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 60 LYS NZ :NH3+ 152:sc= -0.157 (180deg=-0.98) USER MOD Set 1.2: B 11 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 90 LYS NZ :NH3+ -134:sc= -3! (180deg=-2.15) USER MOD Set 2.2: A 95 HIS :FLIP no HD1:sc= 0.0158 F(o=-4.8!,f=-3) USER MOD Set 3.1: A 59 SER OG : rot -58:sc= -0.563 USER MOD Set 3.2: A 85 TYR OH : rot -23:sc= 1.04 USER MOD Set 4.1: A 20 LYS NZ :NH3+ -162:sc= 0.636! (180deg=1.31) USER MOD Set 4.2: A 43 THR OG1 : rot -163:sc= -3.36! USER MOD Single : A 19 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 36:sc= 0.766 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0661 USER MOD Single : A 77 TYR OH : rot 100:sc= -0.852 USER MOD Single : A 80 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.57) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.0096) USER MOD Single : A 99 SER OG : rot 50:sc= -0.654! USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot 43:sc= 0.172 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 113.821 7.198 28.597 1.00 2.21 N ATOM 228 CA GLY A 16 112.368 6.952 28.393 1.00 2.06 C ATOM 229 C GLY A 16 112.120 5.930 27.273 1.00 1.98 C ATOM 230 O GLY A 16 112.381 6.182 26.115 1.00 2.44 O ATOM 0 HA2 GLY A 16 111.926 6.590 29.321 1.00 2.06 H new ATOM 0 HA3 GLY A 16 111.870 7.890 28.147 1.00 2.06 H new ATOM 234 N GLY A 17 111.581 4.791 27.621 1.00 1.81 N ATOM 235 CA GLY A 17 111.260 3.746 26.601 1.00 1.74 C ATOM 236 C GLY A 17 112.525 3.154 25.983 1.00 1.78 C ATOM 237 O GLY A 17 112.669 1.952 25.883 1.00 1.80 O ATOM 0 H GLY A 17 111.346 4.536 28.580 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.675 2.952 27.065 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.641 4.181 25.817 1.00 1.74 H new ATOM 241 N ALA A 18 113.433 3.973 25.551 1.00 1.84 N ATOM 242 CA ALA A 18 114.678 3.431 24.923 1.00 1.96 C ATOM 243 C ALA A 18 115.315 2.377 25.844 1.00 2.07 C ATOM 244 O ALA A 18 116.289 1.744 25.487 1.00 2.21 O ATOM 245 CB ALA A 18 115.671 4.587 24.656 1.00 2.09 C ATOM 0 H ALA A 18 113.375 4.990 25.601 1.00 1.84 H new ATOM 0 HA ALA A 18 114.427 2.956 23.975 1.00 1.96 H new ATOM 0 HB1 ALA A 18 116.577 4.190 24.199 1.00 2.09 H new ATOM 0 HB2 ALA A 18 115.213 5.312 23.984 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.924 5.074 25.598 1.00 2.09 H new ATOM 251 N HIS A 19 114.781 2.189 27.024 1.00 2.06 N ATOM 252 CA HIS A 19 115.363 1.186 27.965 1.00 2.21 C ATOM 253 C HIS A 19 114.570 -0.129 27.908 1.00 2.15 C ATOM 254 O HIS A 19 114.957 -1.110 28.512 1.00 2.33 O ATOM 255 CB HIS A 19 115.310 1.753 29.387 1.00 2.33 C ATOM 256 CG HIS A 19 115.743 0.701 30.373 1.00 2.51 C ATOM 257 ND1 HIS A 19 116.751 -0.208 30.089 1.00 2.79 N ATOM 258 CD2 HIS A 19 115.313 0.400 31.641 1.00 2.86 C ATOM 259 CE1 HIS A 19 116.893 -1.004 31.165 1.00 2.87 C ATOM 260 NE2 HIS A 19 116.040 -0.676 32.140 1.00 2.87 N ATOM 0 H HIS A 19 113.965 2.689 27.377 1.00 2.06 H new ATOM 0 HA HIS A 19 116.395 0.982 27.679 1.00 2.21 H new ATOM 0 HB2 HIS A 19 115.958 2.626 29.465 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.298 2.086 29.618 1.00 2.33 H new ATOM 0 HD2 HIS A 19 114.529 0.920 32.171 1.00 2.86 H new ATOM 0 HE1 HIS A 19 117.609 -1.810 31.232 1.00 2.87 H new ATOM 0 HE2 HIS A 19 115.943 -1.119 33.054 1.00 2.87 H new ATOM 268 N LYS A 20 113.462 -0.163 27.202 1.00 2.02 N ATOM 269 CA LYS A 20 112.654 -1.426 27.129 1.00 2.01 C ATOM 270 C LYS A 20 112.166 -1.663 25.699 1.00 1.90 C ATOM 271 O LYS A 20 111.405 -2.574 25.443 1.00 1.96 O ATOM 272 CB LYS A 20 111.442 -1.309 28.066 1.00 1.99 C ATOM 273 CG LYS A 20 110.601 -0.049 27.723 1.00 1.81 C ATOM 274 CD LYS A 20 109.368 -0.433 26.882 1.00 1.74 C ATOM 275 CE LYS A 20 108.634 0.833 26.405 1.00 1.58 C ATOM 276 NZ LYS A 20 107.176 0.546 26.291 1.00 1.94 N ATOM 0 H LYS A 20 113.084 0.625 26.676 1.00 2.02 H new ATOM 0 HA LYS A 20 113.280 -2.265 27.433 1.00 2.01 H new ATOM 0 HB2 LYS A 20 110.822 -2.201 27.979 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.780 -1.256 29.101 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.282 0.443 28.642 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.214 0.666 27.174 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.676 -1.029 26.023 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.694 -1.052 27.474 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.801 1.650 27.107 1.00 1.58 H new ATOM 0 HE3 LYS A 20 109.029 1.155 25.441 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 106.725 1.270 25.695 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 107.039 -0.391 25.861 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.745 0.559 27.237 1.00 1.94 H new ATOM 290 N VAL A 21 112.591 -0.860 24.762 1.00 1.80 N ATOM 291 CA VAL A 21 112.137 -1.057 23.352 1.00 1.71 C ATOM 292 C VAL A 21 113.110 -1.973 22.618 1.00 1.76 C ATOM 293 O VAL A 21 114.252 -1.636 22.379 1.00 1.81 O ATOM 294 CB VAL A 21 112.061 0.299 22.646 1.00 1.64 C ATOM 295 CG1 VAL A 21 111.795 0.095 21.152 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.919 1.114 23.252 1.00 1.75 C ATOM 0 H VAL A 21 113.230 -0.079 24.909 1.00 1.80 H new ATOM 0 HA VAL A 21 111.149 -1.518 23.351 1.00 1.71 H new ATOM 0 HB VAL A 21 113.006 0.826 22.774 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.742 1.064 20.656 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.603 -0.492 20.715 1.00 2.07 H new ATOM 0 HG13 VAL A 21 110.850 -0.432 21.019 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.858 2.082 22.754 1.00 1.75 H new ATOM 0 HG22 VAL A 21 109.979 0.578 23.119 1.00 1.75 H new ATOM 0 HG23 VAL A 21 111.104 1.264 24.316 1.00 1.75 H new ATOM 306 N ARG A 22 112.645 -3.136 22.260 1.00 1.78 N ATOM 307 CA ARG A 22 113.496 -4.118 21.534 1.00 1.85 C ATOM 308 C ARG A 22 113.071 -4.149 20.067 1.00 1.74 C ATOM 309 O ARG A 22 111.899 -4.138 19.750 1.00 1.66 O ATOM 310 CB ARG A 22 113.282 -5.492 22.171 1.00 1.96 C ATOM 311 CG ARG A 22 114.193 -6.552 21.520 1.00 2.03 C ATOM 312 CD ARG A 22 115.594 -6.507 22.146 1.00 2.18 C ATOM 313 NE ARG A 22 115.491 -6.688 23.622 1.00 2.75 N ATOM 314 CZ ARG A 22 116.556 -6.977 24.320 1.00 3.10 C ATOM 315 NH1 ARG A 22 117.711 -7.102 23.727 1.00 3.50 N ATOM 316 NH2 ARG A 22 116.465 -7.141 25.612 1.00 3.33 N ATOM 0 H ARG A 22 111.693 -3.453 22.443 1.00 1.78 H new ATOM 0 HA ARG A 22 114.549 -3.843 21.594 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.488 -5.437 23.240 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.239 -5.788 22.063 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.760 -7.544 21.652 1.00 2.03 H new ATOM 0 HG3 ARG A 22 114.261 -6.374 20.447 1.00 2.03 H new ATOM 0 HD2 ARG A 22 116.220 -7.289 21.717 1.00 2.18 H new ATOM 0 HD3 ARG A 22 116.074 -5.555 21.919 1.00 2.18 H new ATOM 0 HE ARG A 22 114.589 -6.586 24.087 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.783 -6.974 22.718 1.00 3.50 H new ATOM 0 HH12 ARG A 22 118.543 -7.328 24.273 1.00 3.50 H new ATOM 0 HH21 ARG A 22 115.562 -7.043 26.076 1.00 3.33 H new ATOM 0 HH22 ARG A 22 117.297 -7.367 26.157 1.00 3.33 H new ATOM 330 N ALA A 23 114.018 -4.192 19.170 1.00 1.77 N ATOM 331 CA ALA A 23 113.681 -4.229 17.717 1.00 1.68 C ATOM 332 C ALA A 23 114.738 -5.054 16.986 1.00 1.77 C ATOM 333 O ALA A 23 115.890 -4.677 16.910 1.00 1.83 O ATOM 334 CB ALA A 23 113.671 -2.805 17.157 1.00 1.59 C ATOM 0 H ALA A 23 115.016 -4.203 19.382 1.00 1.77 H new ATOM 0 HA ALA A 23 112.697 -4.677 17.578 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.425 -2.833 16.096 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.926 -2.211 17.687 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.655 -2.355 17.289 1.00 1.59 H new ATOM 340 N GLY A 24 114.358 -6.182 16.452 1.00 1.80 N ATOM 341 CA GLY A 24 115.348 -7.036 15.731 1.00 1.90 C ATOM 342 C GLY A 24 114.623 -7.918 14.714 1.00 1.86 C ATOM 343 O GLY A 24 113.658 -8.584 15.034 1.00 1.86 O ATOM 0 H GLY A 24 113.407 -6.550 16.483 1.00 1.80 H new ATOM 0 HA2 GLY A 24 116.083 -6.410 15.225 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.893 -7.657 16.442 1.00 1.90 H new ATOM 347 N GLY A 25 115.078 -7.931 13.490 1.00 1.85 N ATOM 348 CA GLY A 25 114.408 -8.776 12.461 1.00 1.84 C ATOM 349 C GLY A 25 115.139 -8.653 11.123 1.00 1.84 C ATOM 350 O GLY A 25 116.148 -7.986 11.011 1.00 1.84 O ATOM 0 H GLY A 25 115.881 -7.396 13.160 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.398 -9.817 12.784 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.369 -8.468 12.346 1.00 1.84 H new ATOM 354 N THR A 26 114.629 -9.291 10.103 1.00 1.86 N ATOM 355 CA THR A 26 115.286 -9.215 8.766 1.00 1.87 C ATOM 356 C THR A 26 114.909 -7.897 8.091 1.00 1.75 C ATOM 357 O THR A 26 115.632 -7.379 7.258 1.00 1.76 O ATOM 358 CB THR A 26 114.813 -10.384 7.899 1.00 1.96 C ATOM 359 OG1 THR A 26 113.403 -10.516 8.016 1.00 2.31 O ATOM 360 CG2 THR A 26 115.489 -11.675 8.364 1.00 2.29 C ATOM 0 H THR A 26 113.785 -9.862 10.138 1.00 1.86 H new ATOM 0 HA THR A 26 116.368 -9.267 8.888 1.00 1.87 H new ATOM 0 HB THR A 26 115.076 -10.195 6.858 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.097 -11.263 7.460 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.151 -12.506 7.745 1.00 2.29 H new ATOM 0 HG22 THR A 26 116.570 -11.572 8.274 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.228 -11.868 9.405 1.00 2.29 H new ATOM 368 N GLY A 27 113.785 -7.343 8.452 1.00 1.64 N ATOM 369 CA GLY A 27 113.366 -6.056 7.841 1.00 1.54 C ATOM 370 C GLY A 27 114.308 -4.965 8.331 1.00 1.50 C ATOM 371 O GLY A 27 114.382 -3.888 7.774 1.00 1.46 O ATOM 0 H GLY A 27 113.141 -7.727 9.143 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.397 -6.124 6.754 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.338 -5.822 8.117 1.00 1.54 H new ATOM 375 N LEU A 28 115.038 -5.250 9.375 1.00 1.57 N ATOM 376 CA LEU A 28 115.999 -4.253 9.924 1.00 1.59 C ATOM 377 C LEU A 28 117.369 -4.502 9.299 1.00 1.69 C ATOM 378 O LEU A 28 118.394 -4.256 9.903 1.00 1.83 O ATOM 379 CB LEU A 28 116.091 -4.425 11.443 1.00 1.65 C ATOM 380 CG LEU A 28 114.758 -4.033 12.103 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.780 -4.454 13.579 1.00 1.66 C ATOM 382 CD2 LEU A 28 114.535 -2.511 12.001 1.00 1.61 C ATOM 0 H LEU A 28 115.009 -6.139 9.875 1.00 1.57 H new ATOM 0 HA LEU A 28 115.664 -3.241 9.695 1.00 1.59 H new ATOM 0 HB2 LEU A 28 116.335 -5.459 11.685 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.897 -3.807 11.838 1.00 1.65 H new ATOM 0 HG LEU A 28 113.943 -4.540 11.587 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.837 -4.178 14.050 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.918 -5.533 13.648 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.601 -3.950 14.089 1.00 1.66 H new ATOM 0 HD21 LEU A 28 113.588 -2.250 12.473 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.348 -1.989 12.506 1.00 1.61 H new ATOM 0 HD23 LEU A 28 114.512 -2.216 10.952 1.00 1.61 H new ATOM 394 N GLU A 29 117.391 -4.994 8.086 1.00 1.73 N ATOM 395 CA GLU A 29 118.688 -5.272 7.400 1.00 1.84 C ATOM 396 C GLU A 29 118.587 -4.847 5.934 1.00 1.75 C ATOM 397 O GLU A 29 119.448 -4.160 5.422 1.00 1.78 O ATOM 398 CB GLU A 29 118.992 -6.770 7.480 1.00 2.00 C ATOM 399 CG GLU A 29 118.727 -7.267 8.902 1.00 2.06 C ATOM 400 CD GLU A 29 119.341 -8.657 9.084 1.00 1.98 C ATOM 401 OE1 GLU A 29 120.353 -8.923 8.457 1.00 2.34 O ATOM 402 OE2 GLU A 29 118.787 -9.431 9.847 1.00 2.21 O ATOM 0 H GLU A 29 116.560 -5.216 7.538 1.00 1.73 H new ATOM 0 HA GLU A 29 119.488 -4.713 7.885 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.371 -7.317 6.770 1.00 2.00 H new ATOM 0 HB3 GLU A 29 120.030 -6.957 7.205 1.00 2.00 H new ATOM 0 HG2 GLU A 29 119.153 -6.573 9.626 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.654 -7.305 9.091 1.00 2.06 H new ATOM 409 N ARG A 30 117.546 -5.246 5.252 1.00 1.69 N ATOM 410 CA ARG A 30 117.413 -4.851 3.818 1.00 1.64 C ATOM 411 C ARG A 30 116.062 -5.317 3.264 1.00 1.59 C ATOM 412 O ARG A 30 115.290 -5.965 3.942 1.00 1.61 O ATOM 413 CB ARG A 30 118.541 -5.498 3.010 1.00 1.75 C ATOM 414 CG ARG A 30 118.666 -6.972 3.401 1.00 2.21 C ATOM 415 CD ARG A 30 119.605 -7.683 2.426 1.00 2.47 C ATOM 416 NE ARG A 30 120.970 -7.094 2.530 1.00 2.96 N ATOM 417 CZ ARG A 30 121.993 -7.730 2.029 1.00 3.36 C ATOM 418 NH1 ARG A 30 121.821 -8.883 1.443 1.00 3.77 N ATOM 419 NH2 ARG A 30 123.189 -7.213 2.114 1.00 3.76 N ATOM 0 H ARG A 30 116.789 -5.822 5.620 1.00 1.69 H new ATOM 0 HA ARG A 30 117.474 -3.765 3.740 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.336 -5.410 1.943 1.00 1.75 H new ATOM 0 HB3 ARG A 30 119.481 -4.980 3.198 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.048 -7.058 4.418 1.00 2.21 H new ATOM 0 HG3 ARG A 30 117.685 -7.447 3.388 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.640 -8.749 2.650 1.00 2.47 H new ATOM 0 HD3 ARG A 30 119.231 -7.584 1.407 1.00 2.47 H new ATOM 0 HE ARG A 30 121.104 -6.195 2.992 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.887 -9.287 1.377 1.00 3.77 H new ATOM 0 HH12 ARG A 30 122.621 -9.380 1.051 1.00 3.77 H new ATOM 0 HH21 ARG A 30 123.324 -6.312 2.572 1.00 3.76 H new ATOM 0 HH22 ARG A 30 123.989 -7.710 1.722 1.00 3.76 H new ATOM 433 N GLY A 31 115.778 -4.990 2.029 1.00 1.54 N ATOM 434 CA GLY A 31 114.487 -5.408 1.408 1.00 1.52 C ATOM 435 C GLY A 31 114.709 -5.596 -0.091 1.00 1.55 C ATOM 436 O GLY A 31 115.778 -5.321 -0.597 1.00 1.57 O ATOM 0 H GLY A 31 116.391 -4.447 1.421 1.00 1.54 H new ATOM 0 HA2 GLY A 31 114.133 -6.336 1.858 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.720 -4.655 1.586 1.00 1.52 H new ATOM 440 N VAL A 32 113.718 -6.070 -0.810 1.00 1.56 N ATOM 441 CA VAL A 32 113.889 -6.279 -2.286 1.00 1.60 C ATOM 442 C VAL A 32 112.672 -5.736 -3.053 1.00 1.53 C ATOM 443 O VAL A 32 111.564 -5.708 -2.556 1.00 1.50 O ATOM 444 CB VAL A 32 114.072 -7.779 -2.550 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.911 -8.091 -4.044 1.00 1.80 C ATOM 446 CG2 VAL A 32 115.471 -8.207 -2.098 1.00 1.83 C ATOM 0 H VAL A 32 112.801 -6.321 -0.441 1.00 1.56 H new ATOM 0 HA VAL A 32 114.767 -5.737 -2.635 1.00 1.60 H new ATOM 0 HB VAL A 32 113.312 -8.325 -1.992 1.00 1.75 H new ATOM 0 HG11 VAL A 32 114.045 -9.160 -4.209 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.915 -7.795 -4.372 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.659 -7.540 -4.614 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.603 -9.273 -2.285 1.00 1.83 H new ATOM 0 HG22 VAL A 32 116.221 -7.645 -2.655 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.586 -8.008 -1.032 1.00 1.83 H new ATOM 456 N ALA A 33 112.897 -5.290 -4.264 1.00 1.51 N ATOM 457 CA ALA A 33 111.798 -4.721 -5.105 1.00 1.46 C ATOM 458 C ALA A 33 110.466 -5.471 -4.919 1.00 1.53 C ATOM 459 O ALA A 33 110.313 -6.610 -5.314 1.00 1.64 O ATOM 460 CB ALA A 33 112.226 -4.785 -6.591 1.00 1.51 C ATOM 0 H ALA A 33 113.813 -5.296 -4.713 1.00 1.51 H new ATOM 0 HA ALA A 33 111.632 -3.691 -4.791 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.434 -4.373 -7.216 1.00 1.51 H new ATOM 0 HB2 ALA A 33 113.138 -4.205 -6.732 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.408 -5.822 -6.873 1.00 1.51 H new ATOM 466 N GLY A 34 109.493 -4.798 -4.368 1.00 1.46 N ATOM 467 CA GLY A 34 108.141 -5.396 -4.195 1.00 1.52 C ATOM 468 C GLY A 34 108.221 -6.748 -3.504 1.00 1.62 C ATOM 469 O GLY A 34 107.658 -7.718 -3.972 1.00 1.73 O ATOM 0 H GLY A 34 109.581 -3.842 -4.025 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.515 -4.722 -3.610 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.664 -5.510 -5.168 1.00 1.52 H new ATOM 473 N VAL A 35 108.895 -6.821 -2.384 1.00 1.59 N ATOM 474 CA VAL A 35 108.992 -8.114 -1.639 1.00 1.69 C ATOM 475 C VAL A 35 108.543 -7.865 -0.177 1.00 1.61 C ATOM 476 O VAL A 35 109.127 -7.029 0.483 1.00 1.55 O ATOM 477 CB VAL A 35 110.448 -8.608 -1.672 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.664 -9.686 -0.603 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.742 -9.206 -3.054 1.00 2.19 C ATOM 0 H VAL A 35 109.384 -6.037 -1.952 1.00 1.59 H new ATOM 0 HA VAL A 35 108.355 -8.872 -2.095 1.00 1.69 H new ATOM 0 HB VAL A 35 111.116 -7.769 -1.474 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.698 -10.029 -0.635 1.00 2.04 H new ATOM 0 HG12 VAL A 35 110.450 -9.270 0.382 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.997 -10.527 -0.794 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.773 -9.559 -3.086 1.00 2.19 H new ATOM 0 HG22 VAL A 35 110.067 -10.041 -3.240 1.00 2.19 H new ATOM 0 HG23 VAL A 35 110.596 -8.443 -3.819 1.00 2.19 H new ATOM 489 N PRO A 36 107.522 -8.565 0.310 1.00 1.67 N ATOM 490 CA PRO A 36 107.057 -8.347 1.694 1.00 1.61 C ATOM 491 C PRO A 36 108.206 -8.590 2.682 1.00 1.61 C ATOM 492 O PRO A 36 108.991 -9.505 2.529 1.00 1.74 O ATOM 493 CB PRO A 36 105.905 -9.361 1.902 1.00 1.76 C ATOM 494 CG PRO A 36 105.716 -10.135 0.566 1.00 1.96 C ATOM 495 CD PRO A 36 106.764 -9.600 -0.435 1.00 1.85 C ATOM 0 HA PRO A 36 106.717 -7.325 1.864 1.00 1.61 H new ATOM 0 HB2 PRO A 36 106.142 -10.049 2.713 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.986 -8.845 2.180 1.00 1.76 H new ATOM 0 HG2 PRO A 36 105.847 -11.206 0.722 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.707 -9.990 0.179 1.00 1.96 H new ATOM 0 HD2 PRO A 36 107.422 -10.398 -0.780 1.00 1.85 H new ATOM 0 HD3 PRO A 36 106.285 -9.178 -1.318 1.00 1.85 H new ATOM 503 N ALA A 37 108.300 -7.775 3.699 1.00 1.53 N ATOM 504 CA ALA A 37 109.383 -7.945 4.713 1.00 1.62 C ATOM 505 C ALA A 37 108.827 -7.549 6.078 1.00 1.53 C ATOM 506 O ALA A 37 107.856 -6.825 6.169 1.00 1.52 O ATOM 507 CB ALA A 37 110.568 -7.044 4.355 1.00 1.69 C ATOM 0 H ALA A 37 107.669 -6.993 3.872 1.00 1.53 H new ATOM 0 HA ALA A 37 109.723 -8.981 4.733 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.357 -7.169 5.096 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.948 -7.317 3.370 1.00 1.69 H new ATOM 0 HB3 ALA A 37 110.243 -6.004 4.343 1.00 1.69 H new ATOM 513 N GLU A 38 109.418 -8.014 7.147 1.00 1.50 N ATOM 514 CA GLU A 38 108.885 -7.648 8.491 1.00 1.45 C ATOM 515 C GLU A 38 109.972 -7.755 9.551 1.00 1.50 C ATOM 516 O GLU A 38 111.054 -8.257 9.318 1.00 1.60 O ATOM 517 CB GLU A 38 107.726 -8.592 8.859 1.00 1.54 C ATOM 518 CG GLU A 38 108.266 -9.956 9.313 1.00 1.68 C ATOM 519 CD GLU A 38 107.147 -10.999 9.259 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.544 -11.138 8.208 1.00 2.23 O ATOM 521 OE2 GLU A 38 106.913 -11.640 10.270 1.00 2.12 O ATOM 0 H GLU A 38 110.236 -8.623 7.149 1.00 1.50 H new ATOM 0 HA GLU A 38 108.532 -6.618 8.453 1.00 1.45 H new ATOM 0 HB2 GLU A 38 107.127 -8.149 9.654 1.00 1.54 H new ATOM 0 HB3 GLU A 38 107.069 -8.722 7.999 1.00 1.54 H new ATOM 0 HG2 GLU A 38 109.093 -10.262 8.672 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.659 -9.883 10.327 1.00 1.68 H new ATOM 528 N PHE A 39 109.660 -7.305 10.728 1.00 1.46 N ATOM 529 CA PHE A 39 110.622 -7.386 11.849 1.00 1.54 C ATOM 530 C PHE A 39 109.829 -7.357 13.149 1.00 1.53 C ATOM 531 O PHE A 39 108.647 -7.075 13.161 1.00 1.50 O ATOM 532 CB PHE A 39 111.626 -6.226 11.800 1.00 1.54 C ATOM 533 CG PHE A 39 110.917 -4.895 11.927 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.077 -4.453 10.902 1.00 1.36 C ATOM 535 CD2 PHE A 39 111.118 -4.094 13.060 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.434 -3.215 11.006 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.478 -2.854 13.162 1.00 1.37 C ATOM 538 CZ PHE A 39 109.635 -2.415 12.134 1.00 1.30 C ATOM 0 H PHE A 39 108.764 -6.878 10.963 1.00 1.46 H new ATOM 0 HA PHE A 39 111.197 -8.309 11.778 1.00 1.54 H new ATOM 0 HB2 PHE A 39 112.353 -6.334 12.605 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.181 -6.259 10.863 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.924 -5.068 10.028 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.767 -4.434 13.854 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.782 -2.877 10.214 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.634 -2.236 14.034 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.140 -1.458 12.213 1.00 1.30 H new ATOM 548 N SER A 40 110.458 -7.683 14.235 1.00 1.60 N ATOM 549 CA SER A 40 109.742 -7.720 15.546 1.00 1.61 C ATOM 550 C SER A 40 109.995 -6.442 16.349 1.00 1.59 C ATOM 551 O SER A 40 111.023 -5.805 16.231 1.00 1.64 O ATOM 552 CB SER A 40 110.245 -8.918 16.353 1.00 1.73 C ATOM 553 OG SER A 40 110.041 -10.108 15.602 1.00 2.37 O ATOM 0 H SER A 40 111.447 -7.929 14.278 1.00 1.60 H new ATOM 0 HA SER A 40 108.672 -7.804 15.354 1.00 1.61 H new ATOM 0 HB2 SER A 40 111.303 -8.797 16.584 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.716 -8.979 17.304 1.00 1.73 H new ATOM 0 HG SER A 40 110.364 -10.878 16.115 1.00 2.37 H new ATOM 559 N ILE A 41 109.056 -6.084 17.186 1.00 1.54 N ATOM 560 CA ILE A 41 109.201 -4.869 18.041 1.00 1.54 C ATOM 561 C ILE A 41 108.567 -5.158 19.403 1.00 1.60 C ATOM 562 O ILE A 41 107.412 -4.860 19.633 1.00 1.65 O ATOM 563 CB ILE A 41 108.481 -3.682 17.398 1.00 1.45 C ATOM 564 CG1 ILE A 41 108.857 -3.591 15.917 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.894 -2.392 18.109 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.272 -2.309 15.309 1.00 1.34 C ATOM 0 H ILE A 41 108.180 -6.591 17.315 1.00 1.54 H new ATOM 0 HA ILE A 41 110.258 -4.625 18.152 1.00 1.54 H new ATOM 0 HB ILE A 41 107.404 -3.821 17.488 1.00 1.45 H new ATOM 0 HG12 ILE A 41 109.941 -3.594 15.807 1.00 1.47 H new ATOM 0 HG13 ILE A 41 108.480 -4.463 15.382 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.382 -1.545 17.652 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.623 -2.455 19.163 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.972 -2.256 18.019 1.00 1.50 H new ATOM 0 HD11 ILE A 41 108.543 -2.250 14.255 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.186 -2.324 15.404 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.671 -1.442 15.835 1.00 1.34 H new ATOM 578 N TRP A 42 109.304 -5.744 20.307 1.00 1.65 N ATOM 579 CA TRP A 42 108.731 -6.060 21.651 1.00 1.71 C ATOM 580 C TRP A 42 109.002 -4.893 22.603 1.00 1.77 C ATOM 581 O TRP A 42 110.004 -4.214 22.501 1.00 1.78 O ATOM 582 CB TRP A 42 109.384 -7.340 22.181 1.00 1.88 C ATOM 583 CG TRP A 42 109.032 -7.546 23.623 1.00 2.08 C ATOM 584 CD1 TRP A 42 108.038 -8.347 24.071 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.650 -6.961 24.808 1.00 2.36 C ATOM 586 NE1 TRP A 42 108.006 -8.292 25.453 1.00 2.89 N ATOM 587 CE2 TRP A 42 108.979 -7.451 25.954 1.00 2.64 C ATOM 588 CE3 TRP A 42 110.715 -6.061 24.999 1.00 3.00 C ATOM 589 CZ2 TRP A 42 109.353 -7.065 27.242 1.00 3.08 C ATOM 590 CZ3 TRP A 42 111.093 -5.671 26.295 1.00 3.68 C ATOM 591 CH2 TRP A 42 110.413 -6.172 27.414 1.00 3.56 C ATOM 0 H TRP A 42 110.278 -6.018 20.175 1.00 1.65 H new ATOM 0 HA TRP A 42 107.654 -6.211 21.576 1.00 1.71 H new ATOM 0 HB2 TRP A 42 109.052 -8.196 21.593 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.466 -7.277 22.069 1.00 1.88 H new ATOM 0 HD1 TRP A 42 107.377 -8.934 23.451 1.00 2.66 H new ATOM 0 HE1 TRP A 42 107.344 -8.810 26.031 1.00 2.89 H new ATOM 0 HE3 TRP A 42 111.245 -5.668 24.144 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.826 -7.454 28.100 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 111.913 -4.981 26.430 1.00 3.68 H new ATOM 0 HH2 TRP A 42 110.708 -5.868 28.407 1.00 3.56 H new ATOM 602 N THR A 43 108.110 -4.651 23.525 1.00 1.91 N ATOM 603 CA THR A 43 108.315 -3.525 24.477 1.00 2.07 C ATOM 604 C THR A 43 107.414 -3.716 25.702 1.00 1.92 C ATOM 605 O THR A 43 107.617 -4.611 26.498 1.00 2.17 O ATOM 606 CB THR A 43 107.967 -2.209 23.775 1.00 2.42 C ATOM 607 OG1 THR A 43 107.727 -1.203 24.745 1.00 2.72 O ATOM 608 CG2 THR A 43 106.716 -2.402 22.916 1.00 2.89 C ATOM 0 H THR A 43 107.250 -5.184 23.659 1.00 1.91 H new ATOM 0 HA THR A 43 109.355 -3.501 24.803 1.00 2.07 H new ATOM 0 HB THR A 43 108.799 -1.907 23.139 1.00 2.42 H new ATOM 0 HG1 THR A 43 107.252 -0.454 24.329 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.469 -1.465 22.417 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.903 -3.173 22.169 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.883 -2.706 23.550 1.00 2.89 H new ATOM 616 N ARG A 44 106.421 -2.883 25.859 1.00 1.96 N ATOM 617 CA ARG A 44 105.507 -3.017 27.030 1.00 1.92 C ATOM 618 C ARG A 44 106.324 -3.060 28.326 1.00 1.92 C ATOM 619 O ARG A 44 106.718 -4.113 28.787 1.00 2.18 O ATOM 620 CB ARG A 44 104.690 -4.307 26.893 1.00 2.09 C ATOM 621 CG ARG A 44 103.742 -4.455 28.095 1.00 2.62 C ATOM 622 CD ARG A 44 102.822 -5.679 27.907 1.00 3.00 C ATOM 623 NE ARG A 44 101.464 -5.377 28.462 1.00 3.63 N ATOM 624 CZ ARG A 44 101.318 -4.860 29.655 1.00 4.14 C ATOM 625 NH1 ARG A 44 102.338 -4.751 30.460 1.00 4.51 N ATOM 626 NH2 ARG A 44 100.132 -4.499 30.062 1.00 4.63 N ATOM 0 H ARG A 44 106.203 -2.114 25.226 1.00 1.96 H new ATOM 0 HA ARG A 44 104.834 -2.160 27.062 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.116 -4.288 25.966 1.00 2.09 H new ATOM 0 HB3 ARG A 44 105.358 -5.167 26.837 1.00 2.09 H new ATOM 0 HG2 ARG A 44 104.321 -4.565 29.012 1.00 2.62 H new ATOM 0 HG3 ARG A 44 103.140 -3.553 28.205 1.00 2.62 H new ATOM 0 HD2 ARG A 44 102.746 -5.930 26.849 1.00 3.00 H new ATOM 0 HD3 ARG A 44 103.247 -6.547 28.411 1.00 3.00 H new ATOM 0 HE ARG A 44 100.637 -5.578 27.899 1.00 3.63 H new ATOM 0 HH11 ARG A 44 103.260 -5.070 30.161 1.00 4.51 H new ATOM 0 HH12 ARG A 44 102.214 -4.347 31.388 1.00 4.51 H new ATOM 0 HH21 ARG A 44 99.324 -4.620 29.451 1.00 4.63 H new ATOM 0 HH22 ARG A 44 100.013 -4.095 30.991 1.00 4.63 H new ATOM 640 N GLU A 45 106.567 -1.925 28.925 1.00 1.87 N ATOM 641 CA GLU A 45 107.343 -1.903 30.199 1.00 1.94 C ATOM 642 C GLU A 45 107.317 -0.486 30.786 1.00 1.84 C ATOM 643 O GLU A 45 106.833 -0.270 31.879 1.00 1.87 O ATOM 644 CB GLU A 45 108.795 -2.342 29.935 1.00 2.09 C ATOM 645 CG GLU A 45 109.388 -2.979 31.196 1.00 2.37 C ATOM 646 CD GLU A 45 108.776 -4.366 31.403 1.00 2.40 C ATOM 647 OE1 GLU A 45 109.104 -5.257 30.636 1.00 2.73 O ATOM 648 OE2 GLU A 45 107.990 -4.514 32.324 1.00 2.89 O ATOM 0 H GLU A 45 106.262 -1.012 28.587 1.00 1.87 H new ATOM 0 HA GLU A 45 106.893 -2.594 30.911 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.824 -3.054 29.110 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.395 -1.482 29.636 1.00 2.09 H new ATOM 0 HG2 GLU A 45 110.471 -3.058 31.102 1.00 2.37 H new ATOM 0 HG3 GLU A 45 109.189 -2.349 32.063 1.00 2.37 H new ATOM 655 N ALA A 46 107.828 0.485 30.071 1.00 1.74 N ATOM 656 CA ALA A 46 107.815 1.876 30.606 1.00 1.71 C ATOM 657 C ALA A 46 106.376 2.267 30.918 1.00 1.64 C ATOM 658 O ALA A 46 106.040 2.601 32.037 1.00 1.71 O ATOM 659 CB ALA A 46 108.389 2.844 29.569 1.00 1.66 C ATOM 0 H ALA A 46 108.249 0.374 29.149 1.00 1.74 H new ATOM 0 HA ALA A 46 108.424 1.924 31.509 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.375 3.857 29.970 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.415 2.561 29.336 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.786 2.805 28.662 1.00 1.66 H new ATOM 665 N GLY A 47 105.515 2.217 29.938 1.00 1.60 N ATOM 666 CA GLY A 47 104.090 2.576 30.181 1.00 1.58 C ATOM 667 C GLY A 47 103.465 3.137 28.901 1.00 1.42 C ATOM 668 O GLY A 47 103.958 2.928 27.811 1.00 1.37 O ATOM 0 H GLY A 47 105.737 1.943 28.981 1.00 1.60 H new ATOM 0 HA2 GLY A 47 103.536 1.697 30.511 1.00 1.58 H new ATOM 0 HA3 GLY A 47 104.024 3.313 30.981 1.00 1.58 H new ATOM 672 N ALA A 48 102.377 3.849 29.031 1.00 1.40 N ATOM 673 CA ALA A 48 101.707 4.429 27.830 1.00 1.27 C ATOM 674 C ALA A 48 102.711 5.252 27.025 1.00 1.21 C ATOM 675 O ALA A 48 103.632 5.831 27.565 1.00 1.37 O ATOM 676 CB ALA A 48 100.558 5.333 28.281 1.00 1.32 C ATOM 0 H ALA A 48 101.922 4.055 29.920 1.00 1.40 H new ATOM 0 HA ALA A 48 101.320 3.622 27.207 1.00 1.27 H new ATOM 0 HB1 ALA A 48 100.066 5.759 27.407 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.838 4.748 28.854 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.950 6.137 28.904 1.00 1.32 H new ATOM 682 N GLY A 49 102.538 5.309 25.733 1.00 1.04 N ATOM 683 CA GLY A 49 103.480 6.096 24.891 1.00 1.02 C ATOM 684 C GLY A 49 103.004 6.076 23.438 1.00 0.87 C ATOM 685 O GLY A 49 102.063 5.387 23.093 1.00 0.71 O ATOM 0 H GLY A 49 101.785 4.845 25.225 1.00 1.04 H new ATOM 0 HA2 GLY A 49 103.536 7.123 25.252 1.00 1.02 H new ATOM 0 HA3 GLY A 49 104.484 5.678 24.962 1.00 1.02 H new ATOM 689 N GLY A 50 103.652 6.829 22.583 1.00 0.98 N ATOM 690 CA GLY A 50 103.258 6.872 21.138 1.00 0.86 C ATOM 691 C GLY A 50 104.483 6.576 20.276 1.00 0.86 C ATOM 692 O GLY A 50 105.489 7.253 20.354 1.00 1.06 O ATOM 0 H GLY A 50 104.445 7.422 22.826 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.474 6.141 20.940 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.851 7.852 20.888 1.00 0.86 H new ATOM 696 N LEU A 51 104.408 5.567 19.449 1.00 0.74 N ATOM 697 CA LEU A 51 105.568 5.221 18.575 1.00 0.75 C ATOM 698 C LEU A 51 105.391 5.909 17.227 1.00 0.68 C ATOM 699 O LEU A 51 104.673 5.426 16.386 1.00 0.60 O ATOM 700 CB LEU A 51 105.606 3.701 18.371 1.00 0.74 C ATOM 701 CG LEU A 51 106.898 3.287 17.633 1.00 0.81 C ATOM 702 CD1 LEU A 51 108.062 3.158 18.624 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.684 1.935 16.942 1.00 0.77 C ATOM 0 H LEU A 51 103.591 4.966 19.341 1.00 0.74 H new ATOM 0 HA LEU A 51 106.498 5.550 19.038 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.554 3.197 19.336 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.735 3.383 17.798 1.00 0.74 H new ATOM 0 HG LEU A 51 107.136 4.052 16.895 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.965 2.866 18.088 1.00 1.10 H new ATOM 0 HD12 LEU A 51 108.227 4.115 19.118 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.822 2.401 19.371 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.596 1.644 16.422 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.435 1.180 17.688 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.868 2.018 16.224 1.00 0.77 H new ATOM 715 N SER A 52 106.052 7.024 17.021 1.00 0.75 N ATOM 716 CA SER A 52 105.939 7.756 15.725 1.00 0.71 C ATOM 717 C SER A 52 106.907 7.125 14.729 1.00 0.70 C ATOM 718 O SER A 52 108.002 6.752 15.099 1.00 0.78 O ATOM 719 CB SER A 52 106.323 9.222 15.938 1.00 0.82 C ATOM 720 OG SER A 52 106.767 9.773 14.705 1.00 1.56 O ATOM 0 H SER A 52 106.671 7.460 17.705 1.00 0.75 H new ATOM 0 HA SER A 52 104.918 7.699 15.348 1.00 0.71 H new ATOM 0 HB2 SER A 52 105.468 9.783 16.314 1.00 0.82 H new ATOM 0 HB3 SER A 52 107.110 9.299 16.689 1.00 0.82 H new ATOM 0 HG SER A 52 107.013 10.713 14.836 1.00 1.56 H new ATOM 726 N ILE A 53 106.529 6.995 13.471 1.00 0.61 N ATOM 727 CA ILE A 53 107.457 6.380 12.472 1.00 0.61 C ATOM 728 C ILE A 53 107.458 7.223 11.196 1.00 0.57 C ATOM 729 O ILE A 53 106.458 7.336 10.515 1.00 0.65 O ATOM 730 CB ILE A 53 106.989 4.962 12.138 1.00 0.56 C ATOM 731 CG1 ILE A 53 107.008 4.101 13.405 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.925 4.352 11.092 1.00 0.63 C ATOM 733 CD1 ILE A 53 106.332 2.757 13.123 1.00 0.64 C ATOM 0 H ILE A 53 105.624 7.287 13.101 1.00 0.61 H new ATOM 0 HA ILE A 53 108.463 6.341 12.890 1.00 0.61 H new ATOM 0 HB ILE A 53 105.974 4.999 11.743 1.00 0.56 H new ATOM 0 HG12 ILE A 53 108.035 3.941 13.733 1.00 0.64 H new ATOM 0 HG13 ILE A 53 106.492 4.616 14.215 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.594 3.342 10.852 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.909 4.963 10.189 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.940 4.317 11.488 1.00 0.63 H new ATOM 0 HD11 ILE A 53 106.347 2.146 14.025 1.00 0.64 H new ATOM 0 HD12 ILE A 53 105.300 2.926 12.816 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.867 2.240 12.326 1.00 0.64 H new ATOM 745 N ALA A 54 108.578 7.814 10.865 1.00 0.60 N ATOM 746 CA ALA A 54 108.667 8.653 9.630 1.00 0.57 C ATOM 747 C ALA A 54 109.424 7.876 8.554 1.00 0.54 C ATOM 748 O ALA A 54 110.626 7.706 8.632 1.00 0.63 O ATOM 749 CB ALA A 54 109.425 9.943 9.949 1.00 0.69 C ATOM 0 H ALA A 54 109.443 7.751 11.402 1.00 0.60 H new ATOM 0 HA ALA A 54 107.665 8.896 9.275 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.492 10.557 9.051 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.895 10.493 10.727 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.429 9.699 10.297 1.00 0.69 H new ATOM 755 N VAL A 55 108.728 7.395 7.552 1.00 0.45 N ATOM 756 CA VAL A 55 109.399 6.616 6.458 1.00 0.47 C ATOM 757 C VAL A 55 109.588 7.517 5.228 1.00 0.41 C ATOM 758 O VAL A 55 108.682 8.215 4.811 1.00 0.39 O ATOM 759 CB VAL A 55 108.537 5.375 6.067 1.00 0.47 C ATOM 760 CG1 VAL A 55 109.280 4.076 6.409 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.207 5.392 6.829 1.00 0.79 C ATOM 0 H VAL A 55 107.720 7.508 7.443 1.00 0.45 H new ATOM 0 HA VAL A 55 110.370 6.272 6.815 1.00 0.47 H new ATOM 0 HB VAL A 55 108.350 5.419 4.994 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.665 3.221 6.130 1.00 0.91 H new ATOM 0 HG12 VAL A 55 110.221 4.040 5.861 1.00 0.91 H new ATOM 0 HG13 VAL A 55 109.482 4.044 7.480 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.615 4.521 6.547 1.00 0.79 H new ATOM 0 HG22 VAL A 55 107.402 5.367 7.901 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.657 6.300 6.581 1.00 0.79 H new ATOM 771 N GLU A 56 110.753 7.477 4.629 1.00 0.44 N ATOM 772 CA GLU A 56 111.014 8.291 3.404 1.00 0.40 C ATOM 773 C GLU A 56 111.710 7.383 2.392 1.00 0.43 C ATOM 774 O GLU A 56 112.518 6.549 2.748 1.00 0.52 O ATOM 775 CB GLU A 56 111.897 9.503 3.753 1.00 0.47 C ATOM 776 CG GLU A 56 112.218 10.323 2.489 1.00 0.49 C ATOM 777 CD GLU A 56 111.003 11.169 2.096 1.00 1.08 C ATOM 778 OE1 GLU A 56 110.259 11.555 2.981 1.00 1.71 O ATOM 779 OE2 GLU A 56 110.840 11.419 0.913 1.00 1.80 O ATOM 0 H GLU A 56 111.541 6.909 4.941 1.00 0.44 H new ATOM 0 HA GLU A 56 110.083 8.675 2.986 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.387 10.133 4.482 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.823 9.163 4.217 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.078 10.968 2.671 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.488 9.656 1.670 1.00 0.49 H new ATOM 786 N GLY A 57 111.396 7.528 1.137 1.00 0.41 N ATOM 787 CA GLY A 57 112.034 6.659 0.110 1.00 0.49 C ATOM 788 C GLY A 57 111.347 6.880 -1.243 1.00 0.45 C ATOM 789 O GLY A 57 110.480 7.719 -1.350 1.00 0.44 O ATOM 0 H GLY A 57 110.727 8.209 0.777 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.097 6.889 0.032 1.00 0.49 H new ATOM 0 HA3 GLY A 57 111.955 5.612 0.404 1.00 0.49 H new ATOM 793 N PRO A 58 111.759 6.127 -2.243 1.00 0.50 N ATOM 794 CA PRO A 58 111.182 6.242 -3.600 1.00 0.52 C ATOM 795 C PRO A 58 109.687 5.915 -3.613 1.00 0.54 C ATOM 796 O PRO A 58 108.951 6.410 -4.444 1.00 0.56 O ATOM 797 CB PRO A 58 111.964 5.226 -4.453 1.00 0.63 C ATOM 798 CG PRO A 58 113.055 4.589 -3.546 1.00 0.66 C ATOM 799 CD PRO A 58 112.835 5.121 -2.112 1.00 0.60 C ATOM 0 HA PRO A 58 111.266 7.260 -3.980 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.295 4.459 -4.843 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.420 5.718 -5.312 1.00 0.63 H new ATOM 0 HG2 PRO A 58 112.984 3.502 -3.567 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.051 4.850 -3.903 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.546 4.319 -1.433 1.00 0.60 H new ATOM 0 HD3 PRO A 58 113.746 5.566 -1.711 1.00 0.60 H new ATOM 807 N SER A 59 109.229 5.088 -2.717 1.00 0.56 N ATOM 808 CA SER A 59 107.770 4.736 -2.705 1.00 0.60 C ATOM 809 C SER A 59 107.267 4.604 -1.268 1.00 0.55 C ATOM 810 O SER A 59 108.034 4.477 -0.337 1.00 0.55 O ATOM 811 CB SER A 59 107.564 3.410 -3.438 1.00 0.71 C ATOM 812 OG SER A 59 107.819 2.335 -2.544 1.00 1.55 O ATOM 0 H SER A 59 109.792 4.640 -1.994 1.00 0.56 H new ATOM 0 HA SER A 59 107.211 5.528 -3.204 1.00 0.60 H new ATOM 0 HB2 SER A 59 106.545 3.347 -3.820 1.00 0.71 H new ATOM 0 HB3 SER A 59 108.231 3.349 -4.298 1.00 0.71 H new ATOM 0 HG SER A 59 108.733 2.406 -2.199 1.00 1.55 H new ATOM 818 N LYS A 60 105.973 4.636 -1.088 1.00 0.59 N ATOM 819 CA LYS A 60 105.400 4.513 0.281 1.00 0.57 C ATOM 820 C LYS A 60 105.356 3.038 0.679 1.00 0.63 C ATOM 821 O LYS A 60 104.660 2.244 0.078 1.00 0.73 O ATOM 822 CB LYS A 60 103.980 5.085 0.289 1.00 0.63 C ATOM 823 CG LYS A 60 104.013 6.562 -0.125 1.00 1.23 C ATOM 824 CD LYS A 60 102.616 7.008 -0.570 1.00 1.29 C ATOM 825 CE LYS A 60 101.636 6.892 0.600 1.00 1.87 C ATOM 826 NZ LYS A 60 102.223 7.539 1.808 1.00 2.53 N ATOM 0 H LYS A 60 105.287 4.743 -1.835 1.00 0.59 H new ATOM 0 HA LYS A 60 106.019 5.064 0.989 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.347 4.520 -0.395 1.00 0.63 H new ATOM 0 HB3 LYS A 60 103.544 4.986 1.283 1.00 0.63 H new ATOM 0 HG2 LYS A 60 104.352 7.176 0.710 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.726 6.706 -0.937 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.650 8.037 -0.927 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.276 6.393 -1.403 1.00 1.29 H new ATOM 0 HE2 LYS A 60 100.689 7.368 0.344 1.00 1.87 H new ATOM 0 HE3 LYS A 60 101.420 5.843 0.805 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.459 7.887 2.421 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 102.797 6.845 2.329 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 102.824 8.336 1.517 1.00 2.53 H new ATOM 840 N ALA A 61 106.095 2.664 1.686 1.00 0.66 N ATOM 841 CA ALA A 61 106.097 1.238 2.118 1.00 0.76 C ATOM 842 C ALA A 61 104.868 0.962 2.988 1.00 0.77 C ATOM 843 O ALA A 61 104.593 1.675 3.934 1.00 0.78 O ATOM 844 CB ALA A 61 107.366 0.956 2.925 1.00 0.82 C ATOM 0 H ALA A 61 106.697 3.283 2.228 1.00 0.66 H new ATOM 0 HA ALA A 61 106.070 0.593 1.240 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.371 -0.087 3.243 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.242 1.151 2.306 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.391 1.603 3.802 1.00 0.82 H new ATOM 850 N GLU A 62 104.127 -0.070 2.682 1.00 0.88 N ATOM 851 CA GLU A 62 102.922 -0.388 3.500 1.00 0.93 C ATOM 852 C GLU A 62 103.383 -0.848 4.889 1.00 0.96 C ATOM 853 O GLU A 62 104.551 -1.047 5.115 1.00 1.43 O ATOM 854 CB GLU A 62 102.106 -1.492 2.798 1.00 1.11 C ATOM 855 CG GLU A 62 100.628 -1.421 3.206 1.00 1.50 C ATOM 856 CD GLU A 62 99.999 -0.139 2.654 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.657 0.533 1.877 1.00 2.14 O ATOM 858 OE2 GLU A 62 98.871 0.149 3.019 1.00 2.30 O ATOM 0 H GLU A 62 104.304 -0.704 1.903 1.00 0.88 H new ATOM 0 HA GLU A 62 102.287 0.491 3.608 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.195 -1.384 1.717 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.512 -2.470 3.055 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.094 -2.292 2.826 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.540 -1.442 4.292 1.00 1.50 H new ATOM 865 N ILE A 63 102.477 -1.003 5.819 1.00 0.97 N ATOM 866 CA ILE A 63 102.851 -1.436 7.202 1.00 0.94 C ATOM 867 C ILE A 63 101.798 -2.430 7.699 1.00 1.01 C ATOM 868 O ILE A 63 100.665 -2.406 7.259 1.00 1.06 O ATOM 869 CB ILE A 63 102.880 -0.214 8.140 1.00 0.89 C ATOM 870 CG1 ILE A 63 103.682 0.947 7.494 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.538 -0.622 9.464 1.00 1.28 C ATOM 872 CD1 ILE A 63 102.742 1.870 6.704 1.00 1.40 C ATOM 0 H ILE A 63 101.479 -0.846 5.678 1.00 0.97 H new ATOM 0 HA ILE A 63 103.837 -1.901 7.192 1.00 0.94 H new ATOM 0 HB ILE A 63 101.860 0.128 8.318 1.00 0.89 H new ATOM 0 HG12 ILE A 63 104.197 1.517 8.268 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.448 0.544 6.832 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.564 0.235 10.137 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.963 -1.426 9.923 1.00 1.28 H new ATOM 0 HG23 ILE A 63 104.555 -0.966 9.274 1.00 1.28 H new ATOM 0 HD11 ILE A 63 103.318 2.680 6.257 1.00 1.40 H new ATOM 0 HD12 ILE A 63 102.247 1.299 5.918 1.00 1.40 H new ATOM 0 HD13 ILE A 63 101.992 2.287 7.376 1.00 1.40 H new ATOM 884 N ALA A 64 102.146 -3.314 8.603 1.00 1.04 N ATOM 885 CA ALA A 64 101.139 -4.299 9.095 1.00 1.13 C ATOM 886 C ALA A 64 101.467 -4.698 10.538 1.00 1.14 C ATOM 887 O ALA A 64 102.479 -5.314 10.806 1.00 1.36 O ATOM 888 CB ALA A 64 101.163 -5.537 8.185 1.00 1.26 C ATOM 0 H ALA A 64 103.075 -3.394 9.016 1.00 1.04 H new ATOM 0 HA ALA A 64 100.145 -3.853 9.073 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.430 -6.262 8.538 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.920 -5.243 7.164 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.156 -5.985 8.207 1.00 1.26 H new ATOM 894 N PHE A 65 100.613 -4.358 11.468 1.00 1.16 N ATOM 895 CA PHE A 65 100.867 -4.723 12.894 1.00 1.16 C ATOM 896 C PHE A 65 100.187 -6.060 13.200 1.00 1.28 C ATOM 897 O PHE A 65 98.993 -6.210 13.035 1.00 1.35 O ATOM 898 CB PHE A 65 100.290 -3.638 13.807 1.00 1.11 C ATOM 899 CG PHE A 65 98.822 -3.454 13.505 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.420 -2.586 12.483 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.863 -4.152 14.248 1.00 1.30 C ATOM 902 CE1 PHE A 65 97.058 -2.416 12.204 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.501 -3.982 13.969 1.00 1.43 C ATOM 904 CZ PHE A 65 96.099 -3.114 12.948 1.00 1.47 C ATOM 0 H PHE A 65 99.749 -3.842 11.301 1.00 1.16 H new ATOM 0 HA PHE A 65 101.940 -4.809 13.065 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.425 -3.917 14.852 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.824 -2.700 13.657 1.00 1.11 H new ATOM 0 HD1 PHE A 65 99.160 -2.047 11.910 1.00 1.23 H new ATOM 0 HD2 PHE A 65 98.173 -4.822 15.036 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.748 -1.747 11.415 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.761 -4.521 14.542 1.00 1.43 H new ATOM 0 HZ PHE A 65 95.049 -2.982 12.734 1.00 1.47 H new ATOM 914 N GLU A 66 100.940 -7.036 13.643 1.00 1.35 N ATOM 915 CA GLU A 66 100.343 -8.371 13.959 1.00 1.50 C ATOM 916 C GLU A 66 101.001 -8.940 15.218 1.00 1.54 C ATOM 917 O GLU A 66 102.198 -9.144 15.266 1.00 1.61 O ATOM 918 CB GLU A 66 100.585 -9.326 12.788 1.00 1.62 C ATOM 919 CG GLU A 66 99.755 -10.597 12.984 1.00 1.80 C ATOM 920 CD GLU A 66 99.967 -11.534 11.794 1.00 1.94 C ATOM 921 OE1 GLU A 66 99.299 -11.345 10.790 1.00 2.51 O ATOM 922 OE2 GLU A 66 100.793 -12.425 11.905 1.00 2.01 O ATOM 0 H GLU A 66 101.945 -6.966 13.800 1.00 1.35 H new ATOM 0 HA GLU A 66 99.272 -8.259 14.126 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.313 -8.843 11.849 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.644 -9.577 12.723 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.046 -11.095 13.909 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.699 -10.344 13.077 1.00 1.80 H new ATOM 1006 N SER A 72 105.074 -9.694 21.910 1.00 1.78 N ATOM 1007 CA SER A 72 106.020 -9.230 20.850 1.00 1.72 C ATOM 1008 C SER A 72 105.218 -8.675 19.671 1.00 1.60 C ATOM 1009 O SER A 72 104.405 -9.361 19.085 1.00 1.64 O ATOM 1010 CB SER A 72 106.868 -10.410 20.376 1.00 1.82 C ATOM 1011 OG SER A 72 106.021 -11.393 19.795 1.00 2.20 O ATOM 0 HA SER A 72 106.670 -8.453 21.251 1.00 1.72 H new ATOM 0 HB2 SER A 72 107.606 -10.073 19.648 1.00 1.82 H new ATOM 0 HB3 SER A 72 107.419 -10.837 21.214 1.00 1.82 H new ATOM 0 HG SER A 72 105.289 -10.952 19.315 1.00 2.20 H new ATOM 1017 N CYS A 73 105.436 -7.434 19.320 1.00 1.50 N ATOM 1018 CA CYS A 73 104.680 -6.834 18.178 1.00 1.40 C ATOM 1019 C CYS A 73 105.443 -7.071 16.874 1.00 1.37 C ATOM 1020 O CYS A 73 106.647 -6.916 16.814 1.00 1.39 O ATOM 1021 CB CYS A 73 104.518 -5.330 18.408 1.00 1.31 C ATOM 1022 SG CYS A 73 103.362 -4.654 17.191 1.00 2.05 S ATOM 0 H CYS A 73 106.104 -6.810 19.773 1.00 1.50 H new ATOM 0 HA CYS A 73 103.697 -7.301 18.111 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.151 -5.143 19.417 1.00 1.31 H new ATOM 0 HB3 CYS A 73 105.484 -4.832 18.323 1.00 1.31 H new ATOM 0 HG CYS A 73 103.223 -3.377 17.388 1.00 2.05 H new ATOM 1028 N GLY A 74 104.746 -7.450 15.828 1.00 1.39 N ATOM 1029 CA GLY A 74 105.413 -7.706 14.509 1.00 1.38 C ATOM 1030 C GLY A 74 104.939 -6.677 13.484 1.00 1.28 C ATOM 1031 O GLY A 74 103.785 -6.648 13.103 1.00 1.26 O ATOM 0 H GLY A 74 103.736 -7.594 15.831 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.496 -7.650 14.621 1.00 1.38 H new ATOM 0 HA3 GLY A 74 105.180 -8.713 14.162 1.00 1.38 H new ATOM 1035 N VAL A 75 105.827 -5.834 13.030 1.00 1.25 N ATOM 1036 CA VAL A 75 105.443 -4.796 12.016 1.00 1.16 C ATOM 1037 C VAL A 75 105.862 -5.261 10.621 1.00 1.20 C ATOM 1038 O VAL A 75 107.024 -5.236 10.266 1.00 1.25 O ATOM 1039 CB VAL A 75 106.142 -3.477 12.351 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.866 -2.457 11.246 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.602 -2.944 13.681 1.00 1.57 C ATOM 0 H VAL A 75 106.806 -5.815 13.316 1.00 1.25 H new ATOM 0 HA VAL A 75 104.363 -4.650 12.036 1.00 1.16 H new ATOM 0 HB VAL A 75 107.216 -3.643 12.430 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.364 -1.518 11.485 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.245 -2.837 10.297 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.792 -2.288 11.167 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.097 -2.004 13.924 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.528 -2.777 13.597 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.796 -3.671 14.470 1.00 1.57 H new ATOM 1051 N SER A 76 104.913 -5.685 9.827 1.00 1.22 N ATOM 1052 CA SER A 76 105.227 -6.155 8.446 1.00 1.29 C ATOM 1053 C SER A 76 105.021 -4.997 7.466 1.00 1.19 C ATOM 1054 O SER A 76 104.037 -4.294 7.526 1.00 1.20 O ATOM 1055 CB SER A 76 104.289 -7.323 8.089 1.00 1.40 C ATOM 1056 OG SER A 76 103.767 -7.142 6.777 1.00 1.85 O ATOM 0 H SER A 76 103.926 -5.726 10.079 1.00 1.22 H new ATOM 0 HA SER A 76 106.261 -6.494 8.388 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.831 -8.267 8.147 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.473 -7.379 8.810 1.00 1.40 H new ATOM 0 HG SER A 76 103.172 -7.889 6.556 1.00 1.85 H new ATOM 1062 N TYR A 77 105.946 -4.793 6.563 1.00 1.21 N ATOM 1063 CA TYR A 77 105.812 -3.676 5.574 1.00 1.12 C ATOM 1064 C TYR A 77 106.179 -4.193 4.184 1.00 1.20 C ATOM 1065 O TYR A 77 106.643 -5.306 4.033 1.00 1.43 O ATOM 1066 CB TYR A 77 106.776 -2.546 5.954 1.00 1.07 C ATOM 1067 CG TYR A 77 108.194 -3.052 5.915 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.892 -3.074 4.702 1.00 1.18 C ATOM 1069 CD2 TYR A 77 108.815 -3.489 7.088 1.00 1.33 C ATOM 1070 CE1 TYR A 77 110.212 -3.534 4.663 1.00 1.28 C ATOM 1071 CE2 TYR A 77 110.135 -3.950 7.049 1.00 1.47 C ATOM 1072 CZ TYR A 77 110.834 -3.971 5.836 1.00 1.39 C ATOM 1073 OH TYR A 77 112.136 -4.424 5.798 1.00 1.54 O ATOM 0 H TYR A 77 106.793 -5.354 6.466 1.00 1.21 H new ATOM 0 HA TYR A 77 104.787 -3.305 5.576 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.660 -1.709 5.265 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.540 -2.174 6.951 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.411 -2.736 3.796 1.00 1.18 H new ATOM 0 HD2 TYR A 77 108.276 -3.471 8.024 1.00 1.33 H new ATOM 0 HE1 TYR A 77 110.751 -3.552 3.727 1.00 1.28 H new ATOM 0 HE2 TYR A 77 110.615 -4.290 7.955 1.00 1.47 H new ATOM 0 HH TYR A 77 112.739 -3.714 6.103 1.00 1.54 H new ATOM 1083 N VAL A 78 105.981 -3.394 3.163 1.00 1.13 N ATOM 1084 CA VAL A 78 106.329 -3.849 1.776 1.00 1.21 C ATOM 1085 C VAL A 78 106.957 -2.695 0.987 1.00 1.14 C ATOM 1086 O VAL A 78 106.338 -1.677 0.753 1.00 1.11 O ATOM 1087 CB VAL A 78 105.058 -4.337 1.065 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.156 -3.144 0.708 1.00 1.81 C ATOM 1089 CG2 VAL A 78 105.451 -5.090 -0.212 1.00 1.90 C ATOM 0 H VAL A 78 105.596 -2.452 3.227 1.00 1.13 H new ATOM 0 HA VAL A 78 107.048 -4.666 1.835 1.00 1.21 H new ATOM 0 HB VAL A 78 104.509 -5.003 1.730 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.259 -3.504 0.205 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.874 -2.616 1.619 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.695 -2.465 0.047 1.00 1.81 H new ATOM 0 HG21 VAL A 78 104.552 -5.438 -0.720 1.00 1.90 H new ATOM 0 HG22 VAL A 78 106.005 -4.423 -0.872 1.00 1.90 H new ATOM 0 HG23 VAL A 78 106.076 -5.945 0.047 1.00 1.90 H new ATOM 1099 N VAL A 79 108.186 -2.856 0.570 1.00 1.17 N ATOM 1100 CA VAL A 79 108.866 -1.783 -0.214 1.00 1.11 C ATOM 1101 C VAL A 79 108.530 -1.962 -1.694 1.00 1.15 C ATOM 1102 O VAL A 79 108.260 -3.057 -2.145 1.00 1.24 O ATOM 1103 CB VAL A 79 110.377 -1.892 -0.011 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.736 -1.453 1.418 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.809 -3.346 -0.228 1.00 1.27 C ATOM 0 H VAL A 79 108.750 -3.689 0.740 1.00 1.17 H new ATOM 0 HA VAL A 79 108.528 -0.803 0.121 1.00 1.11 H new ATOM 0 HB VAL A 79 110.892 -1.248 -0.724 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.814 -1.531 1.563 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.423 -0.420 1.571 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.226 -2.096 2.135 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.886 -3.431 -0.085 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.296 -3.989 0.488 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.552 -3.654 -1.242 1.00 1.27 H new ATOM 1115 N GLN A 80 108.528 -0.900 -2.456 1.00 1.10 N ATOM 1116 CA GLN A 80 108.185 -1.019 -3.905 1.00 1.15 C ATOM 1117 C GLN A 80 109.451 -1.170 -4.756 1.00 1.17 C ATOM 1118 O GLN A 80 109.515 -2.024 -5.618 1.00 1.25 O ATOM 1119 CB GLN A 80 107.412 0.231 -4.343 1.00 1.11 C ATOM 1120 CG GLN A 80 106.632 -0.067 -5.628 1.00 1.18 C ATOM 1121 CD GLN A 80 105.438 -0.967 -5.303 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.522 -2.174 -5.421 1.00 2.47 O ATOM 1123 NE2 GLN A 80 104.321 -0.429 -4.898 1.00 2.48 N ATOM 0 H GLN A 80 108.749 0.044 -2.139 1.00 1.10 H new ATOM 0 HA GLN A 80 107.570 -1.907 -4.049 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.727 0.541 -3.554 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.103 1.058 -4.509 1.00 1.11 H new ATOM 0 HG2 GLN A 80 106.288 0.863 -6.081 1.00 1.18 H new ATOM 0 HG3 GLN A 80 107.281 -0.555 -6.355 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.249 0.584 -4.799 1.00 2.48 H new ATOM 0 HE22 GLN A 80 103.519 -1.021 -4.681 1.00 2.48 H new ATOM 1132 N GLU A 81 110.465 -0.357 -4.547 1.00 1.11 N ATOM 1133 CA GLU A 81 111.703 -0.499 -5.391 1.00 1.13 C ATOM 1134 C GLU A 81 112.955 0.014 -4.631 1.00 1.07 C ATOM 1135 O GLU A 81 112.846 0.889 -3.795 1.00 0.98 O ATOM 1136 CB GLU A 81 111.558 0.278 -6.734 1.00 1.11 C ATOM 1137 CG GLU A 81 110.140 0.815 -6.894 1.00 1.43 C ATOM 1138 CD GLU A 81 110.079 1.750 -8.103 1.00 1.37 C ATOM 1139 OE1 GLU A 81 111.083 1.869 -8.786 1.00 1.65 O ATOM 1140 OE2 GLU A 81 109.029 2.330 -8.325 1.00 1.92 O ATOM 0 H GLU A 81 110.492 0.383 -3.845 1.00 1.11 H new ATOM 0 HA GLU A 81 111.828 -1.560 -5.608 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.270 1.103 -6.762 1.00 1.11 H new ATOM 0 HB3 GLU A 81 111.800 -0.380 -7.569 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.440 -0.010 -7.024 1.00 1.43 H new ATOM 0 HG3 GLU A 81 109.839 1.349 -5.993 1.00 1.43 H new ATOM 1147 N PRO A 82 114.116 -0.536 -4.967 1.00 1.14 N ATOM 1148 CA PRO A 82 115.404 -0.147 -4.362 1.00 1.14 C ATOM 1149 C PRO A 82 115.532 1.340 -4.101 1.00 1.00 C ATOM 1150 O PRO A 82 114.791 2.161 -4.604 1.00 0.91 O ATOM 1151 CB PRO A 82 116.444 -0.626 -5.376 1.00 1.23 C ATOM 1152 CG PRO A 82 115.787 -1.820 -6.082 1.00 1.30 C ATOM 1153 CD PRO A 82 114.264 -1.614 -5.968 1.00 1.26 C ATOM 0 HA PRO A 82 115.523 -0.591 -3.374 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.696 0.162 -6.085 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.371 -0.920 -4.883 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.094 -1.870 -7.127 1.00 1.30 H new ATOM 0 HG3 PRO A 82 116.087 -2.759 -5.616 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.828 -1.330 -6.926 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.762 -2.527 -5.647 1.00 1.26 H new ATOM 1161 N GLY A 83 116.497 1.666 -3.295 1.00 0.99 N ATOM 1162 CA GLY A 83 116.754 3.089 -2.936 1.00 0.89 C ATOM 1163 C GLY A 83 117.230 3.158 -1.487 1.00 0.92 C ATOM 1164 O GLY A 83 117.597 2.159 -0.896 1.00 1.02 O ATOM 0 H GLY A 83 117.132 0.996 -2.860 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.506 3.515 -3.600 1.00 0.89 H new ATOM 0 HA3 GLY A 83 115.846 3.679 -3.063 1.00 0.89 H new ATOM 1168 N ASP A 84 117.215 4.330 -0.908 1.00 0.87 N ATOM 1169 CA ASP A 84 117.654 4.493 0.511 1.00 0.93 C ATOM 1170 C ASP A 84 116.427 4.783 1.371 1.00 0.83 C ATOM 1171 O ASP A 84 116.042 5.920 1.555 1.00 0.76 O ATOM 1172 CB ASP A 84 118.629 5.669 0.607 1.00 0.98 C ATOM 1173 CG ASP A 84 119.716 5.524 -0.459 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.157 4.408 -0.679 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.088 6.531 -1.039 1.00 2.13 O ATOM 0 H ASP A 84 116.914 5.192 -1.363 1.00 0.87 H new ATOM 0 HA ASP A 84 118.147 3.584 0.857 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.095 6.609 0.470 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.080 5.700 1.599 1.00 0.98 H new ATOM 1180 N TYR A 85 115.805 3.766 1.902 1.00 0.84 N ATOM 1181 CA TYR A 85 114.605 3.995 2.750 1.00 0.76 C ATOM 1182 C TYR A 85 115.082 4.441 4.134 1.00 0.80 C ATOM 1183 O TYR A 85 115.958 3.841 4.721 1.00 0.92 O ATOM 1184 CB TYR A 85 113.786 2.692 2.833 1.00 0.80 C ATOM 1185 CG TYR A 85 112.665 2.714 1.816 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.479 3.396 2.103 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.817 2.057 0.589 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.442 3.422 1.165 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.781 2.082 -0.351 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.593 2.765 -0.064 1.00 0.67 C ATOM 1191 OH TYR A 85 109.571 2.790 -0.991 1.00 0.68 O ATOM 0 H TYR A 85 116.076 2.790 1.785 1.00 0.84 H new ATOM 0 HA TYR A 85 113.964 4.768 2.326 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.434 1.834 2.652 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.375 2.575 3.836 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.363 3.903 3.050 1.00 0.64 H new ATOM 0 HD2 TYR A 85 113.734 1.531 0.368 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.525 3.948 1.387 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.898 1.575 -1.297 1.00 0.75 H new ATOM 0 HH TYR A 85 108.721 2.964 -0.536 1.00 0.68 H new ATOM 1201 N GLU A 86 114.522 5.509 4.636 1.00 0.73 N ATOM 1202 CA GLU A 86 114.935 6.057 5.972 1.00 0.78 C ATOM 1203 C GLU A 86 113.757 5.947 6.939 1.00 0.74 C ATOM 1204 O GLU A 86 112.665 6.377 6.639 1.00 0.68 O ATOM 1205 CB GLU A 86 115.365 7.551 5.827 1.00 0.78 C ATOM 1206 CG GLU A 86 115.330 7.999 4.352 1.00 0.72 C ATOM 1207 CD GLU A 86 116.552 7.446 3.618 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.027 6.392 4.008 1.00 1.26 O ATOM 1209 OE2 GLU A 86 116.993 8.086 2.678 1.00 1.53 O ATOM 0 H GLU A 86 113.783 6.037 4.173 1.00 0.73 H new ATOM 0 HA GLU A 86 115.781 5.486 6.356 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.701 8.182 6.418 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.370 7.684 6.227 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.416 7.645 3.876 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.319 9.087 4.292 1.00 0.72 H new ATOM 1216 N VAL A 87 113.978 5.373 8.096 1.00 0.81 N ATOM 1217 CA VAL A 87 112.880 5.222 9.098 1.00 0.78 C ATOM 1218 C VAL A 87 113.305 5.836 10.434 1.00 0.86 C ATOM 1219 O VAL A 87 114.438 5.703 10.860 1.00 0.99 O ATOM 1220 CB VAL A 87 112.594 3.732 9.280 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.740 3.061 10.043 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.289 3.549 10.058 1.00 0.83 C ATOM 0 H VAL A 87 114.880 5.000 8.391 1.00 0.81 H new ATOM 0 HA VAL A 87 111.984 5.735 8.749 1.00 0.78 H new ATOM 0 HB VAL A 87 112.502 3.270 8.297 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.523 2.000 10.166 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.668 3.180 9.484 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.845 3.525 11.023 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.088 2.485 10.186 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.379 4.022 11.036 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.469 4.009 9.507 1.00 0.83 H new ATOM 1232 N SER A 88 112.391 6.501 11.098 1.00 0.81 N ATOM 1233 CA SER A 88 112.704 7.129 12.420 1.00 0.91 C ATOM 1234 C SER A 88 111.643 6.708 13.431 1.00 0.87 C ATOM 1235 O SER A 88 110.551 7.240 13.462 1.00 0.84 O ATOM 1236 CB SER A 88 112.708 8.651 12.277 1.00 0.94 C ATOM 1237 OG SER A 88 113.562 9.019 11.201 1.00 1.59 O ATOM 0 H SER A 88 111.432 6.637 10.777 1.00 0.81 H new ATOM 0 HA SER A 88 113.686 6.803 12.762 1.00 0.91 H new ATOM 0 HB2 SER A 88 111.696 9.013 12.094 1.00 0.94 H new ATOM 0 HB3 SER A 88 113.050 9.114 13.203 1.00 0.94 H new ATOM 0 HG SER A 88 113.566 9.994 11.105 1.00 1.59 H new ATOM 1243 N ILE A 89 111.960 5.740 14.251 1.00 0.99 N ATOM 1244 CA ILE A 89 110.987 5.243 15.268 1.00 0.98 C ATOM 1245 C ILE A 89 111.381 5.739 16.665 1.00 1.08 C ATOM 1246 O ILE A 89 112.529 5.682 17.058 1.00 1.20 O ATOM 1247 CB ILE A 89 110.979 3.706 15.225 1.00 1.03 C ATOM 1248 CG1 ILE A 89 112.177 3.146 16.017 1.00 1.19 C ATOM 1249 CG2 ILE A 89 111.058 3.250 13.763 1.00 1.00 C ATOM 1250 CD1 ILE A 89 112.416 1.672 15.664 1.00 1.29 C ATOM 0 H ILE A 89 112.864 5.267 14.259 1.00 0.99 H new ATOM 0 HA ILE A 89 109.989 5.622 15.046 1.00 0.98 H new ATOM 0 HB ILE A 89 110.061 3.333 15.678 1.00 1.03 H new ATOM 0 HG12 ILE A 89 113.071 3.728 15.795 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.991 3.244 17.086 1.00 1.19 H new ATOM 0 HG21 ILE A 89 111.053 2.161 13.721 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.200 3.638 13.214 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.977 3.626 13.314 1.00 1.00 H new ATOM 0 HD11 ILE A 89 113.266 1.295 16.233 1.00 1.29 H new ATOM 0 HD12 ILE A 89 111.528 1.090 15.910 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.625 1.582 14.598 1.00 1.29 H new ATOM 1262 N LYS A 90 110.426 6.216 17.416 1.00 1.05 N ATOM 1263 CA LYS A 90 110.703 6.711 18.788 1.00 1.16 C ATOM 1264 C LYS A 90 109.513 6.363 19.670 1.00 1.11 C ATOM 1265 O LYS A 90 108.404 6.776 19.404 1.00 1.01 O ATOM 1266 CB LYS A 90 110.836 8.230 18.760 1.00 1.22 C ATOM 1267 CG LYS A 90 109.517 8.849 18.233 1.00 1.15 C ATOM 1268 CD LYS A 90 109.796 10.168 17.480 1.00 1.34 C ATOM 1269 CE LYS A 90 110.029 9.880 15.994 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.295 9.111 15.827 1.00 1.58 N ATOM 0 H LYS A 90 109.450 6.283 17.128 1.00 1.05 H new ATOM 0 HA LYS A 90 111.620 6.259 19.166 1.00 1.16 H new ATOM 0 HB2 LYS A 90 111.054 8.606 19.760 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.669 8.522 18.121 1.00 1.22 H new ATOM 0 HG2 LYS A 90 109.018 8.143 17.568 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.839 9.036 19.066 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.954 10.850 17.600 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.670 10.662 17.905 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.191 9.314 15.587 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.083 10.815 15.436 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.853 9.525 15.053 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.844 9.150 16.709 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.072 8.120 15.602 1.00 1.58 H new ATOM 1284 N PHE A 91 109.718 5.638 20.728 1.00 1.21 N ATOM 1285 CA PHE A 91 108.562 5.316 21.615 1.00 1.18 C ATOM 1286 C PHE A 91 108.314 6.518 22.521 1.00 1.22 C ATOM 1287 O PHE A 91 109.017 6.739 23.483 1.00 1.34 O ATOM 1288 CB PHE A 91 108.862 4.071 22.454 1.00 1.29 C ATOM 1289 CG PHE A 91 107.617 3.669 23.214 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.516 3.151 22.520 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.560 3.816 24.607 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.360 2.780 23.217 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.402 3.444 25.303 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.303 2.926 24.607 1.00 1.24 C ATOM 0 H PHE A 91 110.619 5.257 21.018 1.00 1.21 H new ATOM 0 HA PHE A 91 107.676 5.107 21.015 1.00 1.18 H new ATOM 0 HB2 PHE A 91 109.189 3.254 21.810 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.677 4.274 23.149 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.559 3.038 21.447 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.408 4.216 25.143 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.512 2.381 22.681 1.00 1.22 H new ATOM 0 HE2 PHE A 91 106.357 3.557 26.376 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.411 2.639 25.144 1.00 1.24 H new ATOM 1304 N ASN A 92 107.331 7.313 22.201 1.00 1.15 N ATOM 1305 CA ASN A 92 107.043 8.522 23.021 1.00 1.23 C ATOM 1306 C ASN A 92 108.165 9.548 22.809 1.00 1.32 C ATOM 1307 O ASN A 92 108.586 10.215 23.730 1.00 1.42 O ATOM 1308 CB ASN A 92 106.946 8.136 24.510 1.00 1.32 C ATOM 1309 CG ASN A 92 106.052 9.134 25.253 1.00 1.74 C ATOM 1310 OD1 ASN A 92 106.469 9.736 26.222 1.00 2.32 O ATOM 1311 ND2 ASN A 92 104.832 9.336 24.836 1.00 2.24 N ATOM 0 H ASN A 92 106.712 7.176 21.402 1.00 1.15 H new ATOM 0 HA ASN A 92 106.092 8.957 22.715 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.540 7.129 24.607 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.940 8.123 24.956 1.00 1.32 H new ATOM 0 HD21 ASN A 92 104.230 9.999 25.324 1.00 2.24 H new ATOM 0 HD22 ASN A 92 104.481 8.831 24.022 1.00 2.24 H new ATOM 1318 N ASP A 93 108.643 9.671 21.594 1.00 1.28 N ATOM 1319 CA ASP A 93 109.732 10.649 21.285 1.00 1.37 C ATOM 1320 C ASP A 93 111.082 10.159 21.806 1.00 1.45 C ATOM 1321 O ASP A 93 112.033 10.915 21.852 1.00 1.53 O ATOM 1322 CB ASP A 93 109.423 12.020 21.886 1.00 1.46 C ATOM 1323 CG ASP A 93 107.925 12.307 21.769 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.340 11.899 20.779 1.00 1.83 O ATOM 1325 OD2 ASP A 93 107.388 12.931 22.670 1.00 1.92 O ATOM 0 H ASP A 93 108.320 9.128 20.793 1.00 1.28 H new ATOM 0 HA ASP A 93 109.786 10.738 20.200 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.728 12.046 22.932 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.993 12.792 21.368 1.00 1.46 H new ATOM 1330 N GLU A 94 111.203 8.900 22.155 1.00 1.43 N ATOM 1331 CA GLU A 94 112.533 8.388 22.618 1.00 1.53 C ATOM 1332 C GLU A 94 113.183 7.701 21.420 1.00 1.52 C ATOM 1333 O GLU A 94 112.894 6.565 21.093 1.00 1.48 O ATOM 1334 CB GLU A 94 112.377 7.432 23.816 1.00 1.56 C ATOM 1335 CG GLU A 94 111.680 6.117 23.411 1.00 1.95 C ATOM 1336 CD GLU A 94 112.716 5.014 23.156 1.00 1.88 C ATOM 1337 OE1 GLU A 94 113.847 5.351 22.854 1.00 2.24 O ATOM 1338 OE2 GLU A 94 112.359 3.855 23.273 1.00 2.25 O ATOM 0 H GLU A 94 110.450 8.213 22.140 1.00 1.43 H new ATOM 0 HA GLU A 94 113.163 9.204 22.972 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.359 7.209 24.234 1.00 1.56 H new ATOM 0 HB3 GLU A 94 111.800 7.923 24.600 1.00 1.56 H new ATOM 0 HG2 GLU A 94 110.994 5.805 24.199 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.083 6.277 22.513 1.00 1.95 H new ATOM 1345 N HIS A 95 114.027 8.420 20.727 1.00 1.59 N ATOM 1346 CA HIS A 95 114.680 7.860 19.514 1.00 1.59 C ATOM 1347 C HIS A 95 115.737 6.836 19.913 1.00 1.71 C ATOM 1348 O HIS A 95 116.764 7.171 20.469 1.00 1.86 O ATOM 1349 CB HIS A 95 115.344 8.993 18.721 1.00 1.65 C ATOM 1350 CG HIS A 95 114.455 10.206 18.732 1.00 1.94 C ATOM 1351 ND1 HIS A 95 114.169 11.124 19.711 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 113.731 10.602 17.618 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 113.282 12.076 19.216 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 113.051 11.715 17.952 1.00 2.88 N flip ATOM 0 H HIS A 95 114.292 9.379 20.954 1.00 1.59 H new ATOM 0 HA HIS A 95 113.925 7.372 18.898 1.00 1.59 H new ATOM 0 HB2 HIS A 95 116.313 9.236 19.157 1.00 1.65 H new ATOM 0 HB3 HIS A 95 115.527 8.673 17.695 1.00 1.65 H new ATOM 0 HD2 HIS A 95 113.715 10.108 16.658 1.00 2.62 H new ATOM 0 HE1 HIS A 95 112.869 12.924 19.742 1.00 2.68 H new ATOM 0 HE2 HIS A 95 112.434 12.221 17.316 1.00 2.88 H new ATOM 1362 N ILE A 96 115.502 5.593 19.619 1.00 1.67 N ATOM 1363 CA ILE A 96 116.513 4.551 19.970 1.00 1.82 C ATOM 1364 C ILE A 96 117.730 4.754 19.039 1.00 1.88 C ATOM 1365 O ILE A 96 117.580 5.315 17.969 1.00 1.77 O ATOM 1366 CB ILE A 96 115.904 3.133 19.782 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.679 3.211 18.842 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.481 2.543 21.143 1.00 2.35 C ATOM 1369 CD1 ILE A 96 113.425 3.698 19.598 1.00 2.27 C ATOM 0 H ILE A 96 114.662 5.249 19.154 1.00 1.67 H new ATOM 0 HA ILE A 96 116.819 4.641 21.012 1.00 1.82 H new ATOM 0 HB ILE A 96 116.659 2.484 19.340 1.00 1.82 H new ATOM 0 HG12 ILE A 96 114.894 3.888 18.015 1.00 1.98 H new ATOM 0 HG13 ILE A 96 114.487 2.230 18.408 1.00 1.98 H new ATOM 0 HG21 ILE A 96 115.057 1.550 20.993 1.00 2.35 H new ATOM 0 HG22 ILE A 96 116.352 2.471 21.795 1.00 2.35 H new ATOM 0 HG23 ILE A 96 114.735 3.190 21.604 1.00 2.35 H new ATOM 0 HD11 ILE A 96 112.580 3.743 18.911 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.197 3.006 20.409 1.00 2.27 H new ATOM 0 HD13 ILE A 96 113.611 4.690 20.009 1.00 2.27 H new ATOM 1381 N PRO A 97 118.901 4.305 19.456 1.00 2.08 N ATOM 1382 CA PRO A 97 120.119 4.466 18.640 1.00 2.18 C ATOM 1383 C PRO A 97 119.833 4.064 17.189 1.00 2.06 C ATOM 1384 O PRO A 97 120.345 4.653 16.258 1.00 2.32 O ATOM 1385 CB PRO A 97 121.164 3.541 19.305 1.00 2.43 C ATOM 1386 CG PRO A 97 120.560 3.062 20.659 1.00 2.48 C ATOM 1387 CD PRO A 97 119.110 3.599 20.736 1.00 2.25 C ATOM 0 HA PRO A 97 120.476 5.495 18.601 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.389 2.690 18.662 1.00 2.43 H new ATOM 0 HB3 PRO A 97 122.101 4.074 19.469 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.570 1.974 20.720 1.00 2.48 H new ATOM 0 HG3 PRO A 97 121.152 3.433 21.496 1.00 2.48 H new ATOM 0 HD2 PRO A 97 118.394 2.787 20.862 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.982 4.271 21.584 1.00 2.25 H new ATOM 1395 N ASP A 98 119.010 3.075 16.993 1.00 2.10 N ATOM 1396 CA ASP A 98 118.680 2.649 15.608 1.00 1.98 C ATOM 1397 C ASP A 98 118.191 3.848 14.815 1.00 1.76 C ATOM 1398 O ASP A 98 118.794 4.244 13.841 1.00 1.73 O ATOM 1399 CB ASP A 98 117.584 1.582 15.646 1.00 1.95 C ATOM 1400 CG ASP A 98 118.109 0.336 16.362 1.00 2.28 C ATOM 1401 OD1 ASP A 98 118.059 0.313 17.581 1.00 2.64 O ATOM 1402 OD2 ASP A 98 118.553 -0.573 15.680 1.00 2.65 O ATOM 0 H ASP A 98 118.551 2.543 17.733 1.00 2.10 H new ATOM 0 HA ASP A 98 119.570 2.236 15.134 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.704 1.967 16.162 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.273 1.328 14.632 1.00 1.95 H new ATOM 1407 N SER A 99 117.095 4.422 15.198 1.00 1.67 N ATOM 1408 CA SER A 99 116.573 5.574 14.424 1.00 1.48 C ATOM 1409 C SER A 99 117.479 6.803 14.624 1.00 1.62 C ATOM 1410 O SER A 99 117.916 7.043 15.732 1.00 1.87 O ATOM 1411 CB SER A 99 115.157 5.889 14.909 1.00 1.48 C ATOM 1412 OG SER A 99 114.242 5.039 14.233 1.00 2.00 O ATOM 0 H SER A 99 116.539 4.147 16.008 1.00 1.67 H new ATOM 0 HA SER A 99 116.557 5.325 13.363 1.00 1.48 H new ATOM 0 HB2 SER A 99 115.085 5.740 15.986 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.915 6.934 14.715 1.00 1.48 H new ATOM 0 HG SER A 99 114.551 4.111 14.294 1.00 2.00 H new ATOM 1418 N PRO A 100 117.715 7.589 13.580 1.00 1.55 N ATOM 1419 CA PRO A 100 117.221 7.371 12.188 1.00 1.33 C ATOM 1420 C PRO A 100 118.207 6.460 11.413 1.00 1.33 C ATOM 1421 O PRO A 100 119.346 6.838 11.220 1.00 1.47 O ATOM 1422 CB PRO A 100 117.252 8.790 11.576 1.00 1.43 C ATOM 1423 CG PRO A 100 118.204 9.645 12.461 1.00 1.74 C ATOM 1424 CD PRO A 100 118.489 8.832 13.744 1.00 1.79 C ATOM 0 HA PRO A 100 116.240 6.897 12.152 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.607 8.758 10.546 1.00 1.43 H new ATOM 0 HB3 PRO A 100 116.252 9.223 11.555 1.00 1.43 H new ATOM 0 HG2 PRO A 100 119.131 9.863 11.930 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.745 10.602 12.706 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.553 8.624 13.853 1.00 1.79 H new ATOM 0 HD3 PRO A 100 118.178 9.377 14.635 1.00 1.79 H new ATOM 1432 N PHE A 101 117.796 5.290 10.936 1.00 1.25 N ATOM 1433 CA PHE A 101 118.754 4.419 10.144 1.00 1.36 C ATOM 1434 C PHE A 101 118.184 4.172 8.749 1.00 1.24 C ATOM 1435 O PHE A 101 117.000 4.315 8.514 1.00 1.16 O ATOM 1436 CB PHE A 101 119.027 3.078 10.844 1.00 1.55 C ATOM 1437 CG PHE A 101 117.784 2.225 10.922 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.870 2.431 11.951 1.00 1.50 C ATOM 1439 CD2 PHE A 101 117.566 1.203 9.991 1.00 1.78 C ATOM 1440 CE1 PHE A 101 115.736 1.629 12.060 1.00 1.83 C ATOM 1441 CE2 PHE A 101 116.425 0.398 10.095 1.00 2.18 C ATOM 1442 CZ PHE A 101 115.510 0.611 11.132 1.00 2.19 C ATOM 0 H PHE A 101 116.858 4.907 11.058 1.00 1.25 H new ATOM 0 HA PHE A 101 119.704 4.948 10.071 1.00 1.36 H new ATOM 0 HB2 PHE A 101 119.805 2.538 10.305 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.405 3.263 11.849 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.041 3.218 12.670 1.00 1.50 H new ATOM 0 HD2 PHE A 101 118.276 1.036 9.194 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.032 1.795 12.862 1.00 1.83 H new ATOM 0 HE2 PHE A 101 116.251 -0.388 9.375 1.00 2.18 H new ATOM 0 HZ PHE A 101 114.631 -0.011 11.214 1.00 2.19 H new ATOM 1452 N VAL A 102 119.030 3.830 7.810 1.00 1.28 N ATOM 1453 CA VAL A 102 118.559 3.605 6.413 1.00 1.21 C ATOM 1454 C VAL A 102 118.211 2.132 6.185 1.00 1.23 C ATOM 1455 O VAL A 102 118.691 1.250 6.869 1.00 1.34 O ATOM 1456 CB VAL A 102 119.662 4.025 5.437 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.950 3.262 5.753 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.221 3.713 4.004 1.00 1.29 C ATOM 0 H VAL A 102 120.031 3.697 7.954 1.00 1.28 H new ATOM 0 HA VAL A 102 117.662 4.201 6.246 1.00 1.21 H new ATOM 0 HB VAL A 102 119.844 5.095 5.538 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.732 3.564 5.056 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.265 3.487 6.772 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.772 2.191 5.656 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.006 4.012 3.309 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.036 2.643 3.905 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.307 4.262 3.777 1.00 1.29 H new ATOM 1468 N VAL A 103 117.380 1.873 5.206 1.00 1.15 N ATOM 1469 CA VAL A 103 116.973 0.474 4.873 1.00 1.19 C ATOM 1470 C VAL A 103 117.207 0.260 3.362 1.00 1.19 C ATOM 1471 O VAL A 103 116.310 0.483 2.575 1.00 1.10 O ATOM 1472 CB VAL A 103 115.484 0.301 5.196 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.981 -1.045 4.655 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.291 0.340 6.714 1.00 1.14 C ATOM 0 H VAL A 103 116.959 2.587 4.612 1.00 1.15 H new ATOM 0 HA VAL A 103 117.551 -0.249 5.449 1.00 1.19 H new ATOM 0 HB VAL A 103 114.919 1.107 4.728 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.923 -1.159 4.889 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.119 -1.077 3.574 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.544 -1.856 5.117 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.234 0.217 6.950 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.861 -0.467 7.174 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.640 1.297 7.101 1.00 1.14 H new ATOM 1484 N PRO A 104 118.411 -0.121 2.979 1.00 1.29 N ATOM 1485 CA PRO A 104 118.741 -0.308 1.550 1.00 1.30 C ATOM 1486 C PRO A 104 117.918 -1.448 0.922 1.00 1.33 C ATOM 1487 O PRO A 104 118.105 -2.610 1.229 1.00 1.44 O ATOM 1488 CB PRO A 104 120.257 -0.632 1.530 1.00 1.42 C ATOM 1489 CG PRO A 104 120.759 -0.610 3.004 1.00 1.49 C ATOM 1490 CD PRO A 104 119.529 -0.388 3.910 1.00 1.41 C ATOM 0 HA PRO A 104 118.504 0.579 0.962 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.435 -1.608 1.079 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.798 0.100 0.930 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.255 -1.548 3.254 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.490 0.186 3.148 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.329 -1.265 4.526 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.685 0.450 4.590 1.00 1.41 H new ATOM 1498 N VAL A 105 117.034 -1.118 0.014 1.00 1.25 N ATOM 1499 CA VAL A 105 116.225 -2.164 -0.678 1.00 1.29 C ATOM 1500 C VAL A 105 116.948 -2.482 -2.002 1.00 1.35 C ATOM 1501 O VAL A 105 117.513 -1.594 -2.623 1.00 1.31 O ATOM 1502 CB VAL A 105 114.813 -1.609 -0.917 1.00 1.19 C ATOM 1503 CG1 VAL A 105 114.012 -2.536 -1.842 1.00 1.26 C ATOM 1504 CG2 VAL A 105 114.088 -1.490 0.428 1.00 1.15 C ATOM 0 H VAL A 105 116.838 -0.161 -0.279 1.00 1.25 H new ATOM 0 HA VAL A 105 116.127 -3.077 -0.091 1.00 1.29 H new ATOM 0 HB VAL A 105 114.896 -0.631 -1.391 1.00 1.19 H new ATOM 0 HG11 VAL A 105 113.015 -2.123 -1.997 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.522 -2.622 -2.801 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.929 -3.522 -1.385 1.00 1.26 H new ATOM 0 HG21 VAL A 105 113.084 -1.096 0.267 1.00 1.15 H new ATOM 0 HG22 VAL A 105 114.022 -2.473 0.894 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.642 -0.816 1.081 1.00 1.15 H new ATOM 1514 N ALA A 106 116.990 -3.740 -2.409 1.00 1.46 N ATOM 1515 CA ALA A 106 117.741 -4.119 -3.663 1.00 1.53 C ATOM 1516 C ALA A 106 116.888 -4.997 -4.608 1.00 1.59 C ATOM 1517 O ALA A 106 116.291 -5.970 -4.211 1.00 1.66 O ATOM 1518 CB ALA A 106 118.998 -4.895 -3.238 1.00 1.67 C ATOM 0 H ALA A 106 116.538 -4.518 -1.928 1.00 1.46 H new ATOM 0 HA ALA A 106 117.996 -3.212 -4.211 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.564 -5.184 -4.124 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.618 -4.263 -2.601 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.705 -5.789 -2.687 1.00 1.67 H new ATOM 1524 N SER A 107 116.851 -4.654 -5.867 1.00 1.59 N ATOM 1525 CA SER A 107 116.070 -5.444 -6.866 1.00 1.67 C ATOM 1526 C SER A 107 117.045 -6.319 -7.639 1.00 1.81 C ATOM 1527 O SER A 107 117.639 -5.897 -8.610 1.00 1.83 O ATOM 1528 CB SER A 107 115.367 -4.501 -7.843 1.00 1.60 C ATOM 1529 OG SER A 107 114.579 -5.265 -8.747 1.00 2.04 O ATOM 0 H SER A 107 117.338 -3.845 -6.254 1.00 1.59 H new ATOM 0 HA SER A 107 115.321 -6.051 -6.357 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.737 -3.798 -7.298 1.00 1.60 H new ATOM 0 HB3 SER A 107 116.102 -3.912 -8.391 1.00 1.60 H new ATOM 0 HG SER A 107 114.125 -4.664 -9.374 1.00 2.04 H new ATOM 1535 N LEU A 108 117.233 -7.520 -7.192 1.00 1.98 N ATOM 1536 CA LEU A 108 118.195 -8.435 -7.869 1.00 2.16 C ATOM 1537 C LEU A 108 119.580 -7.788 -7.825 1.00 2.13 C ATOM 1538 O LEU A 108 120.542 -8.304 -8.359 1.00 2.33 O ATOM 1539 CB LEU A 108 117.778 -8.676 -9.329 1.00 2.25 C ATOM 1540 CG LEU A 108 116.289 -9.045 -9.403 1.00 2.76 C ATOM 1541 CD1 LEU A 108 115.826 -9.002 -10.861 1.00 3.20 C ATOM 1542 CD2 LEU A 108 116.074 -10.457 -8.844 1.00 3.20 C ATOM 0 H LEU A 108 116.760 -7.916 -6.380 1.00 1.98 H new ATOM 0 HA LEU A 108 118.207 -9.398 -7.359 1.00 2.16 H new ATOM 0 HB2 LEU A 108 117.968 -7.781 -9.921 1.00 2.25 H new ATOM 0 HB3 LEU A 108 118.380 -9.476 -9.759 1.00 2.25 H new ATOM 0 HG LEU A 108 115.713 -8.332 -8.813 1.00 2.76 H new ATOM 0 HD11 LEU A 108 114.769 -9.264 -10.915 1.00 3.20 H new ATOM 0 HD12 LEU A 108 115.972 -7.998 -11.260 1.00 3.20 H new ATOM 0 HD13 LEU A 108 116.406 -9.714 -11.448 1.00 3.20 H new ATOM 0 HD21 LEU A 108 115.016 -10.713 -8.899 1.00 3.20 H new ATOM 0 HD22 LEU A 108 116.651 -11.172 -9.430 1.00 3.20 H new ATOM 0 HD23 LEU A 108 116.402 -10.491 -7.805 1.00 3.20 H new ATOM 1554 N SER A 109 119.681 -6.657 -7.173 1.00 1.93 N ATOM 1555 CA SER A 109 120.989 -5.952 -7.059 1.00 1.92 C ATOM 1556 C SER A 109 121.656 -6.351 -5.748 1.00 2.00 C ATOM 1557 O SER A 109 122.865 -6.345 -5.631 1.00 2.09 O ATOM 1558 CB SER A 109 120.756 -4.443 -7.076 1.00 1.77 C ATOM 1559 OG SER A 109 121.996 -3.790 -7.309 1.00 2.06 O ATOM 0 H SER A 109 118.902 -6.189 -6.710 1.00 1.93 H new ATOM 0 HA SER A 109 121.631 -6.226 -7.896 1.00 1.92 H new ATOM 0 HB2 SER A 109 120.039 -4.181 -7.854 1.00 1.77 H new ATOM 0 HB3 SER A 109 120.330 -4.116 -6.127 1.00 1.77 H new ATOM 0 HG SER A 109 121.857 -2.820 -7.323 1.00 2.06 H new ATOM 1565 N ASP A 110 120.878 -6.674 -4.749 1.00 1.99 N ATOM 1566 CA ASP A 110 121.475 -7.047 -3.437 1.00 2.10 C ATOM 1567 C ASP A 110 122.339 -5.879 -2.970 1.00 2.06 C ATOM 1568 O ASP A 110 123.034 -5.953 -1.976 1.00 2.19 O ATOM 1569 CB ASP A 110 122.337 -8.305 -3.593 1.00 2.32 C ATOM 1570 CG ASP A 110 122.616 -8.910 -2.215 1.00 2.37 C ATOM 1571 OD1 ASP A 110 121.682 -9.411 -1.610 1.00 2.85 O ATOM 1572 OD2 ASP A 110 123.758 -8.862 -1.789 1.00 2.61 O ATOM 0 H ASP A 110 119.859 -6.695 -4.786 1.00 1.99 H new ATOM 0 HA ASP A 110 120.692 -7.257 -2.708 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.826 -9.032 -4.224 1.00 2.32 H new ATOM 0 HB3 ASP A 110 123.275 -8.056 -4.089 1.00 2.32 H new ATOM 1836 N ARG B 8 113.123 12.030 -2.426 1.00 0.48 N ATOM 1837 CA ARG B 8 112.447 10.731 -2.724 1.00 0.50 C ATOM 1838 C ARG B 8 110.988 10.843 -2.280 1.00 0.48 C ATOM 1839 O ARG B 8 110.631 11.722 -1.522 1.00 0.96 O ATOM 1840 CB ARG B 8 113.157 9.587 -1.954 1.00 0.67 C ATOM 1841 CG ARG B 8 114.565 10.038 -1.524 1.00 0.80 C ATOM 1842 CD ARG B 8 115.437 8.817 -1.146 1.00 1.18 C ATOM 1843 NE ARG B 8 116.110 9.046 0.176 1.00 1.76 N ATOM 1844 CZ ARG B 8 116.728 10.169 0.444 1.00 2.26 C ATOM 1845 NH1 ARG B 8 116.826 11.106 -0.461 1.00 3.04 N ATOM 1846 NH2 ARG B 8 117.269 10.346 1.620 1.00 2.64 N ATOM 0 HA ARG B 8 112.495 10.509 -3.790 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.572 9.309 -1.078 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.227 8.701 -2.585 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.038 10.593 -2.334 1.00 0.80 H new ATOM 0 HG3 ARG B 8 114.492 10.716 -0.674 1.00 0.80 H new ATOM 0 HD2 ARG B 8 114.818 7.921 -1.096 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.187 8.644 -1.918 1.00 1.18 H new ATOM 0 HE ARG B 8 116.085 8.310 0.882 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.419 10.966 -1.386 1.00 3.04 H new ATOM 0 HH12 ARG B 8 117.309 11.977 -0.243 1.00 3.04 H new ATOM 0 HH21 ARG B 8 117.209 9.611 2.325 1.00 2.64 H new ATOM 0 HH22 ARG B 8 117.751 11.219 1.833 1.00 2.64 H new ATOM 1860 N VAL B 9 110.141 9.962 -2.731 1.00 0.42 N ATOM 1861 CA VAL B 9 108.716 10.036 -2.310 1.00 0.36 C ATOM 1862 C VAL B 9 108.664 10.112 -0.780 1.00 0.28 C ATOM 1863 O VAL B 9 109.581 9.696 -0.101 1.00 0.38 O ATOM 1864 CB VAL B 9 107.981 8.794 -2.817 1.00 0.45 C ATOM 1865 CG1 VAL B 9 106.627 8.647 -2.114 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.753 8.922 -4.324 1.00 0.66 C ATOM 0 H VAL B 9 110.371 9.199 -3.368 1.00 0.42 H new ATOM 0 HA VAL B 9 108.234 10.920 -2.728 1.00 0.36 H new ATOM 0 HB VAL B 9 108.588 7.914 -2.602 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.118 7.758 -2.487 1.00 0.67 H new ATOM 0 HG12 VAL B 9 106.783 8.552 -1.040 1.00 0.67 H new ATOM 0 HG13 VAL B 9 106.015 9.527 -2.315 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.229 8.039 -4.689 1.00 0.66 H new ATOM 0 HG22 VAL B 9 107.153 9.809 -4.527 1.00 0.66 H new ATOM 0 HG23 VAL B 9 108.714 9.010 -4.831 1.00 0.66 H new ATOM 1876 N ALA B 10 107.608 10.660 -0.239 1.00 0.27 N ATOM 1877 CA ALA B 10 107.492 10.798 1.251 1.00 0.35 C ATOM 1878 C ALA B 10 106.460 9.812 1.800 1.00 0.26 C ATOM 1879 O ALA B 10 105.595 9.338 1.091 1.00 0.40 O ATOM 1880 CB ALA B 10 107.041 12.221 1.584 1.00 0.58 C ATOM 0 H ALA B 10 106.813 11.022 -0.766 1.00 0.27 H new ATOM 0 HA ALA B 10 108.461 10.588 1.703 1.00 0.35 H new ATOM 0 HB1 ALA B 10 106.954 12.331 2.665 1.00 0.58 H new ATOM 0 HB2 ALA B 10 107.774 12.933 1.204 1.00 0.58 H new ATOM 0 HB3 ALA B 10 106.074 12.414 1.120 1.00 0.58 H new ATOM 1886 N SER B 11 106.545 9.509 3.068 1.00 0.23 N ATOM 1887 CA SER B 11 105.572 8.565 3.684 1.00 0.22 C ATOM 1888 C SER B 11 105.560 8.780 5.200 1.00 0.23 C ATOM 1889 O SER B 11 106.531 8.512 5.879 1.00 0.30 O ATOM 1890 CB SER B 11 105.989 7.126 3.370 1.00 0.36 C ATOM 1891 OG SER B 11 104.988 6.233 3.842 1.00 1.19 O ATOM 0 H SER B 11 107.251 9.878 3.705 1.00 0.23 H new ATOM 0 HA SER B 11 104.575 8.745 3.281 1.00 0.22 H new ATOM 0 HB2 SER B 11 106.127 7.001 2.296 1.00 0.36 H new ATOM 0 HB3 SER B 11 106.945 6.901 3.842 1.00 0.36 H new ATOM 0 HG SER B 11 105.251 5.311 3.641 1.00 1.19 H new ATOM 1897 N SER B 12 104.464 9.270 5.735 1.00 0.27 N ATOM 1898 CA SER B 12 104.371 9.516 7.213 1.00 0.35 C ATOM 1899 C SER B 12 103.276 8.627 7.809 1.00 0.31 C ATOM 1900 O SER B 12 102.140 8.649 7.377 1.00 0.41 O ATOM 1901 CB SER B 12 104.020 10.985 7.465 1.00 0.52 C ATOM 1902 OG SER B 12 102.915 11.353 6.649 1.00 1.38 O ATOM 0 H SER B 12 103.625 9.512 5.208 1.00 0.27 H new ATOM 0 HA SER B 12 105.328 9.283 7.680 1.00 0.35 H new ATOM 0 HB2 SER B 12 103.776 11.137 8.516 1.00 0.52 H new ATOM 0 HB3 SER B 12 104.878 11.619 7.242 1.00 0.52 H new ATOM 0 HG SER B 12 102.245 10.638 6.664 1.00 1.38 H new ATOM 1908 N VAL B 13 103.610 7.844 8.798 1.00 0.27 N ATOM 1909 CA VAL B 13 102.592 6.953 9.422 1.00 0.27 C ATOM 1910 C VAL B 13 103.105 6.444 10.764 1.00 0.32 C ATOM 1911 O VAL B 13 104.290 6.504 11.058 1.00 0.41 O ATOM 1912 CB VAL B 13 102.323 5.754 8.509 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.639 5.022 8.203 1.00 0.42 C ATOM 1914 CG2 VAL B 13 101.345 4.791 9.198 1.00 0.41 C ATOM 0 H VAL B 13 104.545 7.783 9.201 1.00 0.27 H new ATOM 0 HA VAL B 13 101.672 7.519 9.569 1.00 0.27 H new ATOM 0 HB VAL B 13 101.886 6.108 7.575 1.00 0.32 H new ATOM 0 HG11 VAL B 13 103.439 4.170 7.553 1.00 0.42 H new ATOM 0 HG12 VAL B 13 104.328 5.705 7.705 1.00 0.42 H new ATOM 0 HG13 VAL B 13 104.085 4.671 9.134 1.00 0.42 H new ATOM 0 HG21 VAL B 13 101.155 3.938 8.547 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.778 4.442 10.136 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.407 5.308 9.401 1.00 0.41 H new ATOM 1924 N PHE B 14 102.216 5.923 11.571 1.00 0.36 N ATOM 1925 CA PHE B 14 102.637 5.384 12.893 1.00 0.45 C ATOM 1926 C PHE B 14 101.449 4.809 13.666 1.00 0.34 C ATOM 1927 O PHE B 14 100.340 4.738 13.175 1.00 0.35 O ATOM 1928 CB PHE B 14 103.273 6.479 13.738 1.00 0.59 C ATOM 1929 CG PHE B 14 102.245 7.490 14.192 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.612 8.312 13.255 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.941 7.620 15.555 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.675 9.259 13.676 1.00 1.03 C ATOM 1933 CE2 PHE B 14 101.006 8.567 15.976 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.370 9.388 15.037 1.00 1.54 C ATOM 0 H PHE B 14 101.219 5.849 11.369 1.00 0.36 H new ATOM 0 HA PHE B 14 103.359 4.591 12.699 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.758 6.035 14.607 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.050 6.981 13.161 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.847 8.215 12.205 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.431 6.987 16.280 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.185 9.892 12.951 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.773 8.666 17.026 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.645 10.120 15.362 1.00 1.54 H new ATOM 1944 N ILE B 15 101.691 4.393 14.890 1.00 0.34 N ATOM 1945 CA ILE B 15 100.611 3.816 15.730 1.00 0.33 C ATOM 1946 C ILE B 15 100.826 4.237 17.193 1.00 0.31 C ATOM 1947 O ILE B 15 101.868 4.754 17.556 1.00 0.58 O ATOM 1948 CB ILE B 15 100.658 2.286 15.634 1.00 0.51 C ATOM 1949 CG1 ILE B 15 102.121 1.778 15.784 1.00 0.62 C ATOM 1950 CG2 ILE B 15 100.050 1.832 14.298 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.826 1.651 14.422 1.00 1.25 C ATOM 0 H ILE B 15 102.606 4.433 15.340 1.00 0.34 H new ATOM 0 HA ILE B 15 99.643 4.177 15.382 1.00 0.33 H new ATOM 0 HB ILE B 15 100.071 1.857 16.446 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.680 2.464 16.420 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.120 0.809 16.284 1.00 0.62 H new ATOM 0 HG21 ILE B 15 100.085 0.744 14.233 1.00 0.83 H new ATOM 0 HG22 ILE B 15 99.014 2.166 14.237 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.619 2.263 13.474 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.845 1.294 14.572 1.00 1.25 H new ATOM 0 HD12 ILE B 15 102.282 0.944 13.795 1.00 1.25 H new ATOM 0 HD13 ILE B 15 102.851 2.625 13.933 1.00 1.25 H new ATOM 1963 N THR B 16 99.848 4.007 18.036 1.00 0.35 N ATOM 1964 CA THR B 16 99.975 4.375 19.484 1.00 0.47 C ATOM 1965 C THR B 16 99.492 3.198 20.334 1.00 0.31 C ATOM 1966 O THR B 16 98.724 2.373 19.880 1.00 0.35 O ATOM 1967 CB THR B 16 99.115 5.608 19.778 1.00 0.75 C ATOM 1968 OG1 THR B 16 97.763 5.334 19.440 1.00 1.61 O ATOM 1969 CG2 THR B 16 99.618 6.795 18.955 1.00 1.40 C ATOM 0 H THR B 16 98.959 3.576 17.781 1.00 0.35 H new ATOM 0 HA THR B 16 101.015 4.602 19.720 1.00 0.47 H new ATOM 0 HB THR B 16 99.182 5.851 20.838 1.00 0.75 H new ATOM 0 HG1 THR B 16 97.212 6.122 19.630 1.00 1.61 H new ATOM 0 HG21 THR B 16 99.004 7.671 19.166 1.00 1.40 H new ATOM 0 HG22 THR B 16 100.655 7.007 19.218 1.00 1.40 H new ATOM 0 HG23 THR B 16 99.554 6.555 17.894 1.00 1.40 H new ATOM 1977 N LEU B 17 99.938 3.099 21.559 1.00 0.39 N ATOM 1978 CA LEU B 17 99.499 1.955 22.409 1.00 0.44 C ATOM 1979 C LEU B 17 99.692 2.279 23.890 1.00 0.31 C ATOM 1980 O LEU B 17 100.462 3.145 24.257 1.00 0.54 O ATOM 1981 CB LEU B 17 100.316 0.704 22.050 1.00 0.72 C ATOM 1982 CG LEU B 17 101.838 1.012 22.108 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.611 -0.245 22.522 1.00 1.06 C ATOM 1984 CD2 LEU B 17 102.355 1.468 20.733 1.00 1.32 C ATOM 0 H LEU B 17 100.581 3.754 22.004 1.00 0.39 H new ATOM 0 HA LEU B 17 98.440 1.772 22.225 1.00 0.44 H new ATOM 0 HB2 LEU B 17 100.076 -0.105 22.741 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.046 0.361 21.051 1.00 0.72 H new ATOM 0 HG LEU B 17 101.991 1.808 22.837 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.677 -0.021 22.560 1.00 1.06 H new ATOM 0 HD12 LEU B 17 102.274 -0.572 23.505 1.00 1.06 H new ATOM 0 HD13 LEU B 17 102.433 -1.038 21.795 1.00 1.06 H new ATOM 0 HD21 LEU B 17 103.423 1.678 20.797 1.00 1.32 H new ATOM 0 HD22 LEU B 17 102.184 0.680 20.000 1.00 1.32 H new ATOM 0 HD23 LEU B 17 101.825 2.370 20.426 1.00 1.32 H new