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 20 LYS NZ :NH3+ 147:sc= -1.1! (180deg=-2.08!) USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= -1.1! USER MOD Single : A 19 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.41) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 84:sc= 0.627 USER MOD Single : A 59 SER OG : rot 170:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 31:sc= 0.361 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 130:sc= -0.221 USER MOD Single : A 80 GLN : amide:sc= -0.099 X(o=-0.099,f=-0.095) USER MOD Single : A 85 TYR OH : rot -16:sc= 0.215 USER MOD Single : A 88 SER OG : rot 180:sc= -0.388 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0847 K(o=-0.085,f=-0.6) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -1.64 F(o=-3.6!,f=-1.6) USER MOD Single : A 99 SER OG : rot 175:sc= 1.04 USER MOD Single : A 107 SER OG : rot -68:sc= 0.578 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= -1.47! USER MOD Single : B 12 SER OG : rot 42:sc= 0.223 USER MOD Single : B 16 THR OG1 : rot 22:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 113.426 6.983 28.604 1.00 2.21 N ATOM 228 CA GLY A 16 112.000 6.569 28.718 1.00 2.06 C ATOM 229 C GLY A 16 111.594 5.622 27.581 1.00 1.98 C ATOM 230 O GLY A 16 111.605 5.979 26.421 1.00 2.44 O ATOM 0 HA2 GLY A 16 111.839 6.077 29.677 1.00 2.06 H new ATOM 0 HA3 GLY A 16 111.362 7.452 28.702 1.00 2.06 H new ATOM 234 N GLY A 17 111.206 4.421 27.923 1.00 1.81 N ATOM 235 CA GLY A 17 110.762 3.437 26.892 1.00 1.74 C ATOM 236 C GLY A 17 111.958 2.899 26.119 1.00 1.78 C ATOM 237 O GLY A 17 112.182 1.708 26.046 1.00 1.80 O ATOM 0 H GLY A 17 111.178 4.077 28.883 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.231 2.614 27.371 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.061 3.912 26.205 1.00 1.74 H new ATOM 241 N ALA A 18 112.724 3.763 25.535 1.00 1.84 N ATOM 242 CA ALA A 18 113.909 3.295 24.754 1.00 1.96 C ATOM 243 C ALA A 18 114.728 2.311 25.601 1.00 2.07 C ATOM 244 O ALA A 18 115.649 1.683 25.117 1.00 2.21 O ATOM 245 CB ALA A 18 114.772 4.511 24.349 1.00 2.09 C ATOM 0 H ALA A 18 112.589 4.774 25.559 1.00 1.84 H new ATOM 0 HA ALA A 18 113.576 2.784 23.850 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.636 4.170 23.779 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.179 5.190 23.737 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.110 5.032 25.245 1.00 2.09 H new ATOM 251 N HIS A 19 114.410 2.179 26.863 1.00 2.06 N ATOM 252 CA HIS A 19 115.179 1.246 27.738 1.00 2.21 C ATOM 253 C HIS A 19 114.482 -0.120 27.810 1.00 2.15 C ATOM 254 O HIS A 19 115.028 -1.064 28.346 1.00 2.33 O ATOM 255 CB HIS A 19 115.276 1.846 29.146 1.00 2.33 C ATOM 256 CG HIS A 19 115.883 0.843 30.091 1.00 2.51 C ATOM 257 ND1 HIS A 19 115.246 0.447 31.257 1.00 2.79 N ATOM 258 CD2 HIS A 19 117.065 0.145 30.056 1.00 2.86 C ATOM 259 CE1 HIS A 19 116.040 -0.450 31.869 1.00 2.87 C ATOM 260 NE2 HIS A 19 117.162 -0.670 31.179 1.00 2.87 N ATOM 0 H HIS A 19 113.650 2.678 27.325 1.00 2.06 H new ATOM 0 HA HIS A 19 116.176 1.107 27.321 1.00 2.21 H new ATOM 0 HB2 HIS A 19 115.883 2.751 29.124 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.285 2.135 29.496 1.00 2.33 H new ATOM 0 HD2 HIS A 19 117.807 0.218 29.275 1.00 2.86 H new ATOM 0 HE1 HIS A 19 115.799 -0.933 32.804 1.00 2.87 H new ATOM 0 HE2 HIS A 19 117.926 -1.300 31.423 1.00 2.87 H new ATOM 268 N LYS A 20 113.282 -0.238 27.286 1.00 2.02 N ATOM 269 CA LYS A 20 112.560 -1.554 27.340 1.00 2.01 C ATOM 270 C LYS A 20 111.948 -1.877 25.976 1.00 1.90 C ATOM 271 O LYS A 20 111.295 -2.887 25.806 1.00 1.96 O ATOM 272 CB LYS A 20 111.452 -1.487 28.407 1.00 1.99 C ATOM 273 CG LYS A 20 110.412 -0.386 28.063 1.00 1.81 C ATOM 274 CD LYS A 20 109.162 -1.008 27.414 1.00 1.74 C ATOM 275 CE LYS A 20 108.240 0.094 26.880 1.00 1.58 C ATOM 276 NZ LYS A 20 106.845 -0.423 26.803 1.00 1.94 N ATOM 0 H LYS A 20 112.773 0.516 26.825 1.00 2.02 H new ATOM 0 HA LYS A 20 113.269 -2.340 27.600 1.00 2.01 H new ATOM 0 HB2 LYS A 20 110.953 -2.453 28.479 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.894 -1.283 29.382 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.130 0.151 28.968 1.00 1.81 H new ATOM 0 HG3 LYS A 20 110.856 0.343 27.385 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.457 -1.671 26.601 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.629 -1.617 28.144 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.281 0.966 27.533 1.00 1.58 H new ATOM 0 HE3 LYS A 20 108.575 0.418 25.894 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 106.177 0.350 26.996 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 106.668 -0.804 25.852 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.715 -1.176 27.508 1.00 1.94 H new ATOM 290 N VAL A 21 112.153 -1.038 24.997 1.00 1.80 N ATOM 291 CA VAL A 21 111.579 -1.315 23.646 1.00 1.71 C ATOM 292 C VAL A 21 112.556 -2.164 22.838 1.00 1.76 C ATOM 293 O VAL A 21 113.632 -1.729 22.481 1.00 1.81 O ATOM 294 CB VAL A 21 111.318 0.006 22.920 1.00 1.64 C ATOM 295 CG1 VAL A 21 110.927 -0.267 21.464 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.177 0.745 23.618 1.00 1.75 C ATOM 0 H VAL A 21 112.691 -0.175 25.072 1.00 1.80 H new ATOM 0 HA VAL A 21 110.640 -1.857 23.756 1.00 1.71 H new ATOM 0 HB VAL A 21 112.223 0.613 22.941 1.00 1.64 H new ATOM 0 HG11 VAL A 21 110.743 0.678 20.953 1.00 2.07 H new ATOM 0 HG12 VAL A 21 111.737 -0.798 20.963 1.00 2.07 H new ATOM 0 HG13 VAL A 21 110.023 -0.876 21.438 1.00 2.07 H new ATOM 0 HG21 VAL A 21 109.986 1.688 23.105 1.00 1.75 H new ATOM 0 HG22 VAL A 21 109.277 0.130 23.594 1.00 1.75 H new ATOM 0 HG23 VAL A 21 110.453 0.945 24.653 1.00 1.75 H new ATOM 306 N ARG A 22 112.179 -3.379 22.546 1.00 1.78 N ATOM 307 CA ARG A 22 113.066 -4.281 21.756 1.00 1.85 C ATOM 308 C ARG A 22 112.634 -4.250 20.290 1.00 1.74 C ATOM 309 O ARG A 22 111.467 -4.362 19.972 1.00 1.66 O ATOM 310 CB ARG A 22 112.938 -5.706 22.305 1.00 1.96 C ATOM 311 CG ARG A 22 113.724 -6.695 21.426 1.00 2.03 C ATOM 312 CD ARG A 22 115.185 -6.238 21.296 1.00 2.18 C ATOM 313 NE ARG A 22 116.052 -7.398 20.895 1.00 2.75 N ATOM 314 CZ ARG A 22 116.159 -8.469 21.637 1.00 3.10 C ATOM 315 NH1 ARG A 22 115.629 -8.505 22.829 1.00 3.50 N ATOM 316 NH2 ARG A 22 116.840 -9.493 21.201 1.00 3.33 N ATOM 0 H ARG A 22 111.287 -3.789 22.823 1.00 1.78 H new ATOM 0 HA ARG A 22 114.102 -3.952 21.833 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.312 -5.743 23.328 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.888 -5.996 22.339 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.684 -7.693 21.863 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.266 -6.760 20.439 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.261 -5.443 20.555 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.531 -5.825 22.243 1.00 2.18 H new ATOM 0 HE ARG A 22 116.572 -7.348 20.019 1.00 2.75 H new ATOM 0 HH11 ARG A 22 115.126 -7.693 23.188 1.00 3.50 H new ATOM 0 HH12 ARG A 22 115.717 -9.345 23.401 1.00 3.50 H new ATOM 0 HH21 ARG A 22 117.286 -9.456 20.285 1.00 3.33 H new ATOM 0 HH22 ARG A 22 116.926 -10.331 21.777 1.00 3.33 H new ATOM 330 N ALA A 23 113.574 -4.101 19.394 1.00 1.77 N ATOM 331 CA ALA A 23 113.241 -4.065 17.938 1.00 1.68 C ATOM 332 C ALA A 23 114.299 -4.861 17.177 1.00 1.77 C ATOM 333 O ALA A 23 115.455 -4.490 17.134 1.00 1.83 O ATOM 334 CB ALA A 23 113.244 -2.614 17.451 1.00 1.59 C ATOM 0 H ALA A 23 114.566 -4.002 19.610 1.00 1.77 H new ATOM 0 HA ALA A 23 112.255 -4.498 17.768 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.001 -2.586 16.389 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.502 -2.042 18.008 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.231 -2.179 17.609 1.00 1.59 H new ATOM 340 N GLY A 24 113.920 -5.960 16.582 1.00 1.80 N ATOM 341 CA GLY A 24 114.920 -6.779 15.836 1.00 1.90 C ATOM 342 C GLY A 24 114.211 -7.634 14.786 1.00 1.86 C ATOM 343 O GLY A 24 113.258 -8.328 15.081 1.00 1.86 O ATOM 0 H GLY A 24 112.967 -6.325 16.580 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.650 -6.128 15.355 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.469 -7.418 16.528 1.00 1.90 H new ATOM 347 N GLY A 25 114.665 -7.594 13.561 1.00 1.85 N ATOM 348 CA GLY A 25 114.006 -8.413 12.508 1.00 1.84 C ATOM 349 C GLY A 25 114.723 -8.224 11.172 1.00 1.84 C ATOM 350 O GLY A 25 115.686 -7.489 11.067 1.00 1.84 O ATOM 0 H GLY A 25 115.458 -7.033 13.248 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.021 -9.465 12.792 1.00 1.84 H new ATOM 0 HA3 GLY A 25 112.960 -8.123 12.412 1.00 1.84 H new ATOM 354 N THR A 26 114.254 -8.880 10.147 1.00 1.86 N ATOM 355 CA THR A 26 114.900 -8.743 8.812 1.00 1.87 C ATOM 356 C THR A 26 114.417 -7.455 8.142 1.00 1.75 C ATOM 357 O THR A 26 115.003 -6.979 7.186 1.00 1.76 O ATOM 358 CB THR A 26 114.521 -9.940 7.938 1.00 1.96 C ATOM 359 OG1 THR A 26 113.130 -10.198 8.069 1.00 2.31 O ATOM 360 CG2 THR A 26 115.315 -11.172 8.379 1.00 2.29 C ATOM 0 H THR A 26 113.449 -9.506 10.177 1.00 1.86 H new ATOM 0 HA THR A 26 115.983 -8.708 8.935 1.00 1.87 H new ATOM 0 HB THR A 26 114.754 -9.717 6.897 1.00 1.96 H new ATOM 0 HG1 THR A 26 112.885 -10.964 7.508 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.043 -12.023 7.755 1.00 2.29 H new ATOM 0 HG22 THR A 26 116.382 -10.973 8.276 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.087 -11.398 9.420 1.00 2.29 H new ATOM 368 N GLY A 27 113.350 -6.889 8.634 1.00 1.64 N ATOM 369 CA GLY A 27 112.825 -5.638 8.025 1.00 1.54 C ATOM 370 C GLY A 27 113.687 -4.457 8.462 1.00 1.50 C ATOM 371 O GLY A 27 113.547 -3.356 7.967 1.00 1.46 O ATOM 0 H GLY A 27 112.820 -7.240 9.432 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.828 -5.721 6.938 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.791 -5.479 8.330 1.00 1.54 H new ATOM 375 N LEU A 28 114.586 -4.679 9.385 1.00 1.57 N ATOM 376 CA LEU A 28 115.473 -3.573 9.860 1.00 1.59 C ATOM 377 C LEU A 28 116.832 -3.696 9.178 1.00 1.69 C ATOM 378 O LEU A 28 117.724 -2.902 9.398 1.00 1.83 O ATOM 379 CB LEU A 28 115.661 -3.683 11.375 1.00 1.65 C ATOM 380 CG LEU A 28 114.298 -3.775 12.072 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.503 -3.693 13.588 1.00 1.66 C ATOM 382 CD2 LEU A 28 113.397 -2.619 11.612 1.00 1.61 C ATOM 0 H LEU A 28 114.745 -5.582 9.833 1.00 1.57 H new ATOM 0 HA LEU A 28 115.020 -2.612 9.617 1.00 1.59 H new ATOM 0 HB2 LEU A 28 116.259 -4.563 11.612 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.209 -2.816 11.745 1.00 1.65 H new ATOM 0 HG LEU A 28 113.822 -4.721 11.815 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.538 -3.758 14.090 1.00 1.66 H new ATOM 0 HD12 LEU A 28 115.138 -4.517 13.914 1.00 1.66 H new ATOM 0 HD13 LEU A 28 114.980 -2.746 13.840 1.00 1.66 H new ATOM 0 HD21 LEU A 28 112.430 -2.690 12.111 1.00 1.61 H new ATOM 0 HD22 LEU A 28 113.867 -1.669 11.865 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.254 -2.677 10.533 1.00 1.61 H new ATOM 394 N GLU A 29 116.995 -4.695 8.351 1.00 1.73 N ATOM 395 CA GLU A 29 118.295 -4.896 7.645 1.00 1.84 C ATOM 396 C GLU A 29 118.175 -4.404 6.199 1.00 1.75 C ATOM 397 O GLU A 29 119.049 -3.726 5.696 1.00 1.78 O ATOM 398 CB GLU A 29 118.644 -6.386 7.658 1.00 2.00 C ATOM 399 CG GLU A 29 118.382 -6.956 9.057 1.00 2.06 C ATOM 400 CD GLU A 29 118.797 -8.428 9.094 1.00 1.98 C ATOM 401 OE1 GLU A 29 119.188 -8.940 8.058 1.00 2.34 O ATOM 402 OE2 GLU A 29 118.717 -9.019 10.159 1.00 2.21 O ATOM 0 H GLU A 29 116.277 -5.386 8.133 1.00 1.73 H new ATOM 0 HA GLU A 29 119.080 -4.332 8.149 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.046 -6.918 6.918 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.689 -6.529 7.385 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.941 -6.391 9.802 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.326 -6.858 9.309 1.00 2.06 H new ATOM 409 N ARG A 30 117.104 -4.733 5.523 1.00 1.69 N ATOM 410 CA ARG A 30 116.953 -4.270 4.110 1.00 1.64 C ATOM 411 C ARG A 30 115.593 -4.708 3.554 1.00 1.59 C ATOM 412 O ARG A 30 114.868 -5.461 4.174 1.00 1.61 O ATOM 413 CB ARG A 30 118.071 -4.880 3.257 1.00 1.75 C ATOM 414 CG ARG A 30 118.260 -6.350 3.643 1.00 2.21 C ATOM 415 CD ARG A 30 119.080 -7.063 2.566 1.00 2.47 C ATOM 416 NE ARG A 30 119.289 -8.484 2.962 1.00 2.96 N ATOM 417 CZ ARG A 30 119.694 -9.356 2.079 1.00 3.36 C ATOM 418 NH1 ARG A 30 119.918 -8.983 0.849 1.00 3.77 N ATOM 419 NH2 ARG A 30 119.876 -10.601 2.427 1.00 3.76 N ATOM 0 H ARG A 30 116.334 -5.297 5.884 1.00 1.69 H new ATOM 0 HA ARG A 30 117.015 -3.182 4.081 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.822 -4.799 2.199 1.00 1.75 H new ATOM 0 HB3 ARG A 30 119.000 -4.330 3.408 1.00 1.75 H new ATOM 0 HG2 ARG A 30 118.766 -6.421 4.606 1.00 2.21 H new ATOM 0 HG3 ARG A 30 117.290 -6.834 3.756 1.00 2.21 H new ATOM 0 HD2 ARG A 30 118.563 -7.013 1.608 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.041 -6.565 2.436 1.00 2.47 H new ATOM 0 HE ARG A 30 119.115 -8.776 3.924 1.00 2.96 H new ATOM 0 HH11 ARG A 30 119.777 -8.010 0.577 1.00 3.77 H new ATOM 0 HH12 ARG A 30 120.234 -9.664 0.159 1.00 3.77 H new ATOM 0 HH21 ARG A 30 119.702 -10.892 3.389 1.00 3.76 H new ATOM 0 HH22 ARG A 30 120.192 -11.282 1.737 1.00 3.76 H new ATOM 433 N GLY A 31 115.251 -4.248 2.374 1.00 1.54 N ATOM 434 CA GLY A 31 113.952 -4.636 1.750 1.00 1.52 C ATOM 435 C GLY A 31 114.179 -4.779 0.249 1.00 1.55 C ATOM 436 O GLY A 31 115.254 -4.496 -0.241 1.00 1.57 O ATOM 0 H GLY A 31 115.823 -3.615 1.814 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.590 -5.573 2.172 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.191 -3.882 1.951 1.00 1.52 H new ATOM 440 N VAL A 32 113.191 -5.219 -0.493 1.00 1.56 N ATOM 441 CA VAL A 32 113.376 -5.377 -1.974 1.00 1.60 C ATOM 442 C VAL A 32 112.176 -4.789 -2.728 1.00 1.53 C ATOM 443 O VAL A 32 111.063 -4.762 -2.240 1.00 1.50 O ATOM 444 CB VAL A 32 113.540 -6.870 -2.295 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.369 -7.128 -3.800 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.930 -7.351 -1.847 1.00 1.83 C ATOM 0 H VAL A 32 112.268 -5.475 -0.141 1.00 1.56 H new ATOM 0 HA VAL A 32 114.267 -4.837 -2.294 1.00 1.60 H new ATOM 0 HB VAL A 32 112.769 -7.422 -1.757 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.490 -8.192 -4.003 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.375 -6.809 -4.113 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.121 -6.566 -4.353 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.040 -8.411 -2.077 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.698 -6.784 -2.373 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.039 -7.200 -0.773 1.00 1.83 H new ATOM 456 N ALA A 33 112.419 -4.301 -3.916 1.00 1.51 N ATOM 457 CA ALA A 33 111.331 -3.683 -4.739 1.00 1.46 C ATOM 458 C ALA A 33 110.015 -4.476 -4.670 1.00 1.53 C ATOM 459 O ALA A 33 109.904 -5.577 -5.171 1.00 1.64 O ATOM 460 CB ALA A 33 111.800 -3.606 -6.205 1.00 1.51 C ATOM 0 H ALA A 33 113.338 -4.303 -4.359 1.00 1.51 H new ATOM 0 HA ALA A 33 111.133 -2.690 -4.336 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.016 -3.157 -6.815 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.701 -2.996 -6.267 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.015 -4.610 -6.571 1.00 1.51 H new ATOM 466 N GLY A 34 109.010 -3.877 -4.098 1.00 1.46 N ATOM 467 CA GLY A 34 107.667 -4.516 -4.030 1.00 1.52 C ATOM 468 C GLY A 34 107.727 -5.875 -3.337 1.00 1.62 C ATOM 469 O GLY A 34 107.168 -6.840 -3.820 1.00 1.73 O ATOM 0 H GLY A 34 109.063 -2.954 -3.667 1.00 1.46 H new ATOM 0 HA2 GLY A 34 106.979 -3.863 -3.493 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.270 -4.638 -5.038 1.00 1.52 H new ATOM 473 N VAL A 35 108.383 -5.960 -2.207 1.00 1.59 N ATOM 474 CA VAL A 35 108.462 -7.261 -1.468 1.00 1.69 C ATOM 475 C VAL A 35 108.004 -7.032 -0.006 1.00 1.61 C ATOM 476 O VAL A 35 108.682 -6.330 0.719 1.00 1.55 O ATOM 477 CB VAL A 35 109.916 -7.757 -1.490 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.118 -8.856 -0.440 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.228 -8.327 -2.878 1.00 2.19 C ATOM 0 H VAL A 35 108.870 -5.182 -1.761 1.00 1.59 H new ATOM 0 HA VAL A 35 107.819 -8.006 -1.937 1.00 1.69 H new ATOM 0 HB VAL A 35 110.581 -6.923 -1.265 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.152 -9.199 -0.466 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.892 -8.459 0.550 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.453 -9.692 -0.656 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.258 -8.681 -2.903 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.554 -9.157 -3.091 1.00 2.19 H new ATOM 0 HG23 VAL A 35 110.094 -7.549 -3.629 1.00 2.19 H new ATOM 489 N PRO A 36 106.880 -7.607 0.414 1.00 1.67 N ATOM 490 CA PRO A 36 106.410 -7.407 1.798 1.00 1.61 C ATOM 491 C PRO A 36 107.465 -7.918 2.788 1.00 1.61 C ATOM 492 O PRO A 36 107.901 -9.050 2.716 1.00 1.74 O ATOM 493 CB PRO A 36 105.091 -8.210 1.903 1.00 1.76 C ATOM 494 CG PRO A 36 104.824 -8.851 0.510 1.00 1.96 C ATOM 495 CD PRO A 36 106.005 -8.474 -0.412 1.00 1.85 C ATOM 0 HA PRO A 36 106.246 -6.356 2.038 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.170 -8.980 2.671 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.266 -7.558 2.190 1.00 1.76 H new ATOM 0 HG2 PRO A 36 104.737 -9.934 0.597 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.884 -8.488 0.095 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.538 -9.362 -0.752 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.658 -7.950 -1.302 1.00 1.85 H new ATOM 503 N ALA A 37 107.866 -7.085 3.716 1.00 1.53 N ATOM 504 CA ALA A 37 108.885 -7.495 4.732 1.00 1.62 C ATOM 505 C ALA A 37 108.324 -7.192 6.118 1.00 1.53 C ATOM 506 O ALA A 37 107.264 -6.613 6.248 1.00 1.52 O ATOM 507 CB ALA A 37 110.173 -6.698 4.515 1.00 1.69 C ATOM 0 H ALA A 37 107.527 -6.128 3.814 1.00 1.53 H new ATOM 0 HA ALA A 37 109.106 -8.558 4.638 1.00 1.62 H new ATOM 0 HB1 ALA A 37 110.915 -6.997 5.255 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.559 -6.895 3.515 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.964 -5.633 4.620 1.00 1.69 H new ATOM 513 N GLU A 38 109.010 -7.573 7.160 1.00 1.50 N ATOM 514 CA GLU A 38 108.472 -7.288 8.517 1.00 1.45 C ATOM 515 C GLU A 38 109.561 -7.418 9.573 1.00 1.50 C ATOM 516 O GLU A 38 110.652 -7.890 9.320 1.00 1.60 O ATOM 517 CB GLU A 38 107.330 -8.271 8.834 1.00 1.54 C ATOM 518 CG GLU A 38 107.895 -9.639 9.247 1.00 1.68 C ATOM 519 CD GLU A 38 106.807 -10.708 9.121 1.00 1.83 C ATOM 520 OE1 GLU A 38 105.990 -10.804 10.022 1.00 2.12 O ATOM 521 OE2 GLU A 38 106.810 -11.413 8.125 1.00 2.23 O ATOM 0 H GLU A 38 109.905 -8.061 7.132 1.00 1.50 H new ATOM 0 HA GLU A 38 108.097 -6.265 8.531 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.710 -7.870 9.636 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.688 -8.385 7.961 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.746 -9.897 8.616 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.260 -9.597 10.273 1.00 1.68 H new ATOM 528 N PHE A 39 109.241 -7.020 10.766 1.00 1.46 N ATOM 529 CA PHE A 39 110.203 -7.125 11.884 1.00 1.54 C ATOM 530 C PHE A 39 109.404 -7.170 13.180 1.00 1.53 C ATOM 531 O PHE A 39 108.212 -6.934 13.192 1.00 1.50 O ATOM 532 CB PHE A 39 111.176 -5.939 11.883 1.00 1.54 C ATOM 533 CG PHE A 39 110.434 -4.633 12.063 1.00 1.31 C ATOM 534 CD1 PHE A 39 109.581 -4.170 11.056 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.618 -3.873 13.225 1.00 1.34 C ATOM 536 CE1 PHE A 39 108.908 -2.953 11.211 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.950 -2.654 13.377 1.00 1.37 C ATOM 538 CZ PHE A 39 109.094 -2.195 12.370 1.00 1.30 C ATOM 0 H PHE A 39 108.337 -6.620 11.016 1.00 1.46 H new ATOM 0 HA PHE A 39 110.803 -8.029 11.780 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.905 -6.061 12.684 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.732 -5.920 10.946 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.442 -4.753 10.157 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.276 -4.229 14.004 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.245 -2.600 10.435 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.095 -2.067 14.272 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.577 -1.254 12.489 1.00 1.30 H new ATOM 548 N SER A 40 110.040 -7.505 14.261 1.00 1.60 N ATOM 549 CA SER A 40 109.316 -7.613 15.565 1.00 1.61 C ATOM 550 C SER A 40 109.563 -6.379 16.438 1.00 1.59 C ATOM 551 O SER A 40 110.605 -5.757 16.387 1.00 1.64 O ATOM 552 CB SER A 40 109.817 -8.852 16.308 1.00 1.73 C ATOM 553 OG SER A 40 109.763 -9.974 15.437 1.00 2.37 O ATOM 0 H SER A 40 111.038 -7.712 14.304 1.00 1.60 H new ATOM 0 HA SER A 40 108.247 -7.687 15.363 1.00 1.61 H new ATOM 0 HB2 SER A 40 110.838 -8.695 16.654 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.205 -9.033 17.192 1.00 1.73 H new ATOM 0 HG SER A 40 110.085 -10.770 15.909 1.00 2.37 H new ATOM 559 N ILE A 41 108.601 -6.046 17.258 1.00 1.54 N ATOM 560 CA ILE A 41 108.734 -4.877 18.181 1.00 1.54 C ATOM 561 C ILE A 41 108.097 -5.245 19.523 1.00 1.60 C ATOM 562 O ILE A 41 106.926 -5.008 19.748 1.00 1.65 O ATOM 563 CB ILE A 41 108.004 -3.661 17.607 1.00 1.45 C ATOM 564 CG1 ILE A 41 108.419 -3.442 16.148 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.361 -2.420 18.431 1.00 1.50 C ATOM 566 CD1 ILE A 41 107.849 -2.110 15.637 1.00 1.34 C ATOM 0 H ILE A 41 107.713 -6.543 17.329 1.00 1.54 H new ATOM 0 HA ILE A 41 109.789 -4.633 18.305 1.00 1.54 H new ATOM 0 HB ILE A 41 106.929 -3.835 17.650 1.00 1.45 H new ATOM 0 HG12 ILE A 41 109.506 -3.438 16.067 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.056 -4.264 15.530 1.00 1.47 H new ATOM 0 HG21 ILE A 41 107.842 -1.552 18.024 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.058 -2.572 19.467 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.437 -2.252 18.389 1.00 1.50 H new ATOM 0 HD11 ILE A 41 108.148 -1.961 14.599 1.00 1.34 H new ATOM 0 HD12 ILE A 41 106.761 -2.131 15.702 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.233 -1.292 16.247 1.00 1.34 H new ATOM 578 N TRP A 42 108.851 -5.825 20.416 1.00 1.65 N ATOM 579 CA TRP A 42 108.285 -6.212 21.743 1.00 1.71 C ATOM 580 C TRP A 42 108.481 -5.048 22.722 1.00 1.77 C ATOM 581 O TRP A 42 109.547 -4.472 22.810 1.00 1.78 O ATOM 582 CB TRP A 42 109.010 -7.476 22.233 1.00 1.88 C ATOM 583 CG TRP A 42 108.850 -7.647 23.713 1.00 2.08 C ATOM 584 CD1 TRP A 42 107.696 -7.480 24.396 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.859 -8.018 24.697 1.00 2.36 C ATOM 586 NE1 TRP A 42 107.932 -7.723 25.738 1.00 2.89 N ATOM 587 CE2 TRP A 42 109.250 -8.058 25.973 1.00 2.64 C ATOM 588 CE3 TRP A 42 111.230 -8.320 24.607 1.00 3.00 C ATOM 589 CZ2 TRP A 42 109.975 -8.385 27.120 1.00 3.08 C ATOM 590 CZ3 TRP A 42 111.963 -8.650 25.759 1.00 3.68 C ATOM 591 CH2 TRP A 42 111.336 -8.683 27.013 1.00 3.56 C ATOM 0 H TRP A 42 109.837 -6.049 20.285 1.00 1.65 H new ATOM 0 HA TRP A 42 107.219 -6.426 21.668 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.613 -8.350 21.717 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.069 -7.412 21.983 1.00 1.88 H new ATOM 0 HD1 TRP A 42 106.745 -7.202 23.965 1.00 2.66 H new ATOM 0 HE1 TRP A 42 107.219 -7.662 26.465 1.00 2.89 H new ATOM 0 HE3 TRP A 42 111.722 -8.298 23.646 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 109.487 -8.408 28.083 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 113.015 -8.880 25.679 1.00 3.68 H new ATOM 0 HH2 TRP A 42 111.904 -8.938 27.895 1.00 3.56 H new ATOM 602 N THR A 43 107.456 -4.691 23.450 1.00 1.91 N ATOM 603 CA THR A 43 107.586 -3.558 24.409 1.00 2.07 C ATOM 604 C THR A 43 106.466 -3.626 25.454 1.00 1.92 C ATOM 605 O THR A 43 105.301 -3.724 25.123 1.00 2.17 O ATOM 606 CB THR A 43 107.491 -2.232 23.642 1.00 2.42 C ATOM 607 OG1 THR A 43 107.258 -1.173 24.558 1.00 2.72 O ATOM 608 CG2 THR A 43 106.342 -2.293 22.631 1.00 2.89 C ATOM 0 H THR A 43 106.538 -5.134 23.421 1.00 1.91 H new ATOM 0 HA THR A 43 108.549 -3.623 24.915 1.00 2.07 H new ATOM 0 HB THR A 43 108.426 -2.059 23.110 1.00 2.42 H new ATOM 0 HG1 THR A 43 107.198 -0.325 24.070 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.282 -1.348 22.091 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.521 -3.104 21.925 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.404 -2.471 23.157 1.00 2.89 H new ATOM 616 N ARG A 44 106.811 -3.568 26.713 1.00 1.96 N ATOM 617 CA ARG A 44 105.769 -3.620 27.780 1.00 1.92 C ATOM 618 C ARG A 44 106.434 -3.494 29.155 1.00 1.92 C ATOM 619 O ARG A 44 106.594 -4.464 29.868 1.00 2.18 O ATOM 620 CB ARG A 44 105.008 -4.950 27.702 1.00 2.09 C ATOM 621 CG ARG A 44 105.994 -6.102 27.471 1.00 2.62 C ATOM 622 CD ARG A 44 105.340 -7.428 27.873 1.00 3.00 C ATOM 623 NE ARG A 44 104.008 -7.545 27.216 1.00 3.63 N ATOM 624 CZ ARG A 44 103.405 -8.701 27.167 1.00 4.14 C ATOM 625 NH1 ARG A 44 103.972 -9.756 27.686 1.00 4.51 N ATOM 626 NH2 ARG A 44 102.235 -8.803 26.599 1.00 4.63 N ATOM 0 H ARG A 44 107.771 -3.487 27.049 1.00 1.96 H new ATOM 0 HA ARG A 44 105.070 -2.796 27.636 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.452 -5.115 28.625 1.00 2.09 H new ATOM 0 HB3 ARG A 44 104.279 -4.915 26.892 1.00 2.09 H new ATOM 0 HG2 ARG A 44 106.291 -6.135 26.423 1.00 2.62 H new ATOM 0 HG3 ARG A 44 106.900 -5.941 28.054 1.00 2.62 H new ATOM 0 HD2 ARG A 44 105.976 -8.263 27.580 1.00 3.00 H new ATOM 0 HD3 ARG A 44 105.229 -7.477 28.956 1.00 3.00 H new ATOM 0 HE ARG A 44 103.568 -6.722 26.805 1.00 3.63 H new ATOM 0 HH11 ARG A 44 104.887 -9.677 28.130 1.00 4.51 H new ATOM 0 HH12 ARG A 44 103.500 -10.660 27.647 1.00 4.51 H new ATOM 0 HH21 ARG A 44 101.792 -7.979 26.193 1.00 4.63 H new ATOM 0 HH22 ARG A 44 101.764 -9.707 26.561 1.00 4.63 H new ATOM 640 N GLU A 45 106.817 -2.305 29.535 1.00 1.87 N ATOM 641 CA GLU A 45 107.466 -2.120 30.865 1.00 1.94 C ATOM 642 C GLU A 45 107.334 -0.658 31.299 1.00 1.84 C ATOM 643 O GLU A 45 106.878 -0.365 32.386 1.00 1.87 O ATOM 644 CB GLU A 45 108.950 -2.499 30.775 1.00 2.09 C ATOM 645 CG GLU A 45 109.503 -2.746 32.181 1.00 2.37 C ATOM 646 CD GLU A 45 110.987 -3.107 32.092 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.744 -2.297 31.583 1.00 2.89 O ATOM 648 OE2 GLU A 45 111.341 -4.188 32.533 1.00 2.73 O ATOM 0 H GLU A 45 106.709 -1.454 28.983 1.00 1.87 H new ATOM 0 HA GLU A 45 106.976 -2.762 31.598 1.00 1.94 H new ATOM 0 HB2 GLU A 45 109.071 -3.393 30.163 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.511 -1.701 30.288 1.00 2.09 H new ATOM 0 HG2 GLU A 45 109.371 -1.856 32.796 1.00 2.37 H new ATOM 0 HG3 GLU A 45 108.950 -3.552 32.664 1.00 2.37 H new ATOM 655 N ALA A 46 107.726 0.266 30.461 1.00 1.74 N ATOM 656 CA ALA A 46 107.613 1.701 30.843 1.00 1.71 C ATOM 657 C ALA A 46 106.145 2.034 31.096 1.00 1.64 C ATOM 658 O ALA A 46 105.792 2.602 32.109 1.00 1.71 O ATOM 659 CB ALA A 46 108.152 2.588 29.718 1.00 1.66 C ATOM 0 H ALA A 46 108.117 0.089 29.535 1.00 1.74 H new ATOM 0 HA ALA A 46 108.196 1.882 31.746 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.065 3.635 30.007 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.199 2.348 29.535 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.576 2.413 28.809 1.00 1.66 H new ATOM 665 N GLY A 47 105.285 1.680 30.179 1.00 1.60 N ATOM 666 CA GLY A 47 103.835 1.969 30.361 1.00 1.58 C ATOM 667 C GLY A 47 103.186 2.201 28.994 1.00 1.42 C ATOM 668 O GLY A 47 103.856 2.478 28.019 1.00 1.37 O ATOM 0 H GLY A 47 105.526 1.202 29.310 1.00 1.60 H new ATOM 0 HA2 GLY A 47 103.348 1.137 30.870 1.00 1.58 H new ATOM 0 HA3 GLY A 47 103.705 2.849 30.991 1.00 1.58 H new ATOM 672 N ALA A 48 101.888 2.090 28.913 1.00 1.40 N ATOM 673 CA ALA A 48 101.203 2.304 27.607 1.00 1.27 C ATOM 674 C ALA A 48 101.610 3.664 27.037 1.00 1.21 C ATOM 675 O ALA A 48 102.093 4.525 27.746 1.00 1.37 O ATOM 676 CB ALA A 48 99.687 2.271 27.813 1.00 1.32 C ATOM 0 H ALA A 48 101.273 1.861 29.694 1.00 1.40 H new ATOM 0 HA ALA A 48 101.492 1.516 26.912 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.186 2.428 26.857 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.396 1.303 28.221 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.397 3.059 28.508 1.00 1.32 H new ATOM 682 N GLY A 49 101.421 3.866 25.762 1.00 1.04 N ATOM 683 CA GLY A 49 101.801 5.171 25.153 1.00 1.02 C ATOM 684 C GLY A 49 101.356 5.210 23.690 1.00 0.87 C ATOM 685 O GLY A 49 100.216 4.937 23.368 1.00 0.71 O ATOM 0 H GLY A 49 101.021 3.185 25.117 1.00 1.04 H new ATOM 0 HA2 GLY A 49 101.338 5.989 25.705 1.00 1.02 H new ATOM 0 HA3 GLY A 49 102.880 5.313 25.218 1.00 1.02 H new ATOM 689 N GLY A 50 102.248 5.548 22.799 1.00 0.98 N ATOM 690 CA GLY A 50 101.878 5.609 21.357 1.00 0.86 C ATOM 691 C GLY A 50 103.136 5.472 20.499 1.00 0.86 C ATOM 692 O GLY A 50 104.094 6.202 20.661 1.00 1.06 O ATOM 0 H GLY A 50 103.218 5.785 23.008 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.174 4.812 21.118 1.00 0.86 H new ATOM 0 HA3 GLY A 50 101.378 6.553 21.139 1.00 0.86 H new ATOM 696 N LEU A 51 103.140 4.540 19.583 1.00 0.74 N ATOM 697 CA LEU A 51 104.331 4.346 18.702 1.00 0.75 C ATOM 698 C LEU A 51 104.089 5.054 17.374 1.00 0.68 C ATOM 699 O LEU A 51 103.393 4.544 16.508 1.00 0.60 O ATOM 700 CB LEU A 51 104.533 2.846 18.453 1.00 0.74 C ATOM 701 CG LEU A 51 105.873 2.596 17.731 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.030 2.573 18.739 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.822 1.247 17.006 1.00 0.77 C ATOM 0 H LEU A 51 102.365 3.901 19.406 1.00 0.74 H new ATOM 0 HA LEU A 51 105.219 4.759 19.180 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.518 2.308 19.401 1.00 0.74 H new ATOM 0 HB3 LEU A 51 103.711 2.457 17.852 1.00 0.74 H new ATOM 0 HG LEU A 51 106.036 3.402 17.015 1.00 0.81 H new ATOM 0 HD11 LEU A 51 107.968 2.396 18.213 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.080 3.531 19.257 1.00 1.10 H new ATOM 0 HD13 LEU A 51 106.865 1.776 19.464 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.769 1.072 16.496 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.647 0.451 17.730 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.013 1.257 16.275 1.00 0.77 H new ATOM 715 N SER A 52 104.654 6.229 17.201 1.00 0.75 N ATOM 716 CA SER A 52 104.461 6.966 15.936 1.00 0.71 C ATOM 717 C SER A 52 105.546 6.534 14.947 1.00 0.70 C ATOM 718 O SER A 52 106.668 6.300 15.338 1.00 0.78 O ATOM 719 CB SER A 52 104.570 8.470 16.195 1.00 0.82 C ATOM 720 OG SER A 52 104.978 9.125 15.001 1.00 1.56 O ATOM 0 H SER A 52 105.240 6.699 17.891 1.00 0.75 H new ATOM 0 HA SER A 52 103.475 6.748 15.525 1.00 0.71 H new ATOM 0 HB2 SER A 52 103.610 8.863 16.529 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.288 8.662 16.992 1.00 0.82 H new ATOM 0 HG SER A 52 104.196 9.288 14.434 1.00 1.56 H new ATOM 726 N ILE A 53 105.233 6.416 13.675 1.00 0.61 N ATOM 727 CA ILE A 53 106.263 5.987 12.680 1.00 0.61 C ATOM 728 C ILE A 53 106.200 6.891 11.448 1.00 0.57 C ATOM 729 O ILE A 53 105.296 6.797 10.641 1.00 0.65 O ATOM 730 CB ILE A 53 105.990 4.542 12.256 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.089 3.625 13.479 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.024 4.117 11.211 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.605 2.221 13.109 1.00 0.64 C ATOM 0 H ILE A 53 104.308 6.599 13.287 1.00 0.61 H new ATOM 0 HA ILE A 53 107.251 6.059 13.134 1.00 0.61 H new ATOM 0 HB ILE A 53 104.990 4.468 11.829 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.119 3.584 13.833 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.487 4.025 14.295 1.00 0.64 H new ATOM 0 HG21 ILE A 53 106.832 3.088 10.907 1.00 0.63 H new ATOM 0 HG22 ILE A 53 106.953 4.771 10.342 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.024 4.189 11.639 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.676 1.570 13.980 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.568 2.270 12.776 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.225 1.822 12.306 1.00 0.64 H new ATOM 745 N ALA A 54 107.165 7.758 11.289 1.00 0.60 N ATOM 746 CA ALA A 54 107.183 8.661 10.104 1.00 0.57 C ATOM 747 C ALA A 54 108.083 8.039 9.041 1.00 0.54 C ATOM 748 O ALA A 54 109.292 8.033 9.161 1.00 0.63 O ATOM 749 CB ALA A 54 107.740 10.028 10.510 1.00 0.69 C ATOM 0 H ALA A 54 107.946 7.879 11.934 1.00 0.60 H new ATOM 0 HA ALA A 54 106.173 8.791 9.714 1.00 0.57 H new ATOM 0 HB1 ALA A 54 107.753 10.688 9.643 1.00 0.69 H new ATOM 0 HB2 ALA A 54 107.110 10.462 11.287 1.00 0.69 H new ATOM 0 HB3 ALA A 54 108.755 9.909 10.890 1.00 0.69 H new ATOM 755 N VAL A 55 107.500 7.503 8.005 1.00 0.45 N ATOM 756 CA VAL A 55 108.311 6.864 6.929 1.00 0.47 C ATOM 757 C VAL A 55 108.569 7.874 5.810 1.00 0.41 C ATOM 758 O VAL A 55 107.728 8.688 5.481 1.00 0.39 O ATOM 759 CB VAL A 55 107.547 5.649 6.356 1.00 0.47 C ATOM 760 CG1 VAL A 55 107.925 4.376 7.124 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.035 5.882 6.483 1.00 0.79 C ATOM 0 H VAL A 55 106.491 7.480 7.856 1.00 0.45 H new ATOM 0 HA VAL A 55 109.262 6.533 7.346 1.00 0.47 H new ATOM 0 HB VAL A 55 107.816 5.530 5.306 1.00 0.47 H new ATOM 0 HG11 VAL A 55 107.380 3.527 6.711 1.00 0.91 H new ATOM 0 HG12 VAL A 55 108.997 4.200 7.031 1.00 0.91 H new ATOM 0 HG13 VAL A 55 107.667 4.496 8.176 1.00 0.91 H new ATOM 0 HG21 VAL A 55 105.499 5.023 6.078 1.00 0.79 H new ATOM 0 HG22 VAL A 55 105.774 6.010 7.533 1.00 0.79 H new ATOM 0 HG23 VAL A 55 105.757 6.778 5.928 1.00 0.79 H new ATOM 771 N GLU A 56 109.725 7.805 5.210 1.00 0.44 N ATOM 772 CA GLU A 56 110.058 8.728 4.089 1.00 0.40 C ATOM 773 C GLU A 56 110.836 7.922 3.043 1.00 0.43 C ATOM 774 O GLU A 56 111.585 7.025 3.374 1.00 0.52 O ATOM 775 CB GLU A 56 110.889 9.906 4.629 1.00 0.47 C ATOM 776 CG GLU A 56 111.659 10.586 3.492 1.00 0.49 C ATOM 777 CD GLU A 56 112.216 11.926 3.977 1.00 1.08 C ATOM 778 OE1 GLU A 56 112.933 11.924 4.965 1.00 1.71 O ATOM 779 OE2 GLU A 56 111.918 12.930 3.353 1.00 1.80 O ATOM 0 H GLU A 56 110.461 7.141 5.451 1.00 0.44 H new ATOM 0 HA GLU A 56 109.160 9.142 3.630 1.00 0.40 H new ATOM 0 HB2 GLU A 56 110.233 10.629 5.115 1.00 0.47 H new ATOM 0 HB3 GLU A 56 111.587 9.549 5.386 1.00 0.47 H new ATOM 0 HG2 GLU A 56 112.472 9.943 3.155 1.00 0.49 H new ATOM 0 HG3 GLU A 56 111.001 10.742 2.637 1.00 0.49 H new ATOM 786 N GLY A 57 110.653 8.212 1.784 1.00 0.41 N ATOM 787 CA GLY A 57 111.376 7.436 0.739 1.00 0.49 C ATOM 788 C GLY A 57 110.708 7.653 -0.628 1.00 0.45 C ATOM 789 O GLY A 57 109.854 8.505 -0.760 1.00 0.44 O ATOM 0 H GLY A 57 110.038 8.948 1.436 1.00 0.41 H new ATOM 0 HA2 GLY A 57 112.419 7.749 0.698 1.00 0.49 H new ATOM 0 HA3 GLY A 57 111.371 6.376 0.992 1.00 0.49 H new ATOM 793 N PRO A 58 111.130 6.886 -1.613 1.00 0.50 N ATOM 794 CA PRO A 58 110.588 6.995 -2.986 1.00 0.52 C ATOM 795 C PRO A 58 109.092 6.666 -3.051 1.00 0.54 C ATOM 796 O PRO A 58 108.382 7.181 -3.892 1.00 0.56 O ATOM 797 CB PRO A 58 111.407 5.986 -3.816 1.00 0.63 C ATOM 798 CG PRO A 58 112.492 5.380 -2.880 1.00 0.66 C ATOM 799 CD PRO A 58 112.188 5.866 -1.447 1.00 0.60 C ATOM 0 HA PRO A 58 110.673 8.015 -3.361 1.00 0.52 H new ATOM 0 HB2 PRO A 58 110.761 5.202 -4.212 1.00 0.63 H new ATOM 0 HB3 PRO A 58 111.870 6.479 -4.670 1.00 0.63 H new ATOM 0 HG2 PRO A 58 112.476 4.291 -2.928 1.00 0.66 H new ATOM 0 HG3 PRO A 58 113.488 5.698 -3.190 1.00 0.66 H new ATOM 0 HD2 PRO A 58 111.851 5.045 -0.814 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.075 6.289 -0.976 1.00 0.60 H new ATOM 807 N SER A 59 108.603 5.817 -2.191 1.00 0.56 N ATOM 808 CA SER A 59 107.144 5.469 -2.235 1.00 0.60 C ATOM 809 C SER A 59 106.600 5.304 -0.818 1.00 0.55 C ATOM 810 O SER A 59 107.336 5.089 0.122 1.00 0.55 O ATOM 811 CB SER A 59 106.961 4.162 -3.001 1.00 0.71 C ATOM 812 OG SER A 59 105.585 3.992 -3.316 1.00 1.55 O ATOM 0 H SER A 59 109.141 5.349 -1.462 1.00 0.56 H new ATOM 0 HA SER A 59 106.601 6.272 -2.734 1.00 0.60 H new ATOM 0 HB2 SER A 59 107.556 4.176 -3.914 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.315 3.323 -2.402 1.00 0.71 H new ATOM 0 HG SER A 59 105.483 3.245 -3.942 1.00 1.55 H new ATOM 818 N LYS A 60 105.307 5.400 -0.664 1.00 0.59 N ATOM 819 CA LYS A 60 104.702 5.246 0.687 1.00 0.57 C ATOM 820 C LYS A 60 104.634 3.761 1.041 1.00 0.63 C ATOM 821 O LYS A 60 103.862 3.012 0.474 1.00 0.73 O ATOM 822 CB LYS A 60 103.289 5.834 0.682 1.00 0.63 C ATOM 823 CG LYS A 60 103.316 7.225 0.047 1.00 1.23 C ATOM 824 CD LYS A 60 101.923 7.852 0.129 1.00 1.29 C ATOM 825 CE LYS A 60 101.893 9.139 -0.697 1.00 1.87 C ATOM 826 NZ LYS A 60 100.551 9.777 -0.576 1.00 2.53 N ATOM 0 H LYS A 60 104.644 5.579 -1.418 1.00 0.59 H new ATOM 0 HA LYS A 60 105.310 5.771 1.424 1.00 0.57 H new ATOM 0 HB2 LYS A 60 102.615 5.182 0.126 1.00 0.63 H new ATOM 0 HB3 LYS A 60 102.906 5.895 1.701 1.00 0.63 H new ATOM 0 HG2 LYS A 60 104.041 7.856 0.560 1.00 1.23 H new ATOM 0 HG3 LYS A 60 103.634 7.155 -0.993 1.00 1.23 H new ATOM 0 HD2 LYS A 60 101.175 7.152 -0.242 1.00 1.29 H new ATOM 0 HD3 LYS A 60 101.670 8.068 1.167 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.666 9.825 -0.350 1.00 1.87 H new ATOM 0 HE3 LYS A 60 102.109 8.918 -1.742 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 100.531 10.652 -1.138 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 99.823 9.123 -0.927 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 100.362 10.002 0.422 1.00 2.53 H new ATOM 840 N ALA A 61 105.437 3.327 1.971 1.00 0.66 N ATOM 841 CA ALA A 61 105.417 1.890 2.354 1.00 0.76 C ATOM 842 C ALA A 61 104.193 1.609 3.227 1.00 0.77 C ATOM 843 O ALA A 61 103.806 2.415 4.050 1.00 0.78 O ATOM 844 CB ALA A 61 106.689 1.553 3.135 1.00 0.82 C ATOM 0 H ALA A 61 106.105 3.905 2.481 1.00 0.66 H new ATOM 0 HA ALA A 61 105.368 1.276 1.455 1.00 0.76 H new ATOM 0 HB1 ALA A 61 106.675 0.500 3.416 1.00 0.82 H new ATOM 0 HB2 ALA A 61 107.561 1.751 2.512 1.00 0.82 H new ATOM 0 HB3 ALA A 61 106.738 2.168 4.034 1.00 0.82 H new ATOM 850 N GLU A 62 103.582 0.468 3.055 1.00 0.88 N ATOM 851 CA GLU A 62 102.384 0.126 3.876 1.00 0.93 C ATOM 852 C GLU A 62 102.852 -0.399 5.236 1.00 0.96 C ATOM 853 O GLU A 62 104.022 -0.603 5.450 1.00 1.43 O ATOM 854 CB GLU A 62 101.557 -0.950 3.151 1.00 1.11 C ATOM 855 CG GLU A 62 100.108 -0.941 3.655 1.00 1.50 C ATOM 856 CD GLU A 62 99.256 -1.845 2.762 1.00 1.72 C ATOM 857 OE1 GLU A 62 98.806 -1.373 1.731 1.00 2.30 O ATOM 858 OE2 GLU A 62 99.068 -2.995 3.124 1.00 2.14 O ATOM 0 H GLU A 62 103.861 -0.244 2.380 1.00 0.88 H new ATOM 0 HA GLU A 62 101.763 1.010 4.021 1.00 0.93 H new ATOM 0 HB2 GLU A 62 101.576 -0.769 2.076 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.000 -1.932 3.317 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.068 -1.288 4.687 1.00 1.50 H new ATOM 0 HG3 GLU A 62 99.714 0.075 3.645 1.00 1.50 H new ATOM 865 N ILE A 63 101.946 -0.614 6.152 1.00 0.97 N ATOM 866 CA ILE A 63 102.324 -1.127 7.507 1.00 0.94 C ATOM 867 C ILE A 63 101.271 -2.152 7.945 1.00 1.01 C ATOM 868 O ILE A 63 100.139 -2.109 7.505 1.00 1.06 O ATOM 869 CB ILE A 63 102.357 0.037 8.514 1.00 0.89 C ATOM 870 CG1 ILE A 63 103.573 0.948 8.232 1.00 1.06 C ATOM 871 CG2 ILE A 63 102.466 -0.522 9.937 1.00 1.28 C ATOM 872 CD1 ILE A 63 103.319 1.877 7.029 1.00 1.40 C ATOM 0 H ILE A 63 100.947 -0.455 6.020 1.00 0.97 H new ATOM 0 HA ILE A 63 103.310 -1.589 7.470 1.00 0.94 H new ATOM 0 HB ILE A 63 101.441 0.619 8.413 1.00 0.89 H new ATOM 0 HG12 ILE A 63 103.792 1.548 9.116 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.452 0.333 8.038 1.00 1.06 H new ATOM 0 HG21 ILE A 63 102.489 0.302 10.651 1.00 1.28 H new ATOM 0 HG22 ILE A 63 101.606 -1.158 10.145 1.00 1.28 H new ATOM 0 HG23 ILE A 63 103.381 -1.108 10.029 1.00 1.28 H new ATOM 0 HD11 ILE A 63 104.196 2.503 6.861 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.126 1.277 6.140 1.00 1.40 H new ATOM 0 HD13 ILE A 63 102.456 2.510 7.234 1.00 1.40 H new ATOM 884 N ALA A 64 101.622 -3.079 8.805 1.00 1.04 N ATOM 885 CA ALA A 64 100.620 -4.092 9.247 1.00 1.13 C ATOM 886 C ALA A 64 100.958 -4.562 10.667 1.00 1.14 C ATOM 887 O ALA A 64 101.978 -5.179 10.900 1.00 1.36 O ATOM 888 CB ALA A 64 100.641 -5.280 8.271 1.00 1.26 C ATOM 0 H ALA A 64 102.551 -3.175 9.215 1.00 1.04 H new ATOM 0 HA ALA A 64 99.623 -3.652 9.253 1.00 1.13 H new ATOM 0 HB1 ALA A 64 99.911 -6.024 8.588 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.392 -4.932 7.269 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.635 -5.727 8.263 1.00 1.26 H new ATOM 894 N PHE A 65 100.105 -4.279 11.618 1.00 1.16 N ATOM 895 CA PHE A 65 100.370 -4.713 13.024 1.00 1.16 C ATOM 896 C PHE A 65 99.692 -6.062 13.278 1.00 1.28 C ATOM 897 O PHE A 65 98.490 -6.193 13.160 1.00 1.35 O ATOM 898 CB PHE A 65 99.804 -3.669 13.992 1.00 1.11 C ATOM 899 CG PHE A 65 98.331 -3.476 13.722 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.913 -2.570 12.739 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.384 -4.201 14.454 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.548 -2.391 12.489 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.018 -4.021 14.203 1.00 1.43 C ATOM 904 CZ PHE A 65 95.600 -3.116 13.221 1.00 1.47 C ATOM 0 H PHE A 65 99.235 -3.765 11.482 1.00 1.16 H new ATOM 0 HA PHE A 65 101.444 -4.811 13.179 1.00 1.16 H new ATOM 0 HB2 PHE A 65 99.956 -3.992 15.022 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.333 -2.723 13.873 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.644 -2.010 12.174 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.706 -4.899 15.212 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.225 -1.693 11.731 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.287 -4.581 14.768 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.547 -2.977 13.028 1.00 1.47 H new ATOM 914 N GLU A 66 100.454 -7.069 13.624 1.00 1.35 N ATOM 915 CA GLU A 66 99.857 -8.417 13.885 1.00 1.50 C ATOM 916 C GLU A 66 100.570 -9.074 15.069 1.00 1.54 C ATOM 917 O GLU A 66 101.668 -9.577 14.943 1.00 1.61 O ATOM 918 CB GLU A 66 100.023 -9.296 12.643 1.00 1.62 C ATOM 919 CG GLU A 66 99.292 -10.623 12.855 1.00 1.80 C ATOM 920 CD GLU A 66 99.414 -11.482 11.595 1.00 1.94 C ATOM 921 OE1 GLU A 66 99.367 -10.921 10.513 1.00 2.51 O ATOM 922 OE2 GLU A 66 99.553 -12.686 11.734 1.00 2.01 O ATOM 0 H GLU A 66 101.466 -7.017 13.738 1.00 1.35 H new ATOM 0 HA GLU A 66 98.798 -8.305 14.116 1.00 1.50 H new ATOM 0 HB2 GLU A 66 99.624 -8.785 11.767 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.081 -9.478 12.452 1.00 1.62 H new ATOM 0 HG2 GLU A 66 99.715 -11.151 13.710 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.242 -10.439 13.082 1.00 1.80 H new ATOM 1006 N SER A 72 104.644 -9.947 21.741 1.00 1.78 N ATOM 1007 CA SER A 72 105.588 -9.304 20.777 1.00 1.72 C ATOM 1008 C SER A 72 104.783 -8.690 19.633 1.00 1.60 C ATOM 1009 O SER A 72 103.992 -9.353 18.992 1.00 1.64 O ATOM 1010 CB SER A 72 106.543 -10.360 20.218 1.00 1.82 C ATOM 1011 OG SER A 72 107.037 -11.158 21.286 1.00 2.20 O ATOM 0 HA SER A 72 106.164 -8.529 21.283 1.00 1.72 H new ATOM 0 HB2 SER A 72 106.026 -10.985 19.490 1.00 1.82 H new ATOM 0 HB3 SER A 72 107.370 -9.879 19.695 1.00 1.82 H new ATOM 0 HG SER A 72 106.356 -11.223 21.988 1.00 2.20 H new ATOM 1017 N CYS A 73 104.969 -7.423 19.374 1.00 1.50 N ATOM 1018 CA CYS A 73 104.201 -6.766 18.273 1.00 1.40 C ATOM 1019 C CYS A 73 104.954 -6.925 16.950 1.00 1.37 C ATOM 1020 O CYS A 73 106.117 -6.588 16.842 1.00 1.39 O ATOM 1021 CB CYS A 73 104.028 -5.279 18.590 1.00 1.31 C ATOM 1022 SG CYS A 73 102.787 -4.567 17.481 1.00 2.05 S ATOM 0 H CYS A 73 105.617 -6.815 19.875 1.00 1.50 H new ATOM 0 HA CYS A 73 103.221 -7.236 18.186 1.00 1.40 H new ATOM 0 HB2 CYS A 73 103.720 -5.151 19.628 1.00 1.31 H new ATOM 0 HB3 CYS A 73 104.978 -4.758 18.472 1.00 1.31 H new ATOM 0 HG CYS A 73 102.637 -3.304 17.751 1.00 2.05 H new ATOM 1028 N GLY A 74 104.293 -7.438 15.942 1.00 1.39 N ATOM 1029 CA GLY A 74 104.950 -7.630 14.609 1.00 1.38 C ATOM 1030 C GLY A 74 104.450 -6.564 13.633 1.00 1.28 C ATOM 1031 O GLY A 74 103.276 -6.491 13.328 1.00 1.26 O ATOM 0 H GLY A 74 103.318 -7.735 15.985 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.033 -7.563 14.713 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.728 -8.625 14.222 1.00 1.38 H new ATOM 1035 N VAL A 75 105.337 -5.737 13.140 1.00 1.25 N ATOM 1036 CA VAL A 75 104.929 -4.661 12.175 1.00 1.16 C ATOM 1037 C VAL A 75 105.385 -5.042 10.766 1.00 1.20 C ATOM 1038 O VAL A 75 106.552 -4.974 10.435 1.00 1.25 O ATOM 1039 CB VAL A 75 105.579 -3.339 12.599 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.026 -2.197 11.744 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.259 -3.068 14.076 1.00 1.57 C ATOM 0 H VAL A 75 106.332 -5.758 13.363 1.00 1.25 H new ATOM 0 HA VAL A 75 103.845 -4.548 12.177 1.00 1.16 H new ATOM 0 HB VAL A 75 106.658 -3.405 12.462 1.00 1.11 H new ATOM 0 HG11 VAL A 75 105.489 -1.258 12.047 1.00 1.31 H new ATOM 0 HG12 VAL A 75 105.247 -2.388 10.694 1.00 1.31 H new ATOM 0 HG13 VAL A 75 103.947 -2.130 11.881 1.00 1.31 H new ATOM 0 HG21 VAL A 75 105.720 -2.129 14.382 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.179 -3.003 14.208 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.651 -3.880 14.688 1.00 1.57 H new ATOM 1051 N SER A 76 104.458 -5.441 9.932 1.00 1.22 N ATOM 1052 CA SER A 76 104.802 -5.831 8.533 1.00 1.29 C ATOM 1053 C SER A 76 104.567 -4.633 7.610 1.00 1.19 C ATOM 1054 O SER A 76 103.602 -3.914 7.751 1.00 1.20 O ATOM 1055 CB SER A 76 103.910 -7.007 8.105 1.00 1.40 C ATOM 1056 OG SER A 76 103.537 -6.853 6.741 1.00 1.85 O ATOM 0 H SER A 76 103.467 -5.513 10.165 1.00 1.22 H new ATOM 0 HA SER A 76 105.848 -6.133 8.473 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.442 -7.948 8.243 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.020 -7.049 8.733 1.00 1.40 H new ATOM 0 HG SER A 76 102.970 -7.605 6.470 1.00 1.85 H new ATOM 1062 N TYR A 77 105.448 -4.411 6.669 1.00 1.21 N ATOM 1063 CA TYR A 77 105.288 -3.253 5.734 1.00 1.12 C ATOM 1064 C TYR A 77 105.637 -3.699 4.315 1.00 1.20 C ATOM 1065 O TYR A 77 106.103 -4.801 4.103 1.00 1.43 O ATOM 1066 CB TYR A 77 106.251 -2.134 6.149 1.00 1.07 C ATOM 1067 CG TYR A 77 107.671 -2.639 6.094 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.358 -2.648 4.875 1.00 1.18 C ATOM 1069 CD2 TYR A 77 108.302 -3.088 7.258 1.00 1.33 C ATOM 1070 CE1 TYR A 77 109.679 -3.107 4.820 1.00 1.28 C ATOM 1071 CE2 TYR A 77 109.623 -3.548 7.202 1.00 1.47 C ATOM 1072 CZ TYR A 77 110.311 -3.557 5.983 1.00 1.39 C ATOM 1073 OH TYR A 77 111.613 -4.008 5.929 1.00 1.54 O ATOM 0 H TYR A 77 106.276 -4.984 6.506 1.00 1.21 H new ATOM 0 HA TYR A 77 104.259 -2.894 5.770 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.134 -1.276 5.487 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.015 -1.793 7.157 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.869 -2.301 3.977 1.00 1.18 H new ATOM 0 HD2 TYR A 77 107.771 -3.080 8.199 1.00 1.33 H new ATOM 0 HE1 TYR A 77 110.210 -3.114 3.880 1.00 1.28 H new ATOM 0 HE2 TYR A 77 110.112 -3.896 8.100 1.00 1.47 H new ATOM 0 HH TYR A 77 112.142 -3.565 6.625 1.00 1.54 H new ATOM 1083 N VAL A 78 105.424 -2.848 3.339 1.00 1.13 N ATOM 1084 CA VAL A 78 105.758 -3.229 1.923 1.00 1.21 C ATOM 1085 C VAL A 78 106.410 -2.044 1.202 1.00 1.14 C ATOM 1086 O VAL A 78 105.828 -0.988 1.064 1.00 1.11 O ATOM 1087 CB VAL A 78 104.480 -3.659 1.184 1.00 1.29 C ATOM 1088 CG1 VAL A 78 103.606 -2.436 0.874 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.857 -4.361 -0.126 1.00 1.90 C ATOM 0 H VAL A 78 105.036 -1.912 3.457 1.00 1.13 H new ATOM 0 HA VAL A 78 106.459 -4.063 1.934 1.00 1.21 H new ATOM 0 HB VAL A 78 103.919 -4.343 1.821 1.00 1.29 H new ATOM 0 HG11 VAL A 78 102.705 -2.756 0.351 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.329 -1.942 1.805 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.163 -1.741 0.246 1.00 1.81 H new ATOM 0 HG21 VAL A 78 103.951 -4.666 -0.649 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.427 -3.677 -0.755 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.462 -5.241 0.094 1.00 1.90 H new ATOM 1099 N VAL A 79 107.621 -2.221 0.737 1.00 1.17 N ATOM 1100 CA VAL A 79 108.327 -1.120 0.016 1.00 1.11 C ATOM 1101 C VAL A 79 108.004 -1.215 -1.476 1.00 1.15 C ATOM 1102 O VAL A 79 107.528 -2.227 -1.944 1.00 1.24 O ATOM 1103 CB VAL A 79 109.834 -1.263 0.233 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.185 -0.822 1.661 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.238 -2.727 0.034 1.00 1.27 C ATOM 0 H VAL A 79 108.153 -3.086 0.827 1.00 1.17 H new ATOM 0 HA VAL A 79 108.000 -0.152 0.396 1.00 1.11 H new ATOM 0 HB VAL A 79 110.370 -0.638 -0.482 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.259 -0.923 1.819 1.00 1.13 H new ATOM 0 HG12 VAL A 79 109.893 0.219 1.802 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.652 -1.449 2.377 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.312 -2.832 0.188 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.706 -3.352 0.751 1.00 1.27 H new ATOM 0 HG23 VAL A 79 109.984 -3.040 -0.979 1.00 1.27 H new ATOM 1115 N GLN A 80 108.241 -0.166 -2.226 1.00 1.10 N ATOM 1116 CA GLN A 80 107.922 -0.192 -3.692 1.00 1.15 C ATOM 1117 C GLN A 80 109.195 -0.347 -4.531 1.00 1.17 C ATOM 1118 O GLN A 80 109.244 -1.147 -5.444 1.00 1.25 O ATOM 1119 CB GLN A 80 107.230 1.119 -4.073 1.00 1.11 C ATOM 1120 CG GLN A 80 106.563 0.969 -5.443 1.00 1.18 C ATOM 1121 CD GLN A 80 105.313 0.098 -5.309 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.269 -1.004 -5.819 1.00 2.47 O ATOM 1123 NE2 GLN A 80 104.287 0.548 -4.639 1.00 2.48 N ATOM 0 H GLN A 80 108.642 0.709 -1.888 1.00 1.10 H new ATOM 0 HA GLN A 80 107.271 -1.043 -3.891 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.485 1.380 -3.321 1.00 1.11 H new ATOM 0 HB3 GLN A 80 107.956 1.931 -4.098 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.296 1.949 -5.838 1.00 1.18 H new ATOM 0 HG3 GLN A 80 107.259 0.519 -6.151 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.324 1.473 -4.211 1.00 2.48 H new ATOM 0 HE22 GLN A 80 103.449 -0.025 -4.544 1.00 2.48 H new ATOM 1132 N GLU A 81 110.224 0.420 -4.258 1.00 1.11 N ATOM 1133 CA GLU A 81 111.472 0.302 -5.087 1.00 1.13 C ATOM 1134 C GLU A 81 112.711 0.806 -4.305 1.00 1.07 C ATOM 1135 O GLU A 81 112.586 1.646 -3.436 1.00 0.98 O ATOM 1136 CB GLU A 81 111.306 1.115 -6.391 1.00 1.11 C ATOM 1137 CG GLU A 81 110.275 2.216 -6.174 1.00 1.43 C ATOM 1138 CD GLU A 81 110.236 3.134 -7.396 1.00 1.37 C ATOM 1139 OE1 GLU A 81 109.930 2.643 -8.471 1.00 1.65 O ATOM 1140 OE2 GLU A 81 110.511 4.311 -7.237 1.00 1.92 O ATOM 0 H GLU A 81 110.258 1.113 -3.510 1.00 1.11 H new ATOM 0 HA GLU A 81 111.628 -0.750 -5.327 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.261 1.549 -6.686 1.00 1.11 H new ATOM 0 HB3 GLU A 81 110.989 0.460 -7.203 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.291 1.778 -6.005 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.525 2.791 -5.283 1.00 1.43 H new ATOM 1147 N PRO A 82 113.883 0.281 -4.652 1.00 1.14 N ATOM 1148 CA PRO A 82 115.158 0.662 -4.020 1.00 1.14 C ATOM 1149 C PRO A 82 115.252 2.134 -3.685 1.00 1.00 C ATOM 1150 O PRO A 82 114.569 2.974 -4.236 1.00 0.91 O ATOM 1151 CB PRO A 82 116.216 0.257 -5.047 1.00 1.23 C ATOM 1152 CG PRO A 82 115.585 -0.901 -5.833 1.00 1.30 C ATOM 1153 CD PRO A 82 114.057 -0.750 -5.698 1.00 1.26 C ATOM 0 HA PRO A 82 115.280 0.169 -3.056 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.467 1.090 -5.704 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.140 -0.054 -4.560 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.886 -0.867 -6.880 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.915 -1.862 -5.438 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.603 -0.442 -6.640 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.588 -1.691 -5.411 1.00 1.26 H new ATOM 1161 N GLY A 83 116.124 2.434 -2.770 1.00 0.99 N ATOM 1162 CA GLY A 83 116.323 3.853 -2.352 1.00 0.89 C ATOM 1163 C GLY A 83 116.714 3.904 -0.878 1.00 0.92 C ATOM 1164 O GLY A 83 117.108 2.913 -0.294 1.00 1.02 O ATOM 0 H GLY A 83 116.714 1.756 -2.288 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.100 4.316 -2.961 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.408 4.422 -2.516 1.00 0.89 H new ATOM 1168 N ASP A 84 116.602 5.058 -0.272 1.00 0.87 N ATOM 1169 CA ASP A 84 116.957 5.208 1.172 1.00 0.93 C ATOM 1170 C ASP A 84 115.679 5.448 1.976 1.00 0.83 C ATOM 1171 O ASP A 84 115.278 6.572 2.198 1.00 0.76 O ATOM 1172 CB ASP A 84 117.893 6.407 1.338 1.00 0.98 C ATOM 1173 CG ASP A 84 119.231 6.106 0.660 1.00 1.39 C ATOM 1174 OD1 ASP A 84 119.912 5.202 1.114 1.00 2.13 O ATOM 1175 OD2 ASP A 84 119.552 6.785 -0.302 1.00 2.06 O ATOM 0 H ASP A 84 116.276 5.913 -0.722 1.00 0.87 H new ATOM 0 HA ASP A 84 117.453 4.305 1.528 1.00 0.93 H new ATOM 0 HB2 ASP A 84 117.443 7.297 0.899 1.00 0.98 H new ATOM 0 HB3 ASP A 84 118.048 6.617 2.396 1.00 0.98 H new ATOM 1180 N TYR A 85 115.039 4.402 2.418 1.00 0.84 N ATOM 1181 CA TYR A 85 113.794 4.577 3.211 1.00 0.76 C ATOM 1182 C TYR A 85 114.190 5.014 4.622 1.00 0.80 C ATOM 1183 O TYR A 85 115.030 4.412 5.253 1.00 0.92 O ATOM 1184 CB TYR A 85 113.017 3.243 3.248 1.00 0.80 C ATOM 1185 CG TYR A 85 111.907 3.251 2.222 1.00 0.73 C ATOM 1186 CD1 TYR A 85 110.669 3.816 2.540 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.119 2.689 0.958 1.00 0.78 C ATOM 1188 CE1 TYR A 85 109.640 3.823 1.595 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.091 2.694 0.011 1.00 0.75 C ATOM 1190 CZ TYR A 85 109.850 3.261 0.329 1.00 0.67 C ATOM 1191 OH TYR A 85 108.834 3.267 -0.605 1.00 0.68 O ATOM 0 H TYR A 85 115.325 3.435 2.264 1.00 0.84 H new ATOM 0 HA TYR A 85 113.149 5.333 2.762 1.00 0.76 H new ATOM 0 HB2 TYR A 85 113.696 2.414 3.052 1.00 0.80 H new ATOM 0 HB3 TYR A 85 112.600 3.085 4.243 1.00 0.80 H new ATOM 0 HD1 TYR A 85 110.508 4.247 3.517 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.076 2.252 0.714 1.00 0.78 H new ATOM 0 HE1 TYR A 85 108.684 4.261 1.840 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.253 2.261 -0.965 1.00 0.75 H new ATOM 0 HH TYR A 85 107.982 3.455 -0.160 1.00 0.68 H new ATOM 1201 N GLU A 86 113.585 6.063 5.107 1.00 0.73 N ATOM 1202 CA GLU A 86 113.904 6.585 6.477 1.00 0.78 C ATOM 1203 C GLU A 86 112.715 6.295 7.391 1.00 0.74 C ATOM 1204 O GLU A 86 111.587 6.613 7.073 1.00 0.68 O ATOM 1205 CB GLU A 86 114.184 8.122 6.424 1.00 0.78 C ATOM 1206 CG GLU A 86 114.105 8.651 4.980 1.00 0.72 C ATOM 1207 CD GLU A 86 115.365 8.244 4.213 1.00 0.85 C ATOM 1208 OE1 GLU A 86 115.988 7.273 4.609 1.00 1.53 O ATOM 1209 OE2 GLU A 86 115.686 8.911 3.243 1.00 1.26 O ATOM 0 H GLU A 86 112.871 6.593 4.608 1.00 0.73 H new ATOM 0 HA GLU A 86 114.798 6.094 6.861 1.00 0.78 H new ATOM 0 HB2 GLU A 86 113.461 8.648 7.047 1.00 0.78 H new ATOM 0 HB3 GLU A 86 115.171 8.329 6.837 1.00 0.78 H new ATOM 0 HG2 GLU A 86 113.220 8.252 4.484 1.00 0.72 H new ATOM 0 HG3 GLU A 86 114.005 9.736 4.985 1.00 0.72 H new ATOM 1216 N VAL A 87 112.964 5.680 8.518 1.00 0.81 N ATOM 1217 CA VAL A 87 111.863 5.341 9.467 1.00 0.78 C ATOM 1218 C VAL A 87 112.159 5.947 10.841 1.00 0.86 C ATOM 1219 O VAL A 87 113.261 5.844 11.354 1.00 0.99 O ATOM 1220 CB VAL A 87 111.770 3.819 9.570 1.00 0.84 C ATOM 1221 CG1 VAL A 87 112.968 3.266 10.349 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.474 3.433 10.283 1.00 0.83 C ATOM 0 H VAL A 87 113.894 5.395 8.824 1.00 0.81 H new ATOM 0 HA VAL A 87 110.917 5.746 9.109 1.00 0.78 H new ATOM 0 HB VAL A 87 111.776 3.396 8.566 1.00 0.84 H new ATOM 0 HG11 VAL A 87 112.889 2.181 10.415 1.00 1.00 H new ATOM 0 HG12 VAL A 87 113.891 3.532 9.834 1.00 1.00 H new ATOM 0 HG13 VAL A 87 112.977 3.691 11.353 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.408 2.347 10.356 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.467 3.865 11.284 1.00 0.83 H new ATOM 0 HG23 VAL A 87 109.622 3.811 9.718 1.00 0.83 H new ATOM 1232 N SER A 88 111.176 6.581 11.437 1.00 0.81 N ATOM 1233 CA SER A 88 111.364 7.208 12.783 1.00 0.91 C ATOM 1234 C SER A 88 110.328 6.653 13.753 1.00 0.87 C ATOM 1235 O SER A 88 109.211 7.127 13.826 1.00 0.84 O ATOM 1236 CB SER A 88 111.193 8.723 12.666 1.00 0.94 C ATOM 1237 OG SER A 88 111.940 9.195 11.552 1.00 1.59 O ATOM 0 H SER A 88 110.242 6.691 11.043 1.00 0.81 H new ATOM 0 HA SER A 88 112.364 6.982 13.153 1.00 0.91 H new ATOM 0 HB2 SER A 88 110.139 8.973 12.544 1.00 0.94 H new ATOM 0 HB3 SER A 88 111.533 9.211 13.580 1.00 0.94 H new ATOM 0 HG SER A 88 111.831 10.166 11.473 1.00 1.59 H new ATOM 1243 N ILE A 89 110.695 5.645 14.499 1.00 0.99 N ATOM 1244 CA ILE A 89 109.748 5.031 15.475 1.00 0.98 C ATOM 1245 C ILE A 89 110.062 5.534 16.891 1.00 1.08 C ATOM 1246 O ILE A 89 111.203 5.575 17.308 1.00 1.20 O ATOM 1247 CB ILE A 89 109.882 3.500 15.393 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.062 3.014 16.255 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.104 3.099 13.930 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.420 1.564 15.906 1.00 1.29 C ATOM 0 H ILE A 89 111.620 5.217 14.473 1.00 0.99 H new ATOM 0 HA ILE A 89 108.723 5.314 15.237 1.00 0.98 H new ATOM 0 HB ILE A 89 108.970 3.038 15.771 1.00 1.03 H new ATOM 0 HG12 ILE A 89 111.927 3.657 16.094 1.00 1.19 H new ATOM 0 HG13 ILE A 89 110.803 3.087 17.311 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.200 2.016 13.860 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.255 3.427 13.330 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.014 3.569 13.558 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.256 1.237 16.524 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.559 0.922 16.091 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.700 1.501 14.855 1.00 1.29 H new ATOM 1262 N LYS A 90 109.054 5.912 17.631 1.00 1.05 N ATOM 1263 CA LYS A 90 109.265 6.407 19.015 1.00 1.16 C ATOM 1264 C LYS A 90 108.155 5.864 19.902 1.00 1.11 C ATOM 1265 O LYS A 90 106.990 6.118 19.668 1.00 1.01 O ATOM 1266 CB LYS A 90 109.170 7.931 19.026 1.00 1.22 C ATOM 1267 CG LYS A 90 107.760 8.374 18.554 1.00 1.15 C ATOM 1268 CD LYS A 90 107.859 9.688 17.758 1.00 1.34 C ATOM 1269 CE LYS A 90 108.326 9.399 16.314 1.00 1.04 C ATOM 1270 NZ LYS A 90 109.496 10.264 15.993 1.00 1.58 N ATOM 0 H LYS A 90 108.080 5.897 17.327 1.00 1.05 H new ATOM 0 HA LYS A 90 110.243 6.085 19.373 1.00 1.16 H new ATOM 0 HB2 LYS A 90 109.363 8.309 20.030 1.00 1.22 H new ATOM 0 HB3 LYS A 90 109.932 8.357 18.373 1.00 1.22 H new ATOM 0 HG2 LYS A 90 107.314 7.596 17.934 1.00 1.15 H new ATOM 0 HG3 LYS A 90 107.105 8.509 19.415 1.00 1.15 H new ATOM 0 HD2 LYS A 90 106.890 10.187 17.742 1.00 1.34 H new ATOM 0 HD3 LYS A 90 108.559 10.366 18.246 1.00 1.34 H new ATOM 0 HE2 LYS A 90 108.597 8.348 16.210 1.00 1.04 H new ATOM 0 HE3 LYS A 90 107.514 9.590 15.612 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 109.813 10.072 15.021 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 109.222 11.264 16.077 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 110.271 10.061 16.657 1.00 1.58 H new ATOM 1284 N PHE A 91 108.490 5.148 20.936 1.00 1.21 N ATOM 1285 CA PHE A 91 107.424 4.636 21.834 1.00 1.18 C ATOM 1286 C PHE A 91 107.032 5.768 22.780 1.00 1.22 C ATOM 1287 O PHE A 91 107.714 6.055 23.741 1.00 1.34 O ATOM 1288 CB PHE A 91 107.937 3.430 22.623 1.00 1.29 C ATOM 1289 CG PHE A 91 106.841 2.916 23.526 1.00 1.24 C ATOM 1290 CD1 PHE A 91 105.885 2.024 23.025 1.00 1.19 C ATOM 1291 CD2 PHE A 91 106.779 3.331 24.862 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.868 1.546 23.860 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.762 2.853 25.697 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.806 1.960 25.195 1.00 1.24 C ATOM 0 H PHE A 91 109.444 4.898 21.196 1.00 1.21 H new ATOM 0 HA PHE A 91 106.558 4.312 21.257 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.258 2.644 21.939 1.00 1.29 H new ATOM 0 HB3 PHE A 91 108.808 3.713 23.215 1.00 1.29 H new ATOM 0 HD1 PHE A 91 105.932 1.705 21.994 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.516 4.020 25.248 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.131 0.857 23.474 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.714 3.172 26.728 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.021 1.591 25.839 1.00 1.24 H new ATOM 1304 N ASN A 92 105.950 6.434 22.491 1.00 1.15 N ATOM 1305 CA ASN A 92 105.513 7.570 23.348 1.00 1.23 C ATOM 1306 C ASN A 92 106.490 8.743 23.176 1.00 1.32 C ATOM 1307 O ASN A 92 106.776 9.458 24.113 1.00 1.42 O ATOM 1308 CB ASN A 92 105.468 7.126 24.823 1.00 1.32 C ATOM 1309 CG ASN A 92 104.441 7.966 25.591 1.00 1.74 C ATOM 1310 OD1 ASN A 92 103.331 8.157 25.135 1.00 2.32 O ATOM 1311 ND2 ASN A 92 104.769 8.479 26.745 1.00 2.24 N ATOM 0 H ASN A 92 105.346 6.239 21.693 1.00 1.15 H new ATOM 0 HA ASN A 92 104.515 7.889 23.049 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.206 6.070 24.886 1.00 1.32 H new ATOM 0 HB3 ASN A 92 106.453 7.238 25.275 1.00 1.32 H new ATOM 0 HD21 ASN A 92 104.094 9.040 27.264 1.00 2.24 H new ATOM 0 HD22 ASN A 92 105.701 8.319 27.128 1.00 2.24 H new ATOM 1318 N ASP A 93 106.991 8.942 21.978 1.00 1.28 N ATOM 1319 CA ASP A 93 107.942 10.068 21.708 1.00 1.37 C ATOM 1320 C ASP A 93 109.361 9.724 22.157 1.00 1.45 C ATOM 1321 O ASP A 93 110.210 10.591 22.218 1.00 1.53 O ATOM 1322 CB ASP A 93 107.488 11.354 22.406 1.00 1.46 C ATOM 1323 CG ASP A 93 105.961 11.449 22.377 1.00 1.46 C ATOM 1324 OD1 ASP A 93 105.367 10.852 21.495 1.00 1.92 O ATOM 1325 OD2 ASP A 93 105.413 12.117 23.238 1.00 1.83 O ATOM 0 H ASP A 93 106.778 8.363 21.166 1.00 1.28 H new ATOM 0 HA ASP A 93 107.944 10.227 20.630 1.00 1.37 H new ATOM 0 HB2 ASP A 93 107.842 11.364 23.437 1.00 1.46 H new ATOM 0 HB3 ASP A 93 107.925 12.221 21.911 1.00 1.46 H new ATOM 1330 N GLU A 94 109.652 8.473 22.431 1.00 1.43 N ATOM 1331 CA GLU A 94 111.051 8.110 22.827 1.00 1.53 C ATOM 1332 C GLU A 94 111.729 7.511 21.596 1.00 1.52 C ATOM 1333 O GLU A 94 111.570 6.351 21.275 1.00 1.48 O ATOM 1334 CB GLU A 94 111.046 7.126 24.011 1.00 1.56 C ATOM 1335 CG GLU A 94 110.448 5.758 23.612 1.00 1.95 C ATOM 1336 CD GLU A 94 111.566 4.749 23.313 1.00 1.88 C ATOM 1337 OE1 GLU A 94 112.656 5.184 22.986 1.00 2.25 O ATOM 1338 OE2 GLU A 94 111.311 3.563 23.422 1.00 2.24 O ATOM 0 H GLU A 94 108.991 7.697 22.398 1.00 1.43 H new ATOM 0 HA GLU A 94 111.601 8.990 23.162 1.00 1.53 H new ATOM 0 HB2 GLU A 94 112.065 6.987 24.373 1.00 1.56 H new ATOM 0 HB3 GLU A 94 110.470 7.549 24.834 1.00 1.56 H new ATOM 0 HG2 GLU A 94 109.816 5.382 24.417 1.00 1.95 H new ATOM 0 HG3 GLU A 94 109.811 5.875 22.735 1.00 1.95 H new ATOM 1345 N HIS A 95 112.445 8.328 20.873 1.00 1.59 N ATOM 1346 CA HIS A 95 113.107 7.857 19.626 1.00 1.59 C ATOM 1347 C HIS A 95 114.204 6.840 19.934 1.00 1.71 C ATOM 1348 O HIS A 95 115.247 7.167 20.465 1.00 1.86 O ATOM 1349 CB HIS A 95 113.710 9.057 18.889 1.00 1.65 C ATOM 1350 CG HIS A 95 114.780 9.707 19.731 1.00 1.94 C ATOM 1351 ND1 HIS A 95 115.033 9.697 21.083 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 115.764 10.508 19.171 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 116.153 10.477 21.356 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 116.554 10.941 20.170 1.00 2.88 N flip ATOM 0 H HIS A 95 112.600 9.311 21.096 1.00 1.59 H new ATOM 0 HA HIS A 95 112.359 7.371 19.000 1.00 1.59 H new ATOM 0 HB2 HIS A 95 114.133 8.733 17.938 1.00 1.65 H new ATOM 0 HB3 HIS A 95 112.928 9.781 18.660 1.00 1.65 H new ATOM 0 HD2 HIS A 95 115.876 10.742 18.123 1.00 2.62 H new ATOM 0 HE1 HIS A 95 116.601 10.666 22.320 1.00 2.68 H new ATOM 0 HE2 HIS A 95 117.361 11.550 20.038 1.00 2.88 H new ATOM 1362 N ILE A 96 113.983 5.607 19.574 1.00 1.67 N ATOM 1363 CA ILE A 96 115.018 4.558 19.810 1.00 1.82 C ATOM 1364 C ILE A 96 116.360 5.088 19.246 1.00 1.88 C ATOM 1365 O ILE A 96 116.359 5.652 18.168 1.00 1.77 O ATOM 1366 CB ILE A 96 114.606 3.278 19.047 1.00 1.82 C ATOM 1367 CG1 ILE A 96 113.090 3.069 19.152 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.315 2.050 19.623 1.00 2.35 C ATOM 1369 CD1 ILE A 96 112.636 3.183 20.611 1.00 2.27 C ATOM 0 H ILE A 96 113.128 5.278 19.125 1.00 1.67 H new ATOM 0 HA ILE A 96 115.116 4.331 20.872 1.00 1.82 H new ATOM 0 HB ILE A 96 114.894 3.401 18.003 1.00 1.82 H new ATOM 0 HG12 ILE A 96 112.571 3.810 18.544 1.00 1.98 H new ATOM 0 HG13 ILE A 96 112.823 2.089 18.757 1.00 1.98 H new ATOM 0 HG21 ILE A 96 115.010 1.161 19.071 1.00 2.35 H new ATOM 0 HG22 ILE A 96 116.394 2.179 19.536 1.00 2.35 H new ATOM 0 HG23 ILE A 96 115.047 1.934 20.673 1.00 2.35 H new ATOM 0 HD11 ILE A 96 111.558 3.032 20.669 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.141 2.425 21.210 1.00 2.27 H new ATOM 0 HD13 ILE A 96 112.885 4.173 20.993 1.00 2.27 H new ATOM 1381 N PRO A 97 117.471 4.910 19.951 1.00 2.08 N ATOM 1382 CA PRO A 97 118.770 5.400 19.447 1.00 2.18 C ATOM 1383 C PRO A 97 118.916 5.053 17.959 1.00 2.06 C ATOM 1384 O PRO A 97 119.721 5.623 17.250 1.00 2.32 O ATOM 1385 CB PRO A 97 119.822 4.695 20.328 1.00 2.43 C ATOM 1386 CG PRO A 97 119.063 4.091 21.546 1.00 2.48 C ATOM 1387 CD PRO A 97 117.548 4.222 21.259 1.00 2.25 C ATOM 0 HA PRO A 97 118.879 6.483 19.508 1.00 2.18 H new ATOM 0 HB2 PRO A 97 120.334 3.914 19.767 1.00 2.43 H new ATOM 0 HB3 PRO A 97 120.583 5.401 20.659 1.00 2.43 H new ATOM 0 HG2 PRO A 97 119.337 3.046 21.689 1.00 2.48 H new ATOM 0 HG3 PRO A 97 119.327 4.618 22.463 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.066 3.245 21.221 1.00 2.25 H new ATOM 0 HD3 PRO A 97 117.046 4.795 22.038 1.00 2.25 H new ATOM 1395 N ASP A 98 118.113 4.145 17.482 1.00 2.10 N ATOM 1396 CA ASP A 98 118.161 3.776 16.042 1.00 1.98 C ATOM 1397 C ASP A 98 117.466 4.862 15.243 1.00 1.76 C ATOM 1398 O ASP A 98 118.071 5.548 14.443 1.00 1.73 O ATOM 1399 CB ASP A 98 117.434 2.442 15.831 1.00 1.95 C ATOM 1400 CG ASP A 98 118.103 1.359 16.682 1.00 2.28 C ATOM 1401 OD1 ASP A 98 119.150 1.637 17.243 1.00 2.65 O ATOM 1402 OD2 ASP A 98 117.556 0.271 16.758 1.00 2.64 O ATOM 0 H ASP A 98 117.420 3.639 18.033 1.00 2.10 H new ATOM 0 HA ASP A 98 119.196 3.675 15.716 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.384 2.540 16.107 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.463 2.162 14.778 1.00 1.95 H new ATOM 1407 N SER A 99 116.189 4.996 15.425 1.00 1.67 N ATOM 1408 CA SER A 99 115.430 6.007 14.650 1.00 1.48 C ATOM 1409 C SER A 99 116.033 7.407 14.886 1.00 1.62 C ATOM 1410 O SER A 99 116.436 7.702 15.994 1.00 1.87 O ATOM 1411 CB SER A 99 113.965 5.975 15.119 1.00 1.48 C ATOM 1412 OG SER A 99 113.914 5.448 16.439 1.00 2.00 O ATOM 0 H SER A 99 115.634 4.446 16.081 1.00 1.67 H new ATOM 0 HA SER A 99 115.484 5.784 13.584 1.00 1.48 H new ATOM 0 HB2 SER A 99 113.541 6.979 15.097 1.00 1.48 H new ATOM 0 HB3 SER A 99 113.367 5.362 14.445 1.00 1.48 H new ATOM 0 HG SER A 99 112.994 5.494 16.774 1.00 2.00 H new ATOM 1418 N PRO A 100 116.051 8.258 13.868 1.00 1.55 N ATOM 1419 CA PRO A 100 115.575 7.965 12.486 1.00 1.33 C ATOM 1420 C PRO A 100 116.697 7.258 11.686 1.00 1.33 C ATOM 1421 O PRO A 100 117.683 7.887 11.352 1.00 1.47 O ATOM 1422 CB PRO A 100 115.316 9.368 11.888 1.00 1.43 C ATOM 1423 CG PRO A 100 116.063 10.394 12.790 1.00 1.74 C ATOM 1424 CD PRO A 100 116.535 9.639 14.053 1.00 1.79 C ATOM 0 HA PRO A 100 114.698 7.318 12.462 1.00 1.33 H new ATOM 0 HB2 PRO A 100 115.678 9.422 10.861 1.00 1.43 H new ATOM 0 HB3 PRO A 100 114.248 9.584 11.861 1.00 1.43 H new ATOM 0 HG2 PRO A 100 116.913 10.824 12.260 1.00 1.74 H new ATOM 0 HG3 PRO A 100 115.404 11.219 13.060 1.00 1.74 H new ATOM 0 HD2 PRO A 100 117.620 9.668 14.149 1.00 1.79 H new ATOM 0 HD3 PRO A 100 116.123 10.085 14.958 1.00 1.79 H new ATOM 1432 N PHE A 101 116.569 5.980 11.354 1.00 1.25 N ATOM 1433 CA PHE A 101 117.661 5.300 10.554 1.00 1.36 C ATOM 1434 C PHE A 101 117.177 5.031 9.132 1.00 1.24 C ATOM 1435 O PHE A 101 116.007 5.149 8.826 1.00 1.16 O ATOM 1436 CB PHE A 101 118.103 3.981 11.202 1.00 1.55 C ATOM 1437 CG PHE A 101 116.941 3.033 11.396 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.577 2.129 10.395 1.00 1.78 C ATOM 1439 CD2 PHE A 101 116.257 3.037 12.603 1.00 1.50 C ATOM 1440 CE1 PHE A 101 115.517 1.239 10.617 1.00 2.18 C ATOM 1441 CE2 PHE A 101 115.211 2.156 12.832 1.00 1.83 C ATOM 1442 CZ PHE A 101 114.834 1.252 11.839 1.00 2.19 C ATOM 0 H PHE A 101 115.773 5.390 11.597 1.00 1.25 H new ATOM 0 HA PHE A 101 118.519 5.972 10.533 1.00 1.36 H new ATOM 0 HB2 PHE A 101 118.860 3.505 10.578 1.00 1.55 H new ATOM 0 HB3 PHE A 101 118.568 4.188 12.166 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.109 2.116 9.455 1.00 1.78 H new ATOM 0 HD2 PHE A 101 116.543 3.736 13.375 1.00 1.50 H new ATOM 0 HE1 PHE A 101 115.227 0.542 9.844 1.00 2.18 H new ATOM 0 HE2 PHE A 101 114.689 2.170 13.777 1.00 1.83 H new ATOM 0 HZ PHE A 101 114.019 0.565 12.012 1.00 2.19 H new ATOM 1452 N VAL A 102 118.084 4.691 8.251 1.00 1.28 N ATOM 1453 CA VAL A 102 117.704 4.436 6.831 1.00 1.21 C ATOM 1454 C VAL A 102 117.451 2.942 6.596 1.00 1.23 C ATOM 1455 O VAL A 102 117.998 2.090 7.268 1.00 1.34 O ATOM 1456 CB VAL A 102 118.837 4.911 5.917 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.135 4.190 6.285 1.00 1.44 C ATOM 1458 CG2 VAL A 102 118.479 4.611 4.460 1.00 1.29 C ATOM 0 H VAL A 102 119.077 4.579 8.457 1.00 1.28 H new ATOM 0 HA VAL A 102 116.787 4.981 6.608 1.00 1.21 H new ATOM 0 HB VAL A 102 118.975 5.985 6.043 1.00 1.31 H new ATOM 0 HG11 VAL A 102 120.938 4.531 5.632 1.00 1.44 H new ATOM 0 HG12 VAL A 102 120.392 4.409 7.321 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.001 3.115 6.164 1.00 1.44 H new ATOM 0 HG21 VAL A 102 119.286 4.949 3.810 1.00 1.29 H new ATOM 0 HG22 VAL A 102 118.337 3.538 4.334 1.00 1.29 H new ATOM 0 HG23 VAL A 102 117.558 5.132 4.197 1.00 1.29 H new ATOM 1468 N VAL A 103 116.625 2.631 5.628 1.00 1.15 N ATOM 1469 CA VAL A 103 116.308 1.205 5.293 1.00 1.19 C ATOM 1470 C VAL A 103 116.549 1.009 3.781 1.00 1.19 C ATOM 1471 O VAL A 103 115.638 1.172 2.998 1.00 1.10 O ATOM 1472 CB VAL A 103 114.833 0.938 5.615 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.427 -0.447 5.094 1.00 1.18 C ATOM 1474 CG2 VAL A 103 114.632 0.987 7.131 1.00 1.14 C ATOM 0 H VAL A 103 116.147 3.317 5.044 1.00 1.15 H new ATOM 0 HA VAL A 103 116.933 0.521 5.867 1.00 1.19 H new ATOM 0 HB VAL A 103 114.216 1.697 5.134 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.378 -0.630 5.326 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.572 -0.486 4.014 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.043 -1.210 5.571 1.00 1.18 H new ATOM 0 HG21 VAL A 103 113.584 0.798 7.365 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.253 0.227 7.605 1.00 1.14 H new ATOM 0 HG23 VAL A 103 114.915 1.971 7.504 1.00 1.14 H new ATOM 1484 N PRO A 104 117.773 0.709 3.394 1.00 1.29 N ATOM 1485 CA PRO A 104 118.108 0.550 1.965 1.00 1.30 C ATOM 1486 C PRO A 104 117.332 -0.611 1.317 1.00 1.33 C ATOM 1487 O PRO A 104 117.554 -1.771 1.614 1.00 1.44 O ATOM 1488 CB PRO A 104 119.636 0.289 1.941 1.00 1.42 C ATOM 1489 CG PRO A 104 120.145 0.363 3.410 1.00 1.49 C ATOM 1490 CD PRO A 104 118.908 0.508 4.322 1.00 1.41 C ATOM 0 HA PRO A 104 117.832 1.433 1.389 1.00 1.30 H new ATOM 0 HB2 PRO A 104 119.852 -0.688 1.509 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.142 1.030 1.322 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.708 -0.535 3.667 1.00 1.49 H new ATOM 0 HG3 PRO A 104 120.819 1.210 3.540 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.764 -0.381 4.936 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.016 1.352 5.003 1.00 1.41 H new ATOM 1498 N VAL A 105 116.449 -0.302 0.400 1.00 1.25 N ATOM 1499 CA VAL A 105 115.692 -1.374 -0.310 1.00 1.29 C ATOM 1500 C VAL A 105 116.509 -1.746 -1.557 1.00 1.35 C ATOM 1501 O VAL A 105 117.135 -0.890 -2.171 1.00 1.31 O ATOM 1502 CB VAL A 105 114.297 -0.853 -0.683 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.607 -1.798 -1.677 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.448 -0.764 0.585 1.00 1.15 C ATOM 0 H VAL A 105 116.221 0.650 0.113 1.00 1.25 H new ATOM 0 HA VAL A 105 115.551 -2.256 0.315 1.00 1.29 H new ATOM 0 HB VAL A 105 114.402 0.127 -1.148 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.620 -1.407 -1.926 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.207 -1.873 -2.584 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.503 -2.786 -1.228 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.454 -0.395 0.332 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.364 -1.752 1.037 1.00 1.15 H new ATOM 0 HG23 VAL A 105 113.920 -0.081 1.292 1.00 1.15 H new ATOM 1514 N ALA A 106 116.550 -3.020 -1.895 1.00 1.46 N ATOM 1515 CA ALA A 106 117.375 -3.498 -3.060 1.00 1.53 C ATOM 1516 C ALA A 106 116.505 -4.220 -4.116 1.00 1.59 C ATOM 1517 O ALA A 106 115.782 -5.135 -3.820 1.00 1.66 O ATOM 1518 CB ALA A 106 118.422 -4.475 -2.496 1.00 1.67 C ATOM 0 H ALA A 106 116.041 -3.757 -1.407 1.00 1.46 H new ATOM 0 HA ALA A 106 117.842 -2.647 -3.557 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.046 -4.849 -3.308 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.047 -3.958 -1.767 1.00 1.67 H new ATOM 0 HB3 ALA A 106 117.916 -5.311 -2.013 1.00 1.67 H new ATOM 1524 N SER A 107 116.591 -3.823 -5.352 1.00 1.59 N ATOM 1525 CA SER A 107 115.794 -4.495 -6.421 1.00 1.67 C ATOM 1526 C SER A 107 116.622 -5.651 -6.948 1.00 1.81 C ATOM 1527 O SER A 107 117.247 -5.570 -7.987 1.00 1.83 O ATOM 1528 CB SER A 107 115.513 -3.524 -7.570 1.00 1.60 C ATOM 1529 OG SER A 107 115.119 -4.262 -8.719 1.00 2.04 O ATOM 0 H SER A 107 117.182 -3.057 -5.673 1.00 1.59 H new ATOM 0 HA SER A 107 114.842 -4.837 -6.015 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.728 -2.823 -7.286 1.00 1.60 H new ATOM 0 HB3 SER A 107 116.403 -2.934 -7.789 1.00 1.60 H new ATOM 0 HG SER A 107 115.882 -4.776 -9.055 1.00 2.04 H new ATOM 1535 N LEU A 108 116.653 -6.714 -6.217 1.00 1.98 N ATOM 1536 CA LEU A 108 117.468 -7.886 -6.631 1.00 2.16 C ATOM 1537 C LEU A 108 118.940 -7.517 -6.415 1.00 2.13 C ATOM 1538 O LEU A 108 119.829 -8.339 -6.519 1.00 2.33 O ATOM 1539 CB LEU A 108 117.185 -8.208 -8.118 1.00 2.25 C ATOM 1540 CG LEU A 108 117.108 -9.725 -8.345 1.00 2.76 C ATOM 1541 CD1 LEU A 108 116.554 -9.988 -9.742 1.00 3.20 C ATOM 1542 CD2 LEU A 108 118.504 -10.343 -8.222 1.00 3.20 C ATOM 0 H LEU A 108 116.146 -6.829 -5.340 1.00 1.98 H new ATOM 0 HA LEU A 108 117.221 -8.772 -6.047 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.248 -7.743 -8.423 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.970 -7.782 -8.742 1.00 2.25 H new ATOM 0 HG LEU A 108 116.456 -10.174 -7.596 1.00 2.76 H new ATOM 0 HD11 LEU A 108 116.495 -11.063 -9.914 1.00 3.20 H new ATOM 0 HD12 LEU A 108 115.559 -9.552 -9.827 1.00 3.20 H new ATOM 0 HD13 LEU A 108 117.212 -9.537 -10.485 1.00 3.20 H new ATOM 0 HD21 LEU A 108 118.441 -11.419 -8.384 1.00 3.20 H new ATOM 0 HD22 LEU A 108 119.164 -9.901 -8.968 1.00 3.20 H new ATOM 0 HD23 LEU A 108 118.901 -10.149 -7.226 1.00 3.20 H new ATOM 1554 N SER A 109 119.186 -6.275 -6.092 1.00 1.93 N ATOM 1555 CA SER A 109 120.576 -5.816 -5.838 1.00 1.92 C ATOM 1556 C SER A 109 120.990 -6.268 -4.442 1.00 2.00 C ATOM 1557 O SER A 109 122.160 -6.381 -4.135 1.00 2.09 O ATOM 1558 CB SER A 109 120.630 -4.296 -5.957 1.00 1.77 C ATOM 1559 OG SER A 109 119.857 -3.889 -7.079 1.00 2.06 O ATOM 0 H SER A 109 118.472 -5.553 -5.993 1.00 1.93 H new ATOM 0 HA SER A 109 121.264 -6.244 -6.567 1.00 1.92 H new ATOM 0 HB2 SER A 109 120.245 -3.834 -5.048 1.00 1.77 H new ATOM 0 HB3 SER A 109 121.662 -3.964 -6.071 1.00 1.77 H new ATOM 0 HG SER A 109 119.886 -2.913 -7.160 1.00 2.06 H new ATOM 1565 N ASP A 110 120.035 -6.540 -3.593 1.00 1.99 N ATOM 1566 CA ASP A 110 120.372 -7.001 -2.216 1.00 2.10 C ATOM 1567 C ASP A 110 121.381 -6.039 -1.597 1.00 2.06 C ATOM 1568 O ASP A 110 121.948 -6.304 -0.556 1.00 2.19 O ATOM 1569 CB ASP A 110 120.982 -8.404 -2.284 1.00 2.32 C ATOM 1570 CG ASP A 110 119.896 -9.415 -2.656 1.00 2.37 C ATOM 1571 OD1 ASP A 110 119.368 -9.312 -3.750 1.00 2.61 O ATOM 1572 OD2 ASP A 110 119.612 -10.277 -1.840 1.00 2.85 O ATOM 0 H ASP A 110 119.038 -6.463 -3.794 1.00 1.99 H new ATOM 0 HA ASP A 110 119.469 -7.027 -1.607 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.784 -8.428 -3.022 1.00 2.32 H new ATOM 0 HB3 ASP A 110 121.425 -8.667 -1.323 1.00 2.32 H new ATOM 1836 N ARG B 8 112.566 12.667 -1.544 1.00 0.48 N ATOM 1837 CA ARG B 8 111.884 11.395 -1.909 1.00 0.50 C ATOM 1838 C ARG B 8 110.438 11.479 -1.425 1.00 0.48 C ATOM 1839 O ARG B 8 110.123 12.245 -0.536 1.00 0.96 O ATOM 1840 CB ARG B 8 112.604 10.221 -1.228 1.00 0.67 C ATOM 1841 CG ARG B 8 114.119 10.468 -1.262 1.00 0.80 C ATOM 1842 CD ARG B 8 114.892 9.156 -1.016 1.00 1.18 C ATOM 1843 NE ARG B 8 116.065 9.424 -0.125 1.00 1.76 N ATOM 1844 CZ ARG B 8 116.871 10.431 -0.350 1.00 2.26 C ATOM 1845 NH1 ARG B 8 116.763 11.136 -1.442 1.00 3.04 N ATOM 1846 NH2 ARG B 8 117.819 10.704 0.504 1.00 2.64 N ATOM 0 HA ARG B 8 111.906 11.239 -2.988 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.263 10.119 -0.198 1.00 0.67 H new ATOM 0 HB3 ARG B 8 112.364 9.287 -1.737 1.00 0.67 H new ATOM 0 HG2 ARG B 8 114.402 10.887 -2.227 1.00 0.80 H new ATOM 0 HG3 ARG B 8 114.390 11.203 -0.504 1.00 0.80 H new ATOM 0 HD2 ARG B 8 114.236 8.416 -0.558 1.00 1.18 H new ATOM 0 HD3 ARG B 8 115.231 8.738 -1.964 1.00 1.18 H new ATOM 0 HE ARG B 8 116.239 8.811 0.672 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.046 10.905 -2.130 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.396 11.919 -1.608 1.00 3.04 H new ATOM 0 HH21 ARG B 8 117.930 10.134 1.343 1.00 2.64 H new ATOM 0 HH22 ARG B 8 118.449 11.487 0.333 1.00 2.64 H new ATOM 1860 N VAL B 9 109.554 10.709 -1.992 1.00 0.42 N ATOM 1861 CA VAL B 9 108.134 10.763 -1.545 1.00 0.36 C ATOM 1862 C VAL B 9 108.098 10.686 -0.012 1.00 0.28 C ATOM 1863 O VAL B 9 109.046 10.252 0.613 1.00 0.38 O ATOM 1864 CB VAL B 9 107.371 9.589 -2.170 1.00 0.45 C ATOM 1865 CG1 VAL B 9 106.047 9.358 -1.433 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.080 9.900 -3.641 1.00 0.66 C ATOM 0 H VAL B 9 109.751 10.047 -2.743 1.00 0.42 H new ATOM 0 HA VAL B 9 107.662 11.693 -1.862 1.00 0.36 H new ATOM 0 HB VAL B 9 107.982 8.690 -2.091 1.00 0.45 H new ATOM 0 HG11 VAL B 9 105.518 8.521 -1.889 1.00 0.67 H new ATOM 0 HG12 VAL B 9 106.248 9.133 -0.386 1.00 0.67 H new ATOM 0 HG13 VAL B 9 105.432 10.256 -1.499 1.00 0.67 H new ATOM 0 HG21 VAL B 9 106.538 9.067 -4.089 1.00 0.66 H new ATOM 0 HG22 VAL B 9 106.476 10.805 -3.709 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.019 10.050 -4.174 1.00 0.66 H new ATOM 1876 N ALA B 10 107.023 11.124 0.596 1.00 0.27 N ATOM 1877 CA ALA B 10 106.927 11.103 2.094 1.00 0.35 C ATOM 1878 C ALA B 10 105.690 10.321 2.534 1.00 0.26 C ATOM 1879 O ALA B 10 104.713 10.224 1.818 1.00 0.40 O ATOM 1880 CB ALA B 10 106.819 12.539 2.610 1.00 0.58 C ATOM 0 H ALA B 10 106.202 11.498 0.119 1.00 0.27 H new ATOM 0 HA ALA B 10 107.817 10.622 2.500 1.00 0.35 H new ATOM 0 HB1 ALA B 10 106.749 12.530 3.698 1.00 0.58 H new ATOM 0 HB2 ALA B 10 107.702 13.102 2.308 1.00 0.58 H new ATOM 0 HB3 ALA B 10 105.929 13.010 2.193 1.00 0.58 H new ATOM 1886 N SER B 11 105.728 9.765 3.717 1.00 0.23 N ATOM 1887 CA SER B 11 104.558 8.986 4.227 1.00 0.22 C ATOM 1888 C SER B 11 104.489 9.119 5.751 1.00 0.23 C ATOM 1889 O SER B 11 105.499 9.230 6.419 1.00 0.30 O ATOM 1890 CB SER B 11 104.724 7.514 3.851 1.00 0.36 C ATOM 1891 OG SER B 11 103.965 6.711 4.746 1.00 1.19 O ATOM 0 H SER B 11 106.522 9.817 4.355 1.00 0.23 H new ATOM 0 HA SER B 11 103.640 9.372 3.784 1.00 0.22 H new ATOM 0 HB2 SER B 11 104.392 7.349 2.826 1.00 0.36 H new ATOM 0 HB3 SER B 11 105.776 7.232 3.895 1.00 0.36 H new ATOM 0 HG SER B 11 104.069 5.766 4.506 1.00 1.19 H new ATOM 1897 N SER B 12 103.305 9.114 6.309 1.00 0.27 N ATOM 1898 CA SER B 12 103.174 9.249 7.793 1.00 0.35 C ATOM 1899 C SER B 12 101.983 8.427 8.292 1.00 0.31 C ATOM 1900 O SER B 12 100.873 8.564 7.818 1.00 0.41 O ATOM 1901 CB SER B 12 102.958 10.720 8.149 1.00 0.52 C ATOM 1902 OG SER B 12 101.883 11.237 7.375 1.00 1.38 O ATOM 0 H SER B 12 102.424 9.022 5.803 1.00 0.27 H new ATOM 0 HA SER B 12 104.084 8.882 8.267 1.00 0.35 H new ATOM 0 HB2 SER B 12 102.738 10.820 9.212 1.00 0.52 H new ATOM 0 HB3 SER B 12 103.867 11.290 7.957 1.00 0.52 H new ATOM 0 HG SER B 12 101.159 10.578 7.340 1.00 1.38 H new ATOM 1908 N VAL B 13 102.213 7.575 9.254 1.00 0.27 N ATOM 1909 CA VAL B 13 101.112 6.737 9.806 1.00 0.27 C ATOM 1910 C VAL B 13 101.637 5.994 11.033 1.00 0.32 C ATOM 1911 O VAL B 13 102.810 6.070 11.356 1.00 0.41 O ATOM 1912 CB VAL B 13 100.653 5.735 8.744 1.00 0.32 C ATOM 1913 CG1 VAL B 13 101.837 4.867 8.306 1.00 0.42 C ATOM 1914 CG2 VAL B 13 99.537 4.840 9.307 1.00 0.41 C ATOM 0 H VAL B 13 103.125 7.423 9.684 1.00 0.27 H new ATOM 0 HA VAL B 13 100.265 7.363 10.088 1.00 0.27 H new ATOM 0 HB VAL B 13 100.268 6.284 7.884 1.00 0.32 H new ATOM 0 HG11 VAL B 13 101.506 4.155 7.550 1.00 0.42 H new ATOM 0 HG12 VAL B 13 102.619 5.502 7.889 1.00 0.42 H new ATOM 0 HG13 VAL B 13 102.230 4.326 9.167 1.00 0.42 H new ATOM 0 HG21 VAL B 13 99.219 4.131 8.543 1.00 0.41 H new ATOM 0 HG22 VAL B 13 99.910 4.295 10.174 1.00 0.41 H new ATOM 0 HG23 VAL B 13 98.690 5.458 9.604 1.00 0.41 H new ATOM 1924 N PHE B 14 100.793 5.279 11.730 1.00 0.36 N ATOM 1925 CA PHE B 14 101.291 4.549 12.930 1.00 0.45 C ATOM 1926 C PHE B 14 100.147 3.875 13.706 1.00 0.34 C ATOM 1927 O PHE B 14 99.039 3.744 13.226 1.00 0.35 O ATOM 1928 CB PHE B 14 102.031 5.536 13.848 1.00 0.59 C ATOM 1929 CG PHE B 14 101.482 6.949 13.715 1.00 0.71 C ATOM 1930 CD1 PHE B 14 100.103 7.169 13.667 1.00 0.70 C ATOM 1931 CD2 PHE B 14 102.356 8.052 13.691 1.00 1.40 C ATOM 1932 CE1 PHE B 14 99.609 8.473 13.586 1.00 1.03 C ATOM 1933 CE2 PHE B 14 101.862 9.343 13.623 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.487 9.562 13.565 1.00 1.54 C ATOM 0 H PHE B 14 99.800 5.170 11.525 1.00 0.36 H new ATOM 0 HA PHE B 14 101.967 3.763 12.594 1.00 0.45 H new ATOM 0 HB2 PHE B 14 101.942 5.207 14.883 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.093 5.534 13.603 1.00 0.59 H new ATOM 0 HD1 PHE B 14 99.420 6.332 13.692 1.00 0.70 H new ATOM 0 HD2 PHE B 14 103.423 7.889 13.726 1.00 1.40 H new ATOM 0 HE1 PHE B 14 98.543 8.642 13.539 1.00 1.03 H new ATOM 0 HE2 PHE B 14 102.543 10.181 13.615 1.00 1.79 H new ATOM 0 HZ PHE B 14 100.101 10.569 13.504 1.00 1.54 H new ATOM 1944 N ILE B 15 100.432 3.446 14.920 1.00 0.34 N ATOM 1945 CA ILE B 15 99.401 2.777 15.762 1.00 0.33 C ATOM 1946 C ILE B 15 99.511 3.304 17.198 1.00 0.31 C ATOM 1947 O ILE B 15 100.594 3.501 17.718 1.00 0.58 O ATOM 1948 CB ILE B 15 99.656 1.268 15.749 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.161 1.009 15.856 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.131 0.667 14.443 1.00 0.83 C ATOM 1951 CD1 ILE B 15 101.405 -0.466 16.180 1.00 1.25 C ATOM 0 H ILE B 15 101.348 3.536 15.360 1.00 0.34 H new ATOM 0 HA ILE B 15 98.404 2.984 15.373 1.00 0.33 H new ATOM 0 HB ILE B 15 99.141 0.807 16.592 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.653 1.273 14.920 1.00 0.62 H new ATOM 0 HG13 ILE B 15 101.595 1.639 16.633 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.314 -0.407 14.437 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.060 0.853 14.362 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.644 1.127 13.599 1.00 0.83 H new ATOM 0 HD11 ILE B 15 102.477 -0.649 16.256 1.00 1.25 H new ATOM 0 HD12 ILE B 15 100.926 -0.714 17.127 1.00 1.25 H new ATOM 0 HD13 ILE B 15 100.986 -1.087 15.388 1.00 1.25 H new ATOM 1963 N THR B 16 98.398 3.538 17.845 1.00 0.35 N ATOM 1964 CA THR B 16 98.434 4.057 19.247 1.00 0.47 C ATOM 1965 C THR B 16 98.346 2.890 20.234 1.00 0.31 C ATOM 1966 O THR B 16 97.494 2.032 20.119 1.00 0.35 O ATOM 1967 CB THR B 16 97.246 4.996 19.468 1.00 0.75 C ATOM 1968 OG1 THR B 16 96.035 4.275 19.284 1.00 1.61 O ATOM 1969 CG2 THR B 16 97.314 6.150 18.467 1.00 1.40 C ATOM 0 H THR B 16 97.464 3.392 17.463 1.00 0.35 H new ATOM 0 HA THR B 16 99.367 4.596 19.408 1.00 0.47 H new ATOM 0 HB THR B 16 97.280 5.396 20.481 1.00 0.75 H new ATOM 0 HG1 THR B 16 96.201 3.318 19.414 1.00 1.61 H new ATOM 0 HG21 THR B 16 96.468 6.819 18.625 1.00 1.40 H new ATOM 0 HG22 THR B 16 98.243 6.701 18.610 1.00 1.40 H new ATOM 0 HG23 THR B 16 97.279 5.754 17.452 1.00 1.40 H new ATOM 1977 N LEU B 17 99.218 2.856 21.210 1.00 0.39 N ATOM 1978 CA LEU B 17 99.184 1.750 22.214 1.00 0.44 C ATOM 1979 C LEU B 17 98.336 2.192 23.410 1.00 0.31 C ATOM 1980 O LEU B 17 98.742 3.024 24.198 1.00 0.54 O ATOM 1981 CB LEU B 17 100.610 1.439 22.685 1.00 0.72 C ATOM 1982 CG LEU B 17 101.371 0.645 21.608 1.00 0.83 C ATOM 1983 CD1 LEU B 17 100.772 -0.767 21.441 1.00 1.06 C ATOM 1984 CD2 LEU B 17 101.305 1.397 20.272 1.00 1.32 C ATOM 0 H LEU B 17 99.953 3.548 21.355 1.00 0.39 H new ATOM 0 HA LEU B 17 98.752 0.856 21.764 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.138 2.367 22.902 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.577 0.867 23.612 1.00 0.72 H new ATOM 0 HG LEU B 17 102.410 0.543 21.921 1.00 0.83 H new ATOM 0 HD11 LEU B 17 101.326 -1.309 20.675 1.00 1.06 H new ATOM 0 HD12 LEU B 17 100.840 -1.305 22.387 1.00 1.06 H new ATOM 0 HD13 LEU B 17 99.727 -0.686 21.144 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.844 0.834 19.510 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.264 1.511 19.970 1.00 1.32 H new ATOM 0 HD23 LEU B 17 101.760 2.381 20.386 1.00 1.32 H new