 -1.379 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.337 -2.750 -2.180 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.611 -3.610 -0.802 1.00 1.26 H new ATOM 0 HG21 VAL A 105 113.058 -1.152 0.918 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.809 -2.652 1.511 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.628 -1.091 1.754 1.00 1.15 H new ATOM 1514 N ALA A 106 116.696 -4.122 -1.818 1.00 1.46 N ATOM 1515 CA ALA A 106 117.448 -4.494 -3.073 1.00 1.53 C ATOM 1516 C ALA A 106 116.569 -5.291 -4.064 1.00 1.59 C ATOM 1517 O ALA A 106 115.889 -6.230 -3.715 1.00 1.66 O ATOM 1518 CB ALA A 106 118.664 -5.343 -2.657 1.00 1.67 C ATOM 0 H ALA A 106 116.152 -4.877 -1.400 1.00 1.46 H new ATOM 0 HA ALA A 106 117.756 -3.582 -3.585 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.229 -5.628 -3.544 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.302 -4.762 -1.991 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.322 -6.240 -2.141 1.00 1.67 H new ATOM 1524 N SER A 107 116.611 -4.916 -5.314 1.00 1.59 N ATOM 1525 CA SER A 107 115.831 -5.624 -6.368 1.00 1.67 C ATOM 1526 C SER A 107 116.798 -6.539 -7.102 1.00 1.81 C ATOM 1527 O SER A 107 117.382 -6.170 -8.100 1.00 1.83 O ATOM 1528 CB SER A 107 115.247 -4.612 -7.355 1.00 1.60 C ATOM 1529 OG SER A 107 114.333 -5.274 -8.219 1.00 2.04 O ATOM 0 H SER A 107 117.166 -4.131 -5.655 1.00 1.59 H new ATOM 0 HA SER A 107 115.011 -6.188 -5.924 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.741 -3.811 -6.816 1.00 1.60 H new ATOM 0 HB3 SER A 107 116.046 -4.150 -7.936 1.00 1.60 H new ATOM 0 HG SER A 107 113.955 -4.628 -8.852 1.00 2.04 H new ATOM 1535 N LEU A 108 116.997 -7.710 -6.583 1.00 1.98 N ATOM 1536 CA LEU A 108 117.961 -8.662 -7.205 1.00 2.16 C ATOM 1537 C LEU A 108 119.361 -8.054 -7.101 1.00 2.13 C ATOM 1538 O LEU A 108 120.341 -8.632 -7.526 1.00 2.33 O ATOM 1539 CB LEU A 108 117.605 -8.923 -8.677 1.00 2.25 C ATOM 1540 CG LEU A 108 116.096 -9.150 -8.824 1.00 2.76 C ATOM 1541 CD1 LEU A 108 115.789 -9.621 -10.246 1.00 3.20 C ATOM 1542 CD2 LEU A 108 115.635 -10.218 -7.827 1.00 3.20 C ATOM 0 H LEU A 108 116.530 -8.057 -5.745 1.00 1.98 H new ATOM 0 HA LEU A 108 117.920 -9.618 -6.683 1.00 2.16 H new ATOM 0 HB2 LEU A 108 117.914 -8.076 -9.289 1.00 2.25 H new ATOM 0 HB3 LEU A 108 118.149 -9.795 -9.041 1.00 2.25 H new ATOM 0 HG LEU A 108 115.570 -8.216 -8.624 1.00 2.76 H new ATOM 0 HD11 LEU A 108 114.716 -9.783 -10.352 1.00 3.20 H new ATOM 0 HD12 LEU A 108 116.114 -8.863 -10.959 1.00 3.20 H new ATOM 0 HD13 LEU A 108 116.318 -10.554 -10.442 1.00 3.20 H new ATOM 0 HD21 LEU A 108 114.562 -10.377 -7.934 1.00 3.20 H new ATOM 0 HD22 LEU A 108 116.162 -11.152 -8.025 1.00 3.20 H new ATOM 0 HD23 LEU A 108 115.853 -9.886 -6.812 1.00 3.20 H new ATOM 1554 N SER A 109 119.453 -6.887 -6.512 1.00 1.93 N ATOM 1555 CA SER A 109 120.775 -6.220 -6.342 1.00 1.92 C ATOM 1556 C SER A 109 121.383 -6.655 -5.016 1.00 2.00 C ATOM 1557 O SER A 109 122.583 -6.615 -4.830 1.00 2.09 O ATOM 1558 CB SER A 109 120.592 -4.705 -6.343 1.00 1.77 C ATOM 1559 OG SER A 109 121.862 -4.097 -6.529 1.00 2.06 O ATOM 0 H SER A 109 118.659 -6.366 -6.139 1.00 1.93 H new ATOM 0 HA SER A 109 121.434 -6.502 -7.163 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.909 -4.407 -7.139 1.00 1.77 H new ATOM 0 HB3 SER A 109 120.149 -4.376 -5.403 1.00 1.77 H new ATOM 0 HG SER A 109 121.761 -3.122 -6.533 1.00 2.06 H new ATOM 1565 N ASP A 110 120.564 -7.052 -4.079 1.00 1.99 N ATOM 1566 CA ASP A 110 121.104 -7.466 -2.756 1.00 2.10 C ATOM 1567 C ASP A 110 121.964 -6.325 -2.223 1.00 2.06 C ATOM 1568 O ASP A 110 122.683 -6.466 -1.254 1.00 2.19 O ATOM 1569 CB ASP A 110 121.957 -8.728 -2.912 1.00 2.32 C ATOM 1570 CG ASP A 110 122.297 -9.288 -1.530 1.00 2.37 C ATOM 1571 OD1 ASP A 110 121.403 -9.818 -0.892 1.00 2.85 O ATOM 1572 OD2 ASP A 110 123.445 -9.176 -1.132 1.00 2.61 O ATOM 0 H ASP A 110 119.550 -7.107 -4.173 1.00 1.99 H new ATOM 0 HA ASP A 110 120.289 -7.684 -2.066 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.418 -9.474 -3.496 1.00 2.32 H new ATOM 0 HB3 ASP A 110 122.872 -8.496 -3.457 1.00 2.32 H new ATOM 1836 N ARG B 8 114.253 12.099 -1.733 1.00 0.48 N ATOM 1837 CA ARG B 8 113.396 10.987 -2.241 1.00 0.50 C ATOM 1838 C ARG B 8 111.943 11.249 -1.849 1.00 0.48 C ATOM 1839 O ARG B 8 111.620 12.259 -1.255 1.00 0.96 O ATOM 1840 CB ARG B 8 113.863 9.676 -1.600 1.00 0.67 C ATOM 1841 CG ARG B 8 115.384 9.686 -1.479 1.00 0.80 C ATOM 1842 CD ARG B 8 115.855 8.306 -1.033 1.00 1.18 C ATOM 1843 NE ARG B 8 117.343 8.255 -1.069 1.00 1.76 N ATOM 1844 CZ ARG B 8 117.970 7.266 -0.498 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.289 6.313 0.074 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.275 7.228 -0.504 1.00 2.64 N ATOM 0 HA ARG B 8 113.473 10.922 -3.326 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.409 9.557 -0.616 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.541 8.828 -2.204 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.836 9.947 -2.436 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.700 10.442 -0.760 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.497 8.096 -0.025 1.00 1.18 H new ATOM 0 HD3 ARG B 8 115.438 7.539 -1.686 1.00 1.18 H new ATOM 0 HE ARG B 8 117.869 8.992 -1.539 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.269 6.344 0.073 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.776 5.537 0.522 1.00 3.04 H new ATOM 0 HH21 ARG B 8 119.805 7.973 -0.956 1.00 2.64 H new ATOM 0 HH22 ARG B 8 119.765 6.453 -0.057 1.00 2.64 H new ATOM 1860 N VAL B 9 111.070 10.334 -2.156 1.00 0.42 N ATOM 1861 CA VAL B 9 109.646 10.514 -1.778 1.00 0.36 C ATOM 1862 C VAL B 9 109.582 10.651 -0.253 1.00 0.28 C ATOM 1863 O VAL B 9 110.503 10.274 0.443 1.00 0.38 O ATOM 1864 CB VAL B 9 108.854 9.290 -2.253 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.512 9.197 -1.517 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.595 9.407 -3.758 1.00 0.66 C ATOM 0 H VAL B 9 111.282 9.469 -2.653 1.00 0.42 H new ATOM 0 HA VAL B 9 109.216 11.403 -2.239 1.00 0.36 H new ATOM 0 HB VAL B 9 109.436 8.393 -2.040 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.965 8.322 -1.868 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.690 9.108 -0.445 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.926 10.095 -1.714 1.00 0.67 H new ATOM 0 HG21 VAL B 9 108.032 8.538 -4.099 1.00 0.66 H new ATOM 0 HG22 VAL B 9 108.022 10.312 -3.959 1.00 0.66 H new ATOM 0 HG23 VAL B 9 109.546 9.454 -4.288 1.00 0.66 H new ATOM 1876 N ALA B 10 108.513 11.200 0.271 1.00 0.27 N ATOM 1877 CA ALA B 10 108.396 11.383 1.758 1.00 0.35 C ATOM 1878 C ALA B 10 107.225 10.566 2.306 1.00 0.26 C ATOM 1879 O ALA B 10 106.188 10.450 1.684 1.00 0.40 O ATOM 1880 CB ALA B 10 108.157 12.863 2.060 1.00 0.58 C ATOM 0 H ALA B 10 107.712 11.531 -0.267 1.00 0.27 H new ATOM 0 HA ALA B 10 109.317 11.043 2.231 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.071 13.005 3.137 1.00 0.58 H new ATOM 0 HB2 ALA B 10 108.993 13.451 1.682 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.236 13.189 1.576 1.00 0.58 H new ATOM 1886 N SER B 11 107.385 10.006 3.479 1.00 0.23 N ATOM 1887 CA SER B 11 106.287 9.200 4.094 1.00 0.22 C ATOM 1888 C SER B 11 106.287 9.428 5.608 1.00 0.23 C ATOM 1889 O SER B 11 107.314 9.355 6.256 1.00 0.30 O ATOM 1890 CB SER B 11 106.512 7.716 3.801 1.00 0.36 C ATOM 1891 OG SER B 11 105.560 6.945 4.523 1.00 1.19 O ATOM 0 H SER B 11 108.234 10.073 4.040 1.00 0.23 H new ATOM 0 HA SER B 11 105.329 9.507 3.675 1.00 0.22 H new ATOM 0 HB2 SER B 11 106.416 7.526 2.732 1.00 0.36 H new ATOM 0 HB3 SER B 11 107.523 7.426 4.086 1.00 0.36 H new ATOM 0 HG SER B 11 105.700 5.993 4.336 1.00 1.19 H new ATOM 1897 N SER B 12 105.142 9.711 6.179 1.00 0.27 N ATOM 1898 CA SER B 12 105.069 9.952 7.654 1.00 0.35 C ATOM 1899 C SER B 12 103.798 9.312 8.216 1.00 0.31 C ATOM 1900 O SER B 12 102.695 9.642 7.824 1.00 0.41 O ATOM 1901 CB SER B 12 105.040 11.458 7.920 1.00 0.52 C ATOM 1902 OG SER B 12 103.882 12.020 7.318 1.00 1.38 O ATOM 0 H SER B 12 104.252 9.786 5.686 1.00 0.27 H new ATOM 0 HA SER B 12 105.941 9.511 8.138 1.00 0.35 H new ATOM 0 HB2 SER B 12 105.035 11.649 8.993 1.00 0.52 H new ATOM 0 HB3 SER B 12 105.937 11.927 7.517 1.00 0.52 H new ATOM 0 HG SER B 12 103.200 11.325 7.208 1.00 1.38 H new ATOM 1908 N VAL B 13 103.947 8.397 9.133 1.00 0.27 N ATOM 1909 CA VAL B 13 102.760 7.727 9.728 1.00 0.27 C ATOM 1910 C VAL B 13 103.170 7.056 11.039 1.00 0.32 C ATOM 1911 O VAL B 13 104.349 6.936 11.347 1.00 0.41 O ATOM 1912 CB VAL B 13 102.235 6.677 8.747 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.388 5.774 8.304 1.00 0.42 C ATOM 1914 CG2 VAL B 13 101.145 5.829 9.413 1.00 0.41 C ATOM 0 H VAL B 13 104.847 8.083 9.497 1.00 0.27 H new ATOM 0 HA VAL B 13 101.976 8.458 9.927 1.00 0.27 H new ATOM 0 HB VAL B 13 101.809 7.181 7.880 1.00 0.32 H new ATOM 0 HG11 VAL B 13 103.016 5.025 7.605 1.00 0.42 H new ATOM 0 HG12 VAL B 13 104.155 6.376 7.817 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.816 5.277 9.175 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.779 5.085 8.705 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.559 5.326 10.287 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.321 6.472 9.721 1.00 0.41 H new ATOM 1924 N PHE B 14 102.212 6.619 11.818 1.00 0.36 N ATOM 1925 CA PHE B 14 102.561 5.959 13.104 1.00 0.45 C ATOM 1926 C PHE B 14 101.322 5.453 13.843 1.00 0.34 C ATOM 1927 O PHE B 14 100.218 5.469 13.336 1.00 0.35 O ATOM 1928 CB PHE B 14 103.277 6.942 14.016 1.00 0.59 C ATOM 1929 CG PHE B 14 102.344 8.045 14.477 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.841 8.974 13.557 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.999 8.151 15.833 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.993 9.999 13.988 1.00 1.03 C ATOM 1933 CE2 PHE B 14 101.153 9.178 16.263 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.649 10.102 15.341 1.00 1.54 C ATOM 0 H PHE B 14 101.214 6.691 11.618 1.00 0.36 H new ATOM 0 HA PHE B 14 103.202 5.111 12.860 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.675 6.414 14.882 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.126 7.377 13.490 1.00 0.59 H new ATOM 0 HD1 PHE B 14 102.109 8.898 12.513 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.387 7.438 16.546 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.603 10.712 13.276 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.889 9.258 17.307 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.995 10.894 15.673 1.00 1.54 H new ATOM 1944 N ILE B 15 101.524 5.008 15.064 1.00 0.34 N ATOM 1945 CA ILE B 15 100.405 4.496 15.896 1.00 0.33 C ATOM 1946 C ILE B 15 100.647 4.928 17.350 1.00 0.31 C ATOM 1947 O ILE B 15 101.681 5.479 17.678 1.00 0.58 O ATOM 1948 CB ILE B 15 100.365 2.965 15.823 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.798 2.377 15.961 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.717 2.528 14.502 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.476 2.201 14.591 1.00 1.25 C ATOM 0 H ILE B 15 102.437 4.981 15.519 1.00 0.34 H new ATOM 0 HA ILE B 15 99.458 4.895 15.533 1.00 0.33 H new ATOM 0 HB ILE B 15 99.766 2.582 16.649 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.403 3.035 16.584 1.00 0.62 H new ATOM 0 HG13 ILE B 15 101.749 1.414 16.469 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.690 1.439 14.453 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.701 2.919 14.448 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.299 2.915 13.666 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.475 1.788 14.730 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.885 1.522 13.977 1.00 1.25 H new ATOM 0 HD13 ILE B 15 102.549 3.168 14.094 1.00 1.25 H new ATOM 1963 N THR B 16 99.708 4.682 18.228 1.00 0.35 N ATOM 1964 CA THR B 16 99.896 5.081 19.658 1.00 0.47 C ATOM 1965 C THR B 16 99.205 4.069 20.574 1.00 0.31 C ATOM 1966 O THR B 16 98.118 3.604 20.294 1.00 0.35 O ATOM 1967 CB THR B 16 99.283 6.465 19.886 1.00 0.75 C ATOM 1968 OG1 THR B 16 97.869 6.375 19.792 1.00 1.61 O ATOM 1969 CG2 THR B 16 99.806 7.439 18.831 1.00 1.40 C ATOM 0 H THR B 16 98.821 4.223 18.018 1.00 0.35 H new ATOM 0 HA THR B 16 100.962 5.107 19.885 1.00 0.47 H new ATOM 0 HB THR B 16 99.560 6.826 20.876 1.00 0.75 H new ATOM 0 HG1 THR B 16 97.474 7.260 19.939 1.00 1.61 H new ATOM 0 HG21 THR B 16 99.368 8.423 18.996 1.00 1.40 H new ATOM 0 HG22 THR B 16 100.891 7.508 18.905 1.00 1.40 H new ATOM 0 HG23 THR B 16 99.532 7.082 17.838 1.00 1.40 H new ATOM 1977 N LEU B 17 99.826 3.729 21.675 1.00 0.39 N ATOM 1978 CA LEU B 17 99.205 2.753 22.620 1.00 0.44 C ATOM 1979 C LEU B 17 98.359 3.515 23.641 1.00 0.31 C ATOM 1980 O LEU B 17 98.783 4.511 24.193 1.00 0.54 O ATOM 1981 CB LEU B 17 100.305 1.972 23.346 1.00 0.72 C ATOM 1982 CG LEU B 17 101.360 1.506 22.338 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.348 0.568 23.035 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.679 0.762 21.182 1.00 1.32 C ATOM 0 H LEU B 17 100.738 4.086 21.960 1.00 0.39 H new ATOM 0 HA LEU B 17 98.575 2.056 22.068 1.00 0.44 H new ATOM 0 HB2 LEU B 17 100.768 2.600 24.107 1.00 0.72 H new ATOM 0 HB3 LEU B 17 99.875 1.112 23.860 1.00 0.72 H new ATOM 0 HG LEU B 17 101.892 2.373 21.945 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.100 0.235 22.320 1.00 1.06 H new ATOM 0 HD12 LEU B 17 102.835 1.097 23.854 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.813 -0.297 23.428 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.433 0.432 20.467 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.145 -0.105 21.572 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.975 1.429 20.685 1.00 1.32 H new