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 59 SER OG : rot -74:sc= 0.683 USER MOD Set 1.2: A 85 TYR OH : rot -179:sc= -1.76! USER MOD Single : A 19 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= -4.36! (180deg=-6.85!) USER MOD Single : A 26 THR OG1 : rot -92:sc= 0.0228 USER MOD Single : A 40 SER OG : rot -71:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.255! USER MOD Single : A 52 SER OG : rot 96:sc= -2.97 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0.753 (180deg=0.388!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -53:sc= 0.66 USER MOD Single : A 80 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.15) USER MOD Single : A 88 SER OG : rot 15:sc= -1.08! USER MOD Single : A 90 LYS NZ :NH3+ -140:sc= -1.08 (180deg=-3.01!) USER MOD Single : A 92 ASN : amide:sc=-0.000522 K(o=-0.00052,f=-1.3) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.636 F(o=-3.7!,f=-0.64) USER MOD Single : A 99 SER OG : rot 80:sc= 0.542 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= -0.994 USER MOD Single : B 12 SER OG : rot 180:sc= -0.0346 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 113.742 6.428 28.574 1.00 2.21 N ATOM 228 CA GLY A 16 112.322 5.978 28.577 1.00 2.06 C ATOM 229 C GLY A 16 112.022 5.044 27.397 1.00 1.98 C ATOM 230 O GLY A 16 112.154 5.409 26.247 1.00 2.44 O ATOM 0 HA2 GLY A 16 112.105 5.464 29.513 1.00 2.06 H new ATOM 0 HA3 GLY A 16 111.665 6.846 28.531 1.00 2.06 H new ATOM 234 N GLY A 17 111.584 3.846 27.687 1.00 1.81 N ATOM 235 CA GLY A 17 111.228 2.877 26.608 1.00 1.74 C ATOM 236 C GLY A 17 112.477 2.347 25.911 1.00 1.78 C ATOM 237 O GLY A 17 112.663 1.155 25.775 1.00 1.80 O ATOM 0 H GLY A 17 111.457 3.494 28.636 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.665 2.046 27.033 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.579 3.362 25.879 1.00 1.74 H new ATOM 241 N ALA A 18 113.327 3.213 25.457 1.00 1.84 N ATOM 242 CA ALA A 18 114.560 2.747 24.752 1.00 1.96 C ATOM 243 C ALA A 18 115.268 1.666 25.582 1.00 2.07 C ATOM 244 O ALA A 18 116.224 1.063 25.138 1.00 2.21 O ATOM 245 CB ALA A 18 115.499 3.949 24.516 1.00 2.09 C ATOM 0 H ALA A 18 113.229 4.225 25.539 1.00 1.84 H new ATOM 0 HA ALA A 18 114.286 2.314 23.790 1.00 1.96 H new ATOM 0 HB1 ALA A 18 116.399 3.612 24.002 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.990 4.694 23.905 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.772 4.391 25.474 1.00 2.09 H new ATOM 251 N HIS A 19 114.812 1.418 26.781 1.00 2.06 N ATOM 252 CA HIS A 19 115.462 0.383 27.633 1.00 2.21 C ATOM 253 C HIS A 19 114.733 -0.961 27.488 1.00 2.15 C ATOM 254 O HIS A 19 115.225 -1.982 27.928 1.00 2.33 O ATOM 255 CB HIS A 19 115.411 0.843 29.094 1.00 2.33 C ATOM 256 CG HIS A 19 115.885 -0.264 29.999 1.00 2.51 C ATOM 257 ND1 HIS A 19 115.032 -1.249 30.471 1.00 2.79 N ATOM 258 CD2 HIS A 19 117.120 -0.554 30.526 1.00 2.86 C ATOM 259 CE1 HIS A 19 115.758 -2.077 31.246 1.00 2.87 C ATOM 260 NE2 HIS A 19 117.037 -1.699 31.312 1.00 2.87 N ATOM 0 H HIS A 19 114.015 1.890 27.207 1.00 2.06 H new ATOM 0 HA HIS A 19 116.497 0.252 27.318 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.036 1.726 29.228 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.393 1.130 29.358 1.00 2.33 H new ATOM 0 HD2 HIS A 19 118.019 0.020 30.356 1.00 2.86 H new ATOM 0 HE1 HIS A 19 115.355 -2.942 31.753 1.00 2.87 H new ATOM 0 HE2 HIS A 19 117.791 -2.152 31.828 1.00 2.87 H new ATOM 268 N LYS A 20 113.564 -0.977 26.883 1.00 2.02 N ATOM 269 CA LYS A 20 112.810 -2.268 26.722 1.00 2.01 C ATOM 270 C LYS A 20 112.309 -2.419 25.284 1.00 1.90 C ATOM 271 O LYS A 20 111.511 -3.288 24.991 1.00 1.96 O ATOM 272 CB LYS A 20 111.612 -2.293 27.686 1.00 1.99 C ATOM 273 CG LYS A 20 110.715 -1.041 27.490 1.00 1.81 C ATOM 274 CD LYS A 20 109.493 -1.380 26.621 1.00 1.74 C ATOM 275 CE LYS A 20 108.685 -0.108 26.355 1.00 1.58 C ATOM 276 NZ LYS A 20 109.438 0.776 25.423 1.00 1.94 N ATOM 0 H LYS A 20 113.101 -0.155 26.495 1.00 2.02 H new ATOM 0 HA LYS A 20 113.483 -3.095 26.951 1.00 2.01 H new ATOM 0 HB2 LYS A 20 111.024 -3.196 27.519 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.969 -2.332 28.715 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.386 -0.668 28.460 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.292 -0.244 27.021 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.816 -1.822 25.678 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.870 -2.120 27.124 1.00 1.74 H new ATOM 0 HE2 LYS A 20 107.716 -0.364 25.927 1.00 1.58 H new ATOM 0 HE3 LYS A 20 108.492 0.415 27.292 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 109.139 1.762 25.562 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 110.457 0.693 25.613 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 109.244 0.491 24.442 1.00 1.94 H new ATOM 290 N VAL A 21 112.770 -1.596 24.379 1.00 1.80 N ATOM 291 CA VAL A 21 112.315 -1.716 22.958 1.00 1.71 C ATOM 292 C VAL A 21 113.310 -2.579 22.181 1.00 1.76 C ATOM 293 O VAL A 21 114.445 -2.201 21.969 1.00 1.81 O ATOM 294 CB VAL A 21 112.228 -0.323 22.319 1.00 1.64 C ATOM 295 CG1 VAL A 21 111.994 -0.459 20.811 1.00 2.07 C ATOM 296 CG2 VAL A 21 111.061 0.453 22.934 1.00 1.75 C ATOM 0 H VAL A 21 113.439 -0.848 24.559 1.00 1.80 H new ATOM 0 HA VAL A 21 111.329 -2.181 22.931 1.00 1.71 H new ATOM 0 HB VAL A 21 113.162 0.209 22.500 1.00 1.64 H new ATOM 0 HG11 VAL A 21 111.933 0.532 20.361 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.821 -1.010 20.363 1.00 2.07 H new ATOM 0 HG13 VAL A 21 111.062 -0.996 20.634 1.00 2.07 H new ATOM 0 HG21 VAL A 21 111.001 1.442 22.479 1.00 1.75 H new ATOM 0 HG22 VAL A 21 110.131 -0.086 22.754 1.00 1.75 H new ATOM 0 HG23 VAL A 21 111.219 0.557 24.008 1.00 1.75 H new ATOM 306 N ARG A 22 112.880 -3.739 21.754 1.00 1.78 N ATOM 307 CA ARG A 22 113.772 -4.658 20.981 1.00 1.85 C ATOM 308 C ARG A 22 113.246 -4.774 19.549 1.00 1.74 C ATOM 309 O ARG A 22 112.123 -5.180 19.323 1.00 1.66 O ATOM 310 CB ARG A 22 113.755 -6.039 21.647 1.00 1.96 C ATOM 311 CG ARG A 22 114.512 -7.065 20.784 1.00 2.03 C ATOM 312 CD ARG A 22 115.926 -6.555 20.481 1.00 2.18 C ATOM 313 NE ARG A 22 116.805 -7.705 20.126 1.00 2.75 N ATOM 314 CZ ARG A 22 117.951 -7.491 19.540 1.00 3.10 C ATOM 315 NH1 ARG A 22 118.326 -6.271 19.270 1.00 3.50 N ATOM 316 NH2 ARG A 22 118.722 -8.496 19.225 1.00 3.33 N ATOM 0 H ARG A 22 111.936 -4.094 21.910 1.00 1.78 H new ATOM 0 HA ARG A 22 114.791 -4.270 20.965 1.00 1.85 H new ATOM 0 HB2 ARG A 22 114.212 -5.978 22.635 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.725 -6.366 21.792 1.00 1.96 H new ATOM 0 HG2 ARG A 22 114.565 -8.021 21.304 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.972 -7.238 19.853 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.897 -5.839 19.660 1.00 2.18 H new ATOM 0 HD3 ARG A 22 116.328 -6.030 21.348 1.00 2.18 H new ATOM 0 HE ARG A 22 116.511 -8.658 20.341 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.724 -5.486 19.517 1.00 3.50 H new ATOM 0 HH12 ARG A 22 119.222 -6.102 18.812 1.00 3.50 H new ATOM 0 HH21 ARG A 22 118.429 -9.450 19.437 1.00 3.33 H new ATOM 0 HH22 ARG A 22 119.618 -8.328 18.767 1.00 3.33 H new ATOM 330 N ALA A 23 114.054 -4.424 18.580 1.00 1.77 N ATOM 331 CA ALA A 23 113.624 -4.511 17.148 1.00 1.68 C ATOM 332 C ALA A 23 114.675 -5.294 16.363 1.00 1.77 C ATOM 333 O ALA A 23 115.800 -4.861 16.211 1.00 1.83 O ATOM 334 CB ALA A 23 113.502 -3.100 16.568 1.00 1.59 C ATOM 0 H ALA A 23 115.003 -4.078 18.720 1.00 1.77 H new ATOM 0 HA ALA A 23 112.660 -5.015 17.080 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.189 -3.161 15.526 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.763 -2.536 17.136 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.467 -2.597 16.628 1.00 1.59 H new ATOM 340 N GLY A 24 114.321 -6.449 15.868 1.00 1.80 N ATOM 341 CA GLY A 24 115.303 -7.268 15.098 1.00 1.90 C ATOM 342 C GLY A 24 114.560 -8.126 14.073 1.00 1.86 C ATOM 343 O GLY A 24 113.599 -8.799 14.393 1.00 1.86 O ATOM 0 H GLY A 24 113.393 -6.862 15.963 1.00 1.80 H new ATOM 0 HA2 GLY A 24 116.018 -6.618 14.594 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.873 -7.904 15.776 1.00 1.90 H new ATOM 347 N GLY A 25 114.994 -8.110 12.841 1.00 1.85 N ATOM 348 CA GLY A 25 114.306 -8.928 11.803 1.00 1.84 C ATOM 349 C GLY A 25 115.025 -8.772 10.462 1.00 1.84 C ATOM 350 O GLY A 25 115.902 -7.945 10.309 1.00 1.84 O ATOM 0 H GLY A 25 115.792 -7.568 12.510 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.295 -9.976 12.101 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.267 -8.613 11.708 1.00 1.84 H new ATOM 354 N THR A 26 114.658 -9.560 9.489 1.00 1.86 N ATOM 355 CA THR A 26 115.316 -9.459 8.155 1.00 1.87 C ATOM 356 C THR A 26 114.741 -8.263 7.395 1.00 1.75 C ATOM 357 O THR A 26 115.393 -7.675 6.551 1.00 1.76 O ATOM 358 CB THR A 26 115.054 -10.739 7.359 1.00 1.96 C ATOM 359 OG1 THR A 26 113.682 -11.089 7.469 1.00 2.31 O ATOM 360 CG2 THR A 26 115.919 -11.873 7.911 1.00 2.29 C ATOM 0 H THR A 26 113.930 -10.271 9.560 1.00 1.86 H new ATOM 0 HA THR A 26 116.390 -9.326 8.288 1.00 1.87 H new ATOM 0 HB THR A 26 115.305 -10.574 6.311 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.560 -11.702 8.224 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.731 -12.784 7.343 1.00 2.29 H new ATOM 0 HG22 THR A 26 116.971 -11.603 7.825 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.672 -12.042 8.959 1.00 2.29 H new ATOM 368 N GLY A 27 113.524 -7.899 7.690 1.00 1.64 N ATOM 369 CA GLY A 27 112.902 -6.743 6.990 1.00 1.54 C ATOM 370 C GLY A 27 113.575 -5.455 7.457 1.00 1.50 C ATOM 371 O GLY A 27 113.408 -4.404 6.871 1.00 1.46 O ATOM 0 H GLY A 27 112.933 -8.353 8.387 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.011 -6.854 5.911 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.833 -6.707 7.201 1.00 1.54 H new ATOM 375 N LEU A 28 114.343 -5.533 8.510 1.00 1.57 N ATOM 376 CA LEU A 28 115.041 -4.319 9.023 1.00 1.59 C ATOM 377 C LEU A 28 116.383 -4.178 8.301 1.00 1.69 C ATOM 378 O LEU A 28 117.012 -3.139 8.333 1.00 1.83 O ATOM 379 CB LEU A 28 115.282 -4.475 10.533 1.00 1.65 C ATOM 380 CG LEU A 28 114.006 -4.106 11.320 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.017 -4.809 12.681 1.00 1.66 C ATOM 382 CD2 LEU A 28 113.944 -2.588 11.548 1.00 1.61 C ATOM 0 H LEU A 28 114.518 -6.388 9.039 1.00 1.57 H new ATOM 0 HA LEU A 28 114.432 -3.433 8.844 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.572 -5.501 10.758 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.107 -3.835 10.844 1.00 1.65 H new ATOM 0 HG LEU A 28 113.138 -4.424 10.743 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.115 -4.546 13.234 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.050 -5.888 12.533 1.00 1.66 H new ATOM 0 HD13 LEU A 28 114.894 -4.493 13.246 1.00 1.66 H new ATOM 0 HD21 LEU A 28 113.040 -2.340 12.104 1.00 1.61 H new ATOM 0 HD22 LEU A 28 114.818 -2.269 12.116 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.930 -2.076 10.586 1.00 1.61 H new ATOM 394 N GLU A 29 116.825 -5.221 7.653 1.00 1.73 N ATOM 395 CA GLU A 29 118.127 -5.159 6.930 1.00 1.84 C ATOM 396 C GLU A 29 117.905 -4.633 5.511 1.00 1.75 C ATOM 397 O GLU A 29 118.421 -3.598 5.139 1.00 1.78 O ATOM 398 CB GLU A 29 118.736 -6.561 6.867 1.00 2.00 C ATOM 399 CG GLU A 29 118.626 -7.223 8.243 1.00 2.06 C ATOM 400 CD GLU A 29 119.298 -8.597 8.205 1.00 1.98 C ATOM 401 OE1 GLU A 29 119.834 -8.944 7.165 1.00 2.21 O ATOM 402 OE2 GLU A 29 119.264 -9.279 9.216 1.00 2.34 O ATOM 0 H GLU A 29 116.339 -6.116 7.593 1.00 1.73 H new ATOM 0 HA GLU A 29 118.805 -4.488 7.458 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.218 -7.162 6.119 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.781 -6.503 6.561 1.00 2.00 H new ATOM 0 HG2 GLU A 29 119.099 -6.596 8.999 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.578 -7.327 8.525 1.00 2.06 H new ATOM 409 N ARG A 30 117.145 -5.337 4.709 1.00 1.69 N ATOM 410 CA ARG A 30 116.902 -4.869 3.307 1.00 1.64 C ATOM 411 C ARG A 30 115.504 -5.294 2.846 1.00 1.59 C ATOM 412 O ARG A 30 114.773 -5.953 3.558 1.00 1.61 O ATOM 413 CB ARG A 30 117.940 -5.494 2.369 1.00 1.75 C ATOM 414 CG ARG A 30 119.347 -5.327 2.952 1.00 2.21 C ATOM 415 CD ARG A 30 120.383 -5.801 1.929 1.00 2.47 C ATOM 416 NE ARG A 30 121.698 -5.992 2.604 1.00 2.96 N ATOM 417 CZ ARG A 30 122.644 -6.669 2.012 1.00 3.36 C ATOM 418 NH1 ARG A 30 122.440 -7.179 0.828 1.00 3.77 N ATOM 419 NH2 ARG A 30 123.795 -6.837 2.605 1.00 3.76 N ATOM 0 H ARG A 30 116.684 -6.211 4.962 1.00 1.69 H new ATOM 0 HA ARG A 30 116.981 -3.782 3.282 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.721 -6.552 2.225 1.00 1.75 H new ATOM 0 HB3 ARG A 30 117.886 -5.021 1.388 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.525 -4.282 3.208 1.00 2.21 H new ATOM 0 HG3 ARG A 30 119.441 -5.901 3.874 1.00 2.21 H new ATOM 0 HD2 ARG A 30 120.058 -6.736 1.473 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.477 -5.070 1.126 1.00 2.47 H new ATOM 0 HE ARG A 30 121.859 -5.593 3.529 1.00 2.96 H new ATOM 0 HH11 ARG A 30 121.541 -7.049 0.365 1.00 3.77 H new ATOM 0 HH12 ARG A 30 123.180 -7.708 0.366 1.00 3.77 H new ATOM 0 HH21 ARG A 30 123.955 -6.439 3.531 1.00 3.76 H new ATOM 0 HH22 ARG A 30 124.534 -7.366 2.143 1.00 3.76 H new ATOM 433 N GLY A 31 115.141 -4.925 1.645 1.00 1.54 N ATOM 434 CA GLY A 31 113.805 -5.302 1.098 1.00 1.52 C ATOM 435 C GLY A 31 113.939 -5.423 -0.418 1.00 1.55 C ATOM 436 O GLY A 31 114.988 -5.145 -0.965 1.00 1.57 O ATOM 0 H GLY A 31 115.721 -4.372 1.013 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.468 -6.245 1.528 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.060 -4.550 1.357 1.00 1.52 H new ATOM 440 N VAL A 32 112.903 -5.842 -1.110 1.00 1.56 N ATOM 441 CA VAL A 32 113.006 -5.981 -2.602 1.00 1.60 C ATOM 442 C VAL A 32 111.783 -5.359 -3.292 1.00 1.53 C ATOM 443 O VAL A 32 110.704 -5.281 -2.739 1.00 1.50 O ATOM 444 CB VAL A 32 113.129 -7.471 -2.956 1.00 1.75 C ATOM 445 CG1 VAL A 32 112.905 -7.690 -4.458 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.525 -7.981 -2.571 1.00 1.83 C ATOM 0 H VAL A 32 111.998 -6.092 -0.711 1.00 1.56 H new ATOM 0 HA VAL A 32 113.890 -5.449 -2.955 1.00 1.60 H new ATOM 0 HB VAL A 32 112.369 -8.022 -2.402 1.00 1.75 H new ATOM 0 HG11 VAL A 32 112.996 -8.751 -4.689 1.00 1.80 H new ATOM 0 HG12 VAL A 32 111.908 -7.344 -4.732 1.00 1.80 H new ATOM 0 HG13 VAL A 32 113.651 -7.131 -5.022 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.609 -9.038 -2.823 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.282 -7.417 -3.116 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.677 -7.851 -1.500 1.00 1.83 H new ATOM 456 N ALA A 33 111.975 -4.896 -4.503 1.00 1.51 N ATOM 457 CA ALA A 33 110.866 -4.244 -5.274 1.00 1.46 C ATOM 458 C ALA A 33 109.536 -5.014 -5.156 1.00 1.53 C ATOM 459 O ALA A 33 109.366 -6.080 -5.715 1.00 1.64 O ATOM 460 CB ALA A 33 111.275 -4.156 -6.765 1.00 1.51 C ATOM 0 H ALA A 33 112.865 -4.942 -4.998 1.00 1.51 H new ATOM 0 HA ALA A 33 110.707 -3.251 -4.853 1.00 1.46 H new ATOM 0 HB1 ALA A 33 110.475 -3.683 -7.334 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.185 -3.564 -6.858 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.453 -5.159 -7.153 1.00 1.51 H new ATOM 466 N GLY A 34 108.580 -4.438 -4.481 1.00 1.46 N ATOM 467 CA GLY A 34 107.233 -5.066 -4.365 1.00 1.52 C ATOM 468 C GLY A 34 107.321 -6.476 -3.795 1.00 1.62 C ATOM 469 O GLY A 34 106.790 -7.409 -4.364 1.00 1.73 O ATOM 0 H GLY A 34 108.677 -3.545 -3.997 1.00 1.46 H new ATOM 0 HA2 GLY A 34 106.599 -4.453 -3.725 1.00 1.52 H new ATOM 0 HA3 GLY A 34 106.760 -5.098 -5.346 1.00 1.52 H new ATOM 473 N VAL A 35 107.967 -6.640 -2.669 1.00 1.59 N ATOM 474 CA VAL A 35 108.073 -7.995 -2.041 1.00 1.69 C ATOM 475 C VAL A 35 107.607 -7.888 -0.567 1.00 1.61 C ATOM 476 O VAL A 35 108.120 -7.052 0.151 1.00 1.55 O ATOM 477 CB VAL A 35 109.541 -8.454 -2.105 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.814 -9.558 -1.073 1.00 2.04 C ATOM 479 CG2 VAL A 35 109.838 -8.999 -3.507 1.00 2.19 C ATOM 0 H VAL A 35 108.429 -5.891 -2.154 1.00 1.59 H new ATOM 0 HA VAL A 35 107.450 -8.719 -2.566 1.00 1.69 H new ATOM 0 HB VAL A 35 110.181 -7.600 -1.884 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.858 -9.866 -1.137 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.608 -9.179 -0.072 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.170 -10.414 -1.276 1.00 2.04 H new ATOM 0 HG21 VAL A 35 110.877 -9.326 -3.558 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.181 -9.844 -3.716 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.667 -8.216 -4.246 1.00 2.19 H new ATOM 489 N PRO A 36 106.664 -8.715 -0.125 1.00 1.67 N ATOM 490 CA PRO A 36 106.206 -8.640 1.274 1.00 1.61 C ATOM 491 C PRO A 36 107.402 -8.843 2.211 1.00 1.61 C ATOM 492 O PRO A 36 108.031 -9.883 2.204 1.00 1.74 O ATOM 493 CB PRO A 36 105.163 -9.773 1.424 1.00 1.76 C ATOM 494 CG PRO A 36 105.041 -10.481 0.043 1.00 1.96 C ATOM 495 CD PRO A 36 105.993 -9.759 -0.938 1.00 1.85 C ATOM 0 HA PRO A 36 105.767 -7.675 1.528 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.474 -10.481 2.192 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.199 -9.369 1.734 1.00 1.76 H new ATOM 0 HG2 PRO A 36 105.306 -11.535 0.128 1.00 1.96 H new ATOM 0 HG3 PRO A 36 104.014 -10.439 -0.319 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.717 -10.452 -1.366 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.443 -9.319 -1.769 1.00 1.85 H new ATOM 503 N ALA A 37 107.721 -7.855 3.014 1.00 1.53 N ATOM 504 CA ALA A 37 108.883 -7.984 3.955 1.00 1.62 C ATOM 505 C ALA A 37 108.415 -7.643 5.367 1.00 1.53 C ATOM 506 O ALA A 37 107.505 -6.859 5.552 1.00 1.52 O ATOM 507 CB ALA A 37 109.987 -7.014 3.528 1.00 1.69 C ATOM 0 H ALA A 37 107.227 -6.964 3.059 1.00 1.53 H new ATOM 0 HA ALA A 37 109.271 -9.002 3.934 1.00 1.62 H new ATOM 0 HB1 ALA A 37 110.834 -7.104 4.209 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.309 -7.253 2.515 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.606 -5.993 3.556 1.00 1.69 H new ATOM 513 N GLU A 38 109.015 -8.227 6.373 1.00 1.50 N ATOM 514 CA GLU A 38 108.570 -7.922 7.763 1.00 1.45 C ATOM 515 C GLU A 38 109.689 -8.171 8.766 1.00 1.50 C ATOM 516 O GLU A 38 110.645 -8.874 8.506 1.00 1.60 O ATOM 517 CB GLU A 38 107.364 -8.809 8.125 1.00 1.54 C ATOM 518 CG GLU A 38 107.825 -10.241 8.437 1.00 1.68 C ATOM 519 CD GLU A 38 106.638 -11.203 8.332 1.00 1.83 C ATOM 520 OE1 GLU A 38 105.917 -11.330 9.308 1.00 2.12 O ATOM 521 OE2 GLU A 38 106.471 -11.795 7.278 1.00 2.23 O ATOM 0 H GLU A 38 109.783 -8.893 6.293 1.00 1.50 H new ATOM 0 HA GLU A 38 108.291 -6.869 7.806 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.844 -8.392 8.987 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.653 -8.821 7.299 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.610 -10.540 7.742 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.253 -10.285 9.439 1.00 1.68 H new ATOM 528 N PHE A 39 109.538 -7.612 9.934 1.00 1.46 N ATOM 529 CA PHE A 39 110.535 -7.809 11.013 1.00 1.54 C ATOM 530 C PHE A 39 109.754 -8.021 12.301 1.00 1.53 C ATOM 531 O PHE A 39 108.538 -8.073 12.291 1.00 1.50 O ATOM 532 CB PHE A 39 111.456 -6.585 11.143 1.00 1.54 C ATOM 533 CG PHE A 39 110.685 -5.308 10.890 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.236 -5.013 9.602 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.436 -4.412 11.938 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.534 -3.827 9.356 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.736 -3.224 11.691 1.00 1.37 C ATOM 538 CZ PHE A 39 109.284 -2.934 10.401 1.00 1.30 C ATOM 0 H PHE A 39 108.749 -7.016 10.187 1.00 1.46 H new ATOM 0 HA PHE A 39 111.172 -8.666 10.792 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.896 -6.559 12.140 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.279 -6.666 10.433 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.431 -5.701 8.793 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.783 -4.637 12.935 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.186 -3.602 8.359 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.546 -2.532 12.498 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.741 -2.020 10.212 1.00 1.30 H new ATOM 548 N SER A 40 110.433 -8.152 13.401 1.00 1.60 N ATOM 549 CA SER A 40 109.729 -8.381 14.704 1.00 1.61 C ATOM 550 C SER A 40 110.075 -7.266 15.692 1.00 1.59 C ATOM 551 O SER A 40 111.178 -6.757 15.714 1.00 1.64 O ATOM 552 CB SER A 40 110.177 -9.721 15.286 1.00 1.73 C ATOM 553 OG SER A 40 111.524 -9.614 15.728 1.00 2.37 O ATOM 0 H SER A 40 111.450 -8.111 13.462 1.00 1.60 H new ATOM 0 HA SER A 40 108.653 -8.386 14.533 1.00 1.61 H new ATOM 0 HB2 SER A 40 109.531 -10.004 16.117 1.00 1.73 H new ATOM 0 HB3 SER A 40 110.090 -10.505 14.533 1.00 1.73 H new ATOM 0 HG SER A 40 112.120 -9.559 14.952 1.00 2.37 H new ATOM 559 N ILE A 41 109.135 -6.893 16.522 1.00 1.54 N ATOM 560 CA ILE A 41 109.385 -5.822 17.533 1.00 1.54 C ATOM 561 C ILE A 41 108.662 -6.199 18.830 1.00 1.60 C ATOM 562 O ILE A 41 107.453 -6.299 18.869 1.00 1.65 O ATOM 563 CB ILE A 41 108.854 -4.478 17.007 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.817 -3.936 15.944 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.755 -3.468 18.160 1.00 1.50 C ATOM 566 CD1 ILE A 41 109.187 -2.735 15.233 1.00 1.34 C ATOM 0 H ILE A 41 108.195 -7.289 16.542 1.00 1.54 H new ATOM 0 HA ILE A 41 110.454 -5.725 17.720 1.00 1.54 H new ATOM 0 HB ILE A 41 107.865 -4.627 16.573 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.758 -3.642 16.409 1.00 1.47 H new ATOM 0 HG13 ILE A 41 110.050 -4.717 15.220 1.00 1.47 H new ATOM 0 HG21 ILE A 41 108.378 -2.518 17.780 1.00 1.50 H new ATOM 0 HG22 ILE A 41 108.075 -3.850 18.921 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.742 -3.318 18.598 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.877 -2.355 14.479 1.00 1.34 H new ATOM 0 HD12 ILE A 41 108.258 -3.043 14.753 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.977 -1.951 15.960 1.00 1.34 H new ATOM 578 N TRP A 42 109.402 -6.407 19.889 1.00 1.65 N ATOM 579 CA TRP A 42 108.785 -6.778 21.201 1.00 1.71 C ATOM 580 C TRP A 42 109.022 -5.629 22.191 1.00 1.77 C ATOM 581 O TRP A 42 110.128 -5.152 22.353 1.00 1.78 O ATOM 582 CB TRP A 42 109.437 -8.092 21.690 1.00 1.88 C ATOM 583 CG TRP A 42 109.515 -8.143 23.190 1.00 2.08 C ATOM 584 CD1 TRP A 42 110.432 -7.489 23.940 1.00 2.66 C ATOM 585 CD2 TRP A 42 108.666 -8.870 24.126 1.00 2.36 C ATOM 586 NE1 TRP A 42 110.200 -7.767 25.275 1.00 2.89 N ATOM 587 CE2 TRP A 42 109.122 -8.613 25.441 1.00 2.64 C ATOM 588 CE3 TRP A 42 107.554 -9.718 23.964 1.00 3.00 C ATOM 589 CZ2 TRP A 42 108.500 -9.178 26.554 1.00 3.08 C ATOM 590 CZ3 TRP A 42 106.926 -10.288 25.084 1.00 3.68 C ATOM 591 CH2 TRP A 42 107.398 -10.017 26.376 1.00 3.56 C ATOM 0 H TRP A 42 110.419 -6.335 19.902 1.00 1.65 H new ATOM 0 HA TRP A 42 107.711 -6.937 21.109 1.00 1.71 H new ATOM 0 HB2 TRP A 42 108.861 -8.943 21.325 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.439 -8.181 21.269 1.00 1.88 H new ATOM 0 HD1 TRP A 42 111.217 -6.853 23.558 1.00 2.66 H new ATOM 0 HE1 TRP A 42 110.757 -7.393 26.043 1.00 2.89 H new ATOM 0 HE3 TRP A 42 107.182 -9.932 22.973 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.868 -8.968 27.547 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 106.075 -10.939 24.949 1.00 3.68 H new ATOM 0 HH2 TRP A 42 106.910 -10.457 27.233 1.00 3.56 H new ATOM 602 N THR A 43 107.985 -5.180 22.848 1.00 1.91 N ATOM 603 CA THR A 43 108.131 -4.059 23.824 1.00 2.07 C ATOM 604 C THR A 43 107.172 -4.285 24.996 1.00 1.92 C ATOM 605 O THR A 43 107.157 -5.338 25.602 1.00 2.17 O ATOM 606 CB THR A 43 107.790 -2.738 23.124 1.00 2.42 C ATOM 607 OG1 THR A 43 106.378 -2.609 23.018 1.00 2.72 O ATOM 608 CG2 THR A 43 108.407 -2.724 21.725 1.00 2.89 C ATOM 0 H THR A 43 107.037 -5.544 22.750 1.00 1.91 H new ATOM 0 HA THR A 43 109.155 -4.019 24.197 1.00 2.07 H new ATOM 0 HB THR A 43 108.190 -1.907 23.705 1.00 2.42 H new ATOM 0 HG1 THR A 43 106.159 -1.764 22.572 1.00 2.72 H new ATOM 0 HG21 THR A 43 108.163 -1.784 21.229 1.00 2.89 H new ATOM 0 HG22 THR A 43 109.490 -2.823 21.804 1.00 2.89 H new ATOM 0 HG23 THR A 43 108.008 -3.555 21.143 1.00 2.89 H new ATOM 616 N ARG A 44 106.369 -3.307 25.314 1.00 1.96 N ATOM 617 CA ARG A 44 105.403 -3.459 26.439 1.00 1.92 C ATOM 618 C ARG A 44 106.149 -3.814 27.727 1.00 1.92 C ATOM 619 O ARG A 44 106.190 -4.956 28.140 1.00 2.18 O ATOM 620 CB ARG A 44 104.397 -4.565 26.103 1.00 2.09 C ATOM 621 CG ARG A 44 103.242 -4.543 27.118 1.00 2.62 C ATOM 622 CD ARG A 44 102.098 -5.488 26.669 1.00 3.00 C ATOM 623 NE ARG A 44 101.689 -6.391 27.800 1.00 3.63 N ATOM 624 CZ ARG A 44 102.554 -7.148 28.425 1.00 4.14 C ATOM 625 NH1 ARG A 44 103.792 -7.209 28.018 1.00 4.51 N ATOM 626 NH2 ARG A 44 102.169 -7.868 29.443 1.00 4.63 N ATOM 0 H ARG A 44 106.340 -2.404 24.840 1.00 1.96 H new ATOM 0 HA ARG A 44 104.873 -2.518 26.585 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.010 -4.423 25.094 1.00 2.09 H new ATOM 0 HB3 ARG A 44 104.891 -5.537 26.121 1.00 2.09 H new ATOM 0 HG2 ARG A 44 103.608 -4.847 28.099 1.00 2.62 H new ATOM 0 HG3 ARG A 44 102.861 -3.527 27.221 1.00 2.62 H new ATOM 0 HD2 ARG A 44 101.242 -4.901 26.337 1.00 3.00 H new ATOM 0 HD3 ARG A 44 102.424 -6.086 25.818 1.00 3.00 H new ATOM 0 HE ARG A 44 100.711 -6.414 28.088 1.00 3.63 H new ATOM 0 HH11 ARG A 44 104.090 -6.665 27.208 1.00 4.51 H new ATOM 0 HH12 ARG A 44 104.462 -7.801 28.509 1.00 4.51 H new ATOM 0 HH21 ARG A 44 101.196 -7.840 29.749 1.00 4.63 H new ATOM 0 HH22 ARG A 44 102.841 -8.459 29.933 1.00 4.63 H new ATOM 640 N GLU A 45 106.727 -2.837 28.373 1.00 1.87 N ATOM 641 CA GLU A 45 107.457 -3.103 29.647 1.00 1.94 C ATOM 642 C GLU A 45 107.504 -1.807 30.461 1.00 1.84 C ATOM 643 O GLU A 45 107.124 -1.774 31.614 1.00 1.87 O ATOM 644 CB GLU A 45 108.887 -3.592 29.342 1.00 2.09 C ATOM 645 CG GLU A 45 109.381 -4.503 30.471 1.00 2.37 C ATOM 646 CD GLU A 45 108.632 -5.836 30.417 1.00 2.40 C ATOM 647 OE1 GLU A 45 108.716 -6.499 29.396 1.00 2.73 O ATOM 648 OE2 GLU A 45 107.985 -6.170 31.396 1.00 2.89 O ATOM 0 H GLU A 45 106.725 -1.862 28.072 1.00 1.87 H new ATOM 0 HA GLU A 45 106.943 -3.878 30.216 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.901 -4.132 28.395 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.556 -2.739 29.233 1.00 2.09 H new ATOM 0 HG2 GLU A 45 110.453 -4.672 30.373 1.00 2.37 H new ATOM 0 HG3 GLU A 45 109.221 -4.023 31.436 1.00 2.37 H new ATOM 655 N ALA A 46 107.954 -0.734 29.865 1.00 1.74 N ATOM 656 CA ALA A 46 108.006 0.554 30.607 1.00 1.71 C ATOM 657 C ALA A 46 106.593 0.933 31.031 1.00 1.64 C ATOM 658 O ALA A 46 106.344 1.277 32.169 1.00 1.71 O ATOM 659 CB ALA A 46 108.578 1.654 29.709 1.00 1.66 C ATOM 0 H ALA A 46 108.286 -0.696 28.901 1.00 1.74 H new ATOM 0 HA ALA A 46 108.645 0.444 31.483 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.612 2.593 30.261 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.585 1.381 29.395 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.944 1.773 28.830 1.00 1.66 H new ATOM 665 N GLY A 47 105.660 0.870 30.121 1.00 1.60 N ATOM 666 CA GLY A 47 104.256 1.222 30.466 1.00 1.58 C ATOM 667 C GLY A 47 103.539 1.742 29.220 1.00 1.42 C ATOM 668 O GLY A 47 104.079 1.730 28.132 1.00 1.37 O ATOM 0 H GLY A 47 105.811 0.589 29.152 1.00 1.60 H new ATOM 0 HA2 GLY A 47 103.737 0.348 30.859 1.00 1.58 H new ATOM 0 HA3 GLY A 47 104.242 1.980 31.249 1.00 1.58 H new ATOM 672 N ALA A 48 102.327 2.201 29.369 1.00 1.40 N ATOM 673 CA ALA A 48 101.581 2.721 28.190 1.00 1.27 C ATOM 674 C ALA A 48 102.433 3.778 27.487 1.00 1.21 C ATOM 675 O ALA A 48 103.361 4.317 28.056 1.00 1.37 O ATOM 676 CB ALA A 48 100.266 3.351 28.653 1.00 1.32 C ATOM 0 H ALA A 48 101.822 2.238 30.255 1.00 1.40 H new ATOM 0 HA ALA A 48 101.366 1.904 27.502 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.721 3.731 27.789 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.662 2.600 29.161 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.477 4.172 29.339 1.00 1.32 H new ATOM 682 N GLY A 49 102.130 4.079 26.254 1.00 1.04 N ATOM 683 CA GLY A 49 102.935 5.102 25.527 1.00 1.02 C ATOM 684 C GLY A 49 102.449 5.208 24.082 1.00 0.87 C ATOM 685 O GLY A 49 101.334 4.845 23.763 1.00 0.71 O ATOM 0 H GLY A 49 101.365 3.664 25.721 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.846 6.069 26.023 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.990 4.830 25.547 1.00 1.02 H new ATOM 689 N GLY A 50 103.279 5.706 23.202 1.00 0.98 N ATOM 690 CA GLY A 50 102.867 5.842 21.773 1.00 0.86 C ATOM 691 C GLY A 50 104.073 5.610 20.861 1.00 0.86 C ATOM 692 O GLY A 50 105.091 6.262 20.979 1.00 1.06 O ATOM 0 H GLY A 50 104.225 6.025 23.412 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.081 5.123 21.542 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.453 6.835 21.597 1.00 0.86 H new ATOM 696 N LEU A 51 103.957 4.686 19.943 1.00 0.74 N ATOM 697 CA LEU A 51 105.081 4.400 19.000 1.00 0.75 C ATOM 698 C LEU A 51 104.790 5.091 17.676 1.00 0.68 C ATOM 699 O LEU A 51 104.017 4.599 16.884 1.00 0.60 O ATOM 700 CB LEU A 51 105.177 2.885 18.773 1.00 0.74 C ATOM 701 CG LEU A 51 106.450 2.541 17.969 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.659 2.432 18.906 1.00 1.10 C ATOM 703 CD2 LEU A 51 106.258 1.200 17.250 1.00 0.77 C ATOM 0 H LEU A 51 103.125 4.112 19.805 1.00 0.74 H new ATOM 0 HA LEU A 51 106.021 4.765 19.413 1.00 0.75 H new ATOM 0 HB2 LEU A 51 105.194 2.367 19.732 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.295 2.534 18.237 1.00 0.74 H new ATOM 0 HG LEU A 51 106.627 3.334 17.242 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.549 2.189 18.325 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.809 3.382 19.419 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.480 1.647 19.641 1.00 1.10 H new ATOM 0 HD21 LEU A 51 107.157 0.959 16.683 1.00 0.77 H new ATOM 0 HD22 LEU A 51 106.071 0.417 17.985 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.409 1.270 16.570 1.00 0.77 H new ATOM 715 N SER A 52 105.407 6.221 17.433 1.00 0.75 N ATOM 716 CA SER A 52 105.179 6.957 16.156 1.00 0.71 C ATOM 717 C SER A 52 106.131 6.403 15.099 1.00 0.70 C ATOM 718 O SER A 52 107.267 6.096 15.405 1.00 0.78 O ATOM 719 CB SER A 52 105.465 8.444 16.370 1.00 0.82 C ATOM 720 OG SER A 52 106.869 8.659 16.351 1.00 1.56 O ATOM 0 H SER A 52 106.065 6.667 18.072 1.00 0.75 H new ATOM 0 HA SER A 52 104.146 6.833 15.830 1.00 0.71 H new ATOM 0 HB2 SER A 52 104.984 9.035 15.590 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.048 8.773 17.322 1.00 0.82 H new ATOM 0 HG SER A 52 107.145 8.938 15.453 1.00 1.56 H new ATOM 726 N ILE A 53 105.694 6.265 13.859 1.00 0.61 N ATOM 727 CA ILE A 53 106.601 5.724 12.798 1.00 0.61 C ATOM 728 C ILE A 53 106.561 6.640 11.575 1.00 0.57 C ATOM 729 O ILE A 53 105.551 6.762 10.911 1.00 0.65 O ATOM 730 CB ILE A 53 106.144 4.323 12.392 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.124 3.416 13.627 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.111 3.751 11.353 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.418 2.102 13.287 1.00 0.64 C ATOM 0 H ILE A 53 104.754 6.504 13.544 1.00 0.61 H new ATOM 0 HA ILE A 53 107.618 5.676 13.188 1.00 0.61 H new ATOM 0 HB ILE A 53 105.143 4.377 11.964 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.142 3.218 13.961 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.610 3.915 14.449 1.00 0.64 H new ATOM 0 HG21 ILE A 53 106.785 2.752 11.064 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.125 4.397 10.475 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.113 3.696 11.779 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.405 1.458 14.166 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.395 2.309 12.973 1.00 0.64 H new ATOM 0 HD13 ILE A 53 105.951 1.601 12.479 1.00 0.64 H new ATOM 745 N ALA A 54 107.661 7.280 11.271 1.00 0.60 N ATOM 746 CA ALA A 54 107.717 8.191 10.089 1.00 0.57 C ATOM 747 C ALA A 54 108.501 7.502 8.974 1.00 0.54 C ATOM 748 O ALA A 54 109.706 7.353 9.051 1.00 0.63 O ATOM 749 CB ALA A 54 108.426 9.490 10.480 1.00 0.69 C ATOM 0 H ALA A 54 108.532 7.209 11.797 1.00 0.60 H new ATOM 0 HA ALA A 54 106.707 8.420 9.748 1.00 0.57 H new ATOM 0 HB1 ALA A 54 108.467 10.156 9.618 1.00 0.69 H new ATOM 0 HB2 ALA A 54 107.877 9.975 11.287 1.00 0.69 H new ATOM 0 HB3 ALA A 54 109.439 9.265 10.814 1.00 0.69 H new ATOM 755 N VAL A 55 107.823 7.074 7.939 1.00 0.45 N ATOM 756 CA VAL A 55 108.515 6.386 6.806 1.00 0.47 C ATOM 757 C VAL A 55 108.690 7.372 5.648 1.00 0.41 C ATOM 758 O VAL A 55 107.828 8.181 5.368 1.00 0.39 O ATOM 759 CB VAL A 55 107.669 5.183 6.325 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.124 3.898 7.030 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.188 5.431 6.638 1.00 0.79 C ATOM 0 H VAL A 55 106.814 7.172 7.829 1.00 0.45 H new ATOM 0 HA VAL A 55 109.489 6.031 7.143 1.00 0.47 H new ATOM 0 HB VAL A 55 107.804 5.071 5.249 1.00 0.47 H new ATOM 0 HG11 VAL A 55 107.521 3.059 6.683 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.173 3.710 6.802 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.002 4.011 8.107 1.00 0.91 H new ATOM 0 HG21 VAL A 55 105.597 4.581 6.297 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.059 5.555 7.713 1.00 0.79 H new ATOM 0 HG23 VAL A 55 105.854 6.334 6.126 1.00 0.79 H new ATOM 771 N GLU A 56 109.795 7.288 4.961 1.00 0.44 N ATOM 772 CA GLU A 56 110.039 8.189 3.799 1.00 0.40 C ATOM 773 C GLU A 56 110.749 7.370 2.716 1.00 0.43 C ATOM 774 O GLU A 56 111.529 6.486 3.009 1.00 0.52 O ATOM 775 CB GLU A 56 110.895 9.386 4.254 1.00 0.47 C ATOM 776 CG GLU A 56 111.576 10.047 3.051 1.00 0.49 C ATOM 777 CD GLU A 56 112.143 11.406 3.466 1.00 1.08 C ATOM 778 OE1 GLU A 56 111.356 12.280 3.789 1.00 1.71 O ATOM 779 OE2 GLU A 56 113.354 11.549 3.455 1.00 1.80 O ATOM 0 H GLU A 56 110.547 6.627 5.157 1.00 0.44 H new ATOM 0 HA GLU A 56 109.106 8.584 3.397 1.00 0.40 H new ATOM 0 HB2 GLU A 56 110.268 10.114 4.770 1.00 0.47 H new ATOM 0 HB3 GLU A 56 111.648 9.052 4.967 1.00 0.47 H new ATOM 0 HG2 GLU A 56 112.375 9.407 2.676 1.00 0.49 H new ATOM 0 HG3 GLU A 56 110.860 10.173 2.239 1.00 0.49 H new ATOM 786 N GLY A 57 110.477 7.636 1.470 1.00 0.41 N ATOM 787 CA GLY A 57 111.135 6.851 0.389 1.00 0.49 C ATOM 788 C GLY A 57 110.392 7.068 -0.937 1.00 0.45 C ATOM 789 O GLY A 57 109.514 7.900 -1.012 1.00 0.44 O ATOM 0 H GLY A 57 109.831 8.359 1.154 1.00 0.41 H new ATOM 0 HA2 GLY A 57 112.176 7.157 0.287 1.00 0.49 H new ATOM 0 HA3 GLY A 57 111.137 5.792 0.646 1.00 0.49 H new ATOM 793 N PRO A 58 110.776 6.323 -1.954 1.00 0.50 N ATOM 794 CA PRO A 58 110.156 6.438 -3.292 1.00 0.52 C ATOM 795 C PRO A 58 108.698 5.957 -3.296 1.00 0.54 C ATOM 796 O PRO A 58 107.894 6.438 -4.070 1.00 0.56 O ATOM 797 CB PRO A 58 111.024 5.547 -4.206 1.00 0.63 C ATOM 798 CG PRO A 58 112.097 4.857 -3.313 1.00 0.66 C ATOM 799 CD PRO A 58 111.865 5.327 -1.861 1.00 0.60 C ATOM 0 HA PRO A 58 110.122 7.476 -3.624 1.00 0.52 H new ATOM 0 HB2 PRO A 58 110.409 4.802 -4.710 1.00 0.63 H new ATOM 0 HB3 PRO A 58 111.500 6.145 -4.983 1.00 0.63 H new ATOM 0 HG2 PRO A 58 112.014 3.772 -3.383 1.00 0.66 H new ATOM 0 HG3 PRO A 58 113.101 5.122 -3.646 1.00 0.66 H new ATOM 0 HD2 PRO A 58 111.585 4.494 -1.216 1.00 0.60 H new ATOM 0 HD3 PRO A 58 112.768 5.767 -1.439 1.00 0.60 H new ATOM 807 N SER A 59 108.352 5.011 -2.462 1.00 0.56 N ATOM 808 CA SER A 59 106.941 4.496 -2.445 1.00 0.60 C ATOM 809 C SER A 59 106.387 4.519 -1.020 1.00 0.55 C ATOM 810 O SER A 59 107.056 4.911 -0.084 1.00 0.55 O ATOM 811 CB SER A 59 106.934 3.058 -2.987 1.00 0.71 C ATOM 812 OG SER A 59 106.691 2.139 -1.926 1.00 1.55 O ATOM 0 H SER A 59 108.981 4.570 -1.791 1.00 0.56 H new ATOM 0 HA SER A 59 106.312 5.131 -3.069 1.00 0.60 H new ATOM 0 HB2 SER A 59 106.166 2.953 -3.753 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.890 2.835 -3.461 1.00 0.71 H new ATOM 0 HG SER A 59 107.497 2.056 -1.374 1.00 1.55 H new ATOM 818 N LYS A 60 105.159 4.101 -0.857 1.00 0.59 N ATOM 819 CA LYS A 60 104.535 4.092 0.497 1.00 0.57 C ATOM 820 C LYS A 60 104.767 2.728 1.150 1.00 0.63 C ATOM 821 O LYS A 60 104.263 1.720 0.695 1.00 0.73 O ATOM 822 CB LYS A 60 103.025 4.326 0.365 1.00 0.63 C ATOM 823 CG LYS A 60 102.747 5.630 -0.399 1.00 1.23 C ATOM 824 CD LYS A 60 102.896 6.838 0.536 1.00 1.29 C ATOM 825 CE LYS A 60 102.362 8.093 -0.159 1.00 1.87 C ATOM 826 NZ LYS A 60 102.280 9.208 0.826 1.00 2.53 N ATOM 0 H LYS A 60 104.559 3.764 -1.609 1.00 0.59 H new ATOM 0 HA LYS A 60 104.980 4.879 1.106 1.00 0.57 H new ATOM 0 HB2 LYS A 60 102.565 3.487 -0.157 1.00 0.63 H new ATOM 0 HB3 LYS A 60 102.571 4.373 1.355 1.00 0.63 H new ATOM 0 HG2 LYS A 60 103.438 5.723 -1.237 1.00 1.23 H new ATOM 0 HG3 LYS A 60 101.741 5.607 -0.817 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.350 6.663 1.463 1.00 1.29 H new ATOM 0 HD3 LYS A 60 103.943 6.976 0.804 1.00 1.29 H new ATOM 0 HE2 LYS A 60 103.016 8.371 -0.985 1.00 1.87 H new ATOM 0 HE3 LYS A 60 101.378 7.896 -0.584 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.823 10.030 0.382 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 101.721 8.904 1.649 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 103.238 9.469 1.135 1.00 2.53 H new ATOM 840 N ALA A 61 105.518 2.682 2.214 1.00 0.66 N ATOM 841 CA ALA A 61 105.766 1.377 2.887 1.00 0.76 C ATOM 842 C ALA A 61 104.453 0.856 3.476 1.00 0.77 C ATOM 843 O ALA A 61 103.988 1.328 4.494 1.00 0.78 O ATOM 844 CB ALA A 61 106.792 1.565 4.006 1.00 0.82 C ATOM 0 H ALA A 61 105.969 3.488 2.646 1.00 0.66 H new ATOM 0 HA ALA A 61 106.151 0.659 2.163 1.00 0.76 H new ATOM 0 HB1 ALA A 61 106.973 0.609 4.498 1.00 0.82 H new ATOM 0 HB2 ALA A 61 107.725 1.939 3.585 1.00 0.82 H new ATOM 0 HB3 ALA A 61 106.410 2.281 4.734 1.00 0.82 H new ATOM 850 N GLU A 62 103.847 -0.109 2.842 1.00 0.88 N ATOM 851 CA GLU A 62 102.561 -0.652 3.367 1.00 0.93 C ATOM 852 C GLU A 62 102.802 -1.329 4.717 1.00 0.96 C ATOM 853 O GLU A 62 102.761 -2.537 4.826 1.00 1.43 O ATOM 854 CB GLU A 62 101.999 -1.676 2.381 1.00 1.11 C ATOM 855 CG GLU A 62 101.928 -1.058 0.984 1.00 1.50 C ATOM 856 CD GLU A 62 101.229 -2.030 0.033 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.009 -2.029 0.007 1.00 2.14 O ATOM 858 OE2 GLU A 62 101.925 -2.760 -0.653 1.00 2.30 O ATOM 0 H GLU A 62 104.185 -0.545 1.984 1.00 0.88 H new ATOM 0 HA GLU A 62 101.850 0.164 3.492 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.630 -2.565 2.365 1.00 1.11 H new ATOM 0 HB3 GLU A 62 101.007 -1.996 2.699 1.00 1.11 H new ATOM 0 HG2 GLU A 62 101.385 -0.113 1.019 1.00 1.50 H new ATOM 0 HG3 GLU A 62 102.932 -0.836 0.621 1.00 1.50 H new ATOM 865 N ILE A 63 103.048 -0.556 5.743 1.00 0.97 N ATOM 866 CA ILE A 63 103.290 -1.147 7.094 1.00 0.94 C ATOM 867 C ILE A 63 102.077 -1.985 7.504 1.00 1.01 C ATOM 868 O ILE A 63 100.960 -1.697 7.122 1.00 1.06 O ATOM 869 CB ILE A 63 103.504 -0.020 8.118 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.556 1.000 7.589 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.992 -0.635 9.435 1.00 1.28 C ATOM 872 CD1 ILE A 63 103.862 2.245 7.017 1.00 1.40 C ATOM 0 H ILE A 63 103.092 0.462 5.704 1.00 0.97 H new ATOM 0 HA ILE A 63 104.177 -1.779 7.062 1.00 0.94 H new ATOM 0 HB ILE A 63 102.564 0.507 8.279 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.227 1.290 8.397 1.00 1.06 H new ATOM 0 HG13 ILE A 63 105.169 0.532 6.818 1.00 1.06 H new ATOM 0 HG21 ILE A 63 104.148 0.155 10.170 1.00 1.28 H new ATOM 0 HG22 ILE A 63 103.245 -1.336 9.808 1.00 1.28 H new ATOM 0 HG23 ILE A 63 104.931 -1.162 9.265 1.00 1.28 H new ATOM 0 HD11 ILE A 63 104.614 2.945 6.653 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.210 1.952 6.194 1.00 1.40 H new ATOM 0 HD13 ILE A 63 103.269 2.722 7.798 1.00 1.40 H new ATOM 884 N ALA A 64 102.279 -3.024 8.278 1.00 1.04 N ATOM 885 CA ALA A 64 101.127 -3.871 8.700 1.00 1.13 C ATOM 886 C ALA A 64 101.422 -4.487 10.070 1.00 1.14 C ATOM 887 O ALA A 64 102.449 -5.102 10.276 1.00 1.36 O ATOM 888 CB ALA A 64 100.907 -4.979 7.663 1.00 1.26 C ATOM 0 H ALA A 64 103.189 -3.319 8.633 1.00 1.04 H new ATOM 0 HA ALA A 64 100.226 -3.261 8.771 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.065 -5.601 7.968 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.695 -4.532 6.692 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.805 -5.593 7.591 1.00 1.26 H new ATOM 894 N PHE A 65 100.528 -4.330 11.009 1.00 1.16 N ATOM 895 CA PHE A 65 100.755 -4.907 12.367 1.00 1.16 C ATOM 896 C PHE A 65 100.253 -6.353 12.398 1.00 1.28 C ATOM 897 O PHE A 65 99.147 -6.644 11.989 1.00 1.35 O ATOM 898 CB PHE A 65 99.989 -4.082 13.402 1.00 1.11 C ATOM 899 CG PHE A 65 98.522 -4.064 13.045 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.020 -3.068 12.199 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.665 -5.045 13.559 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.660 -3.053 11.867 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.305 -5.030 13.226 1.00 1.43 C ATOM 904 CZ PHE A 65 95.803 -4.034 12.380 1.00 1.47 C ATOM 0 H PHE A 65 99.648 -3.826 10.895 1.00 1.16 H new ATOM 0 HA PHE A 65 101.820 -4.887 12.598 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.127 -4.507 14.396 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.379 -3.065 13.433 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.681 -2.312 11.803 1.00 1.23 H new ATOM 0 HD2 PHE A 65 98.053 -5.813 14.212 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.272 -2.284 11.215 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.644 -5.787 13.622 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.754 -4.022 12.123 1.00 1.47 H new ATOM 914 N GLU A 66 101.059 -7.263 12.886 1.00 1.35 N ATOM 915 CA GLU A 66 100.635 -8.697 12.952 1.00 1.50 C ATOM 916 C GLU A 66 101.140 -9.315 14.257 1.00 1.54 C ATOM 917 O GLU A 66 102.322 -9.537 14.434 1.00 1.61 O ATOM 918 CB GLU A 66 101.229 -9.462 11.766 1.00 1.62 C ATOM 919 CG GLU A 66 100.661 -10.885 11.736 1.00 1.80 C ATOM 920 CD GLU A 66 101.351 -11.690 10.633 1.00 1.94 C ATOM 921 OE1 GLU A 66 101.256 -11.288 9.485 1.00 2.51 O ATOM 922 OE2 GLU A 66 101.963 -12.695 10.956 1.00 2.01 O ATOM 0 H GLU A 66 101.996 -7.074 13.243 1.00 1.35 H new ATOM 0 HA GLU A 66 99.547 -8.756 12.915 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.996 -8.947 10.834 1.00 1.62 H new ATOM 0 HB3 GLU A 66 102.315 -9.495 11.849 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.812 -11.368 12.701 1.00 1.80 H new ATOM 0 HG3 GLU A 66 99.586 -10.855 11.560 1.00 1.80 H new ATOM 1006 N SER A 72 104.867 -10.180 20.776 1.00 1.78 N ATOM 1007 CA SER A 72 105.839 -9.679 19.757 1.00 1.72 C ATOM 1008 C SER A 72 105.081 -8.883 18.695 1.00 1.60 C ATOM 1009 O SER A 72 104.186 -9.390 18.048 1.00 1.64 O ATOM 1010 CB SER A 72 106.540 -10.866 19.094 1.00 1.82 C ATOM 1011 OG SER A 72 107.261 -10.408 17.957 1.00 2.20 O ATOM 0 HA SER A 72 106.581 -9.042 20.239 1.00 1.72 H new ATOM 0 HB2 SER A 72 107.218 -11.344 19.801 1.00 1.82 H new ATOM 0 HB3 SER A 72 105.808 -11.617 18.797 1.00 1.82 H new ATOM 0 HG SER A 72 107.713 -11.165 17.530 1.00 2.20 H new ATOM 1017 N CYS A 73 105.423 -7.636 18.515 1.00 1.50 N ATOM 1018 CA CYS A 73 104.710 -6.807 17.499 1.00 1.40 C ATOM 1019 C CYS A 73 105.312 -7.053 16.113 1.00 1.37 C ATOM 1020 O CYS A 73 106.385 -6.580 15.796 1.00 1.39 O ATOM 1021 CB CYS A 73 104.845 -5.326 17.860 1.00 1.31 C ATOM 1022 SG CYS A 73 104.374 -5.082 19.591 1.00 2.05 S ATOM 0 H CYS A 73 106.164 -7.155 19.026 1.00 1.50 H new ATOM 0 HA CYS A 73 103.656 -7.084 17.487 1.00 1.40 H new ATOM 0 HB2 CYS A 73 105.871 -4.994 17.701 1.00 1.31 H new ATOM 0 HB3 CYS A 73 104.210 -4.723 17.211 1.00 1.31 H new ATOM 0 HG CYS A 73 104.491 -3.824 19.899 1.00 2.05 H new ATOM 1028 N GLY A 74 104.620 -7.786 15.283 1.00 1.39 N ATOM 1029 CA GLY A 74 105.134 -8.064 13.911 1.00 1.38 C ATOM 1030 C GLY A 74 104.740 -6.914 12.985 1.00 1.28 C ATOM 1031 O GLY A 74 103.575 -6.664 12.748 1.00 1.26 O ATOM 0 H GLY A 74 103.716 -8.206 15.498 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.218 -8.175 13.931 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.724 -9.003 13.539 1.00 1.38 H new ATOM 1035 N VAL A 75 105.709 -6.211 12.466 1.00 1.25 N ATOM 1036 CA VAL A 75 105.418 -5.058 11.551 1.00 1.16 C ATOM 1037 C VAL A 75 105.770 -5.442 10.115 1.00 1.20 C ATOM 1038 O VAL A 75 106.917 -5.404 9.714 1.00 1.25 O ATOM 1039 CB VAL A 75 106.266 -3.862 11.981 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.939 -2.659 11.099 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.962 -3.521 13.442 1.00 1.57 C ATOM 0 H VAL A 75 106.700 -6.383 12.635 1.00 1.25 H new ATOM 0 HA VAL A 75 104.360 -4.802 11.604 1.00 1.16 H new ATOM 0 HB VAL A 75 107.322 -4.111 11.877 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.545 -1.807 11.407 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.156 -2.901 10.059 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.883 -2.409 11.201 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.567 -2.668 13.750 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.906 -3.273 13.546 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.197 -4.379 14.072 1.00 1.57 H new ATOM 1051 N SER A 76 104.788 -5.809 9.335 1.00 1.22 N ATOM 1052 CA SER A 76 105.056 -6.193 7.919 1.00 1.29 C ATOM 1053 C SER A 76 104.965 -4.952 7.035 1.00 1.19 C ATOM 1054 O SER A 76 104.023 -4.193 7.119 1.00 1.20 O ATOM 1055 CB SER A 76 104.023 -7.235 7.466 1.00 1.40 C ATOM 1056 OG SER A 76 103.706 -7.027 6.096 1.00 1.85 O ATOM 0 H SER A 76 103.810 -5.859 9.619 1.00 1.22 H new ATOM 0 HA SER A 76 106.055 -6.622 7.837 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.419 -8.240 7.610 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.122 -7.157 8.074 1.00 1.40 H new ATOM 0 HG SER A 76 103.048 -7.693 5.808 1.00 1.85 H new ATOM 1062 N TYR A 77 105.942 -4.737 6.186 1.00 1.21 N ATOM 1063 CA TYR A 77 105.920 -3.538 5.291 1.00 1.12 C ATOM 1064 C TYR A 77 106.257 -3.954 3.858 1.00 1.20 C ATOM 1065 O TYR A 77 107.260 -4.592 3.605 1.00 1.43 O ATOM 1066 CB TYR A 77 106.926 -2.492 5.803 1.00 1.07 C ATOM 1067 CG TYR A 77 108.340 -2.857 5.390 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.907 -4.059 5.828 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.081 -1.993 4.571 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.211 -4.396 5.449 1.00 1.47 C ATOM 1071 CE2 TYR A 77 110.385 -2.333 4.192 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.950 -3.535 4.631 1.00 1.39 C ATOM 1073 OH TYR A 77 112.235 -3.871 4.258 1.00 1.54 O ATOM 0 H TYR A 77 106.755 -5.342 6.075 1.00 1.21 H new ATOM 0 HA TYR A 77 104.923 -3.097 5.298 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.669 -1.509 5.407 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.866 -2.424 6.889 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.338 -4.726 6.458 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.645 -1.065 4.232 1.00 1.18 H new ATOM 0 HE1 TYR A 77 110.648 -5.323 5.789 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.955 -1.667 3.561 1.00 1.28 H new ATOM 0 HH TYR A 77 112.763 -4.081 5.056 1.00 1.54 H new ATOM 1083 N VAL A 78 105.414 -3.596 2.920 1.00 1.13 N ATOM 1084 CA VAL A 78 105.659 -3.966 1.489 1.00 1.21 C ATOM 1085 C VAL A 78 106.072 -2.722 0.692 1.00 1.14 C ATOM 1086 O VAL A 78 105.253 -1.893 0.347 1.00 1.11 O ATOM 1087 CB VAL A 78 104.368 -4.548 0.896 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.687 -5.336 -0.381 1.00 1.81 C ATOM 1089 CG2 VAL A 78 103.697 -5.470 1.927 1.00 1.90 C ATOM 0 H VAL A 78 104.562 -3.060 3.084 1.00 1.13 H new ATOM 0 HA VAL A 78 106.459 -4.705 1.435 1.00 1.21 H new ATOM 0 HB VAL A 78 103.688 -3.733 0.647 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.766 -5.746 -0.795 1.00 1.81 H new ATOM 0 HG12 VAL A 78 105.150 -4.673 -1.112 1.00 1.81 H new ATOM 0 HG13 VAL A 78 105.372 -6.150 -0.145 1.00 1.81 H new ATOM 0 HG21 VAL A 78 102.781 -5.882 1.504 1.00 1.90 H new ATOM 0 HG22 VAL A 78 104.376 -6.283 2.184 1.00 1.90 H new ATOM 0 HG23 VAL A 78 103.458 -4.899 2.824 1.00 1.90 H new ATOM 1099 N VAL A 79 107.336 -2.594 0.389 1.00 1.17 N ATOM 1100 CA VAL A 79 107.804 -1.414 -0.396 1.00 1.11 C ATOM 1101 C VAL A 79 107.510 -1.661 -1.875 1.00 1.15 C ATOM 1102 O VAL A 79 107.180 -2.760 -2.265 1.00 1.24 O ATOM 1103 CB VAL A 79 109.312 -1.232 -0.188 1.00 1.14 C ATOM 1104 CG1 VAL A 79 109.557 -0.521 1.153 1.00 1.13 C ATOM 1105 CG2 VAL A 79 109.991 -2.609 -0.171 1.00 1.27 C ATOM 0 H VAL A 79 108.066 -3.256 0.651 1.00 1.17 H new ATOM 0 HA VAL A 79 107.288 -0.513 -0.065 1.00 1.11 H new ATOM 0 HB VAL A 79 109.726 -0.632 -0.999 1.00 1.14 H new ATOM 0 HG11 VAL A 79 110.628 -0.390 1.305 1.00 1.13 H new ATOM 0 HG12 VAL A 79 109.070 0.454 1.142 1.00 1.13 H new ATOM 0 HG13 VAL A 79 109.147 -1.123 1.964 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.064 -2.484 -0.023 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.580 -3.207 0.642 1.00 1.27 H new ATOM 0 HG23 VAL A 79 109.812 -3.115 -1.120 1.00 1.27 H new ATOM 1115 N GLN A 80 107.617 -0.650 -2.703 1.00 1.10 N ATOM 1116 CA GLN A 80 107.325 -0.835 -4.158 1.00 1.15 C ATOM 1117 C GLN A 80 108.624 -0.937 -4.963 1.00 1.17 C ATOM 1118 O GLN A 80 108.749 -1.790 -5.820 1.00 1.25 O ATOM 1119 CB GLN A 80 106.505 0.362 -4.664 1.00 1.11 C ATOM 1120 CG GLN A 80 105.744 -0.025 -5.936 1.00 1.18 C ATOM 1121 CD GLN A 80 104.596 -0.968 -5.574 1.00 1.80 C ATOM 1122 OE1 GLN A 80 103.719 -0.612 -4.812 1.00 2.47 O ATOM 1123 NE2 GLN A 80 104.564 -2.166 -6.090 1.00 2.48 N ATOM 0 H GLN A 80 107.894 0.294 -2.434 1.00 1.10 H new ATOM 0 HA GLN A 80 106.762 -1.759 -4.288 1.00 1.15 H new ATOM 0 HB2 GLN A 80 105.804 0.684 -3.894 1.00 1.11 H new ATOM 0 HB3 GLN A 80 107.165 1.205 -4.867 1.00 1.11 H new ATOM 0 HG2 GLN A 80 105.355 0.868 -6.426 1.00 1.18 H new ATOM 0 HG3 GLN A 80 106.418 -0.509 -6.643 1.00 1.18 H new ATOM 0 HE21 GLN A 80 105.300 -2.466 -6.730 1.00 2.48 H new ATOM 0 HE22 GLN A 80 103.803 -2.803 -5.854 1.00 2.48 H new ATOM 1132 N GLU A 81 109.587 -0.066 -4.733 1.00 1.11 N ATOM 1133 CA GLU A 81 110.852 -0.135 -5.548 1.00 1.13 C ATOM 1134 C GLU A 81 112.096 0.310 -4.736 1.00 1.07 C ATOM 1135 O GLU A 81 111.983 1.142 -3.857 1.00 0.98 O ATOM 1136 CB GLU A 81 110.709 0.799 -6.762 1.00 1.11 C ATOM 1137 CG GLU A 81 109.730 0.217 -7.790 1.00 1.43 C ATOM 1138 CD GLU A 81 110.290 -1.084 -8.373 1.00 1.37 C ATOM 1139 OE1 GLU A 81 111.420 -1.065 -8.832 1.00 1.92 O ATOM 1140 OE2 GLU A 81 109.577 -2.074 -8.353 1.00 1.65 O ATOM 0 H GLU A 81 109.555 0.674 -4.032 1.00 1.11 H new ATOM 0 HA GLU A 81 110.996 -1.172 -5.852 1.00 1.13 H new ATOM 0 HB2 GLU A 81 110.358 1.777 -6.434 1.00 1.11 H new ATOM 0 HB3 GLU A 81 111.683 0.949 -7.227 1.00 1.11 H new ATOM 0 HG2 GLU A 81 108.766 0.028 -7.319 1.00 1.43 H new ATOM 0 HG3 GLU A 81 109.558 0.938 -8.589 1.00 1.43 H new ATOM 1147 N PRO A 82 113.265 -0.238 -5.082 1.00 1.14 N ATOM 1148 CA PRO A 82 114.547 0.108 -4.437 1.00 1.14 C ATOM 1149 C PRO A 82 114.664 1.571 -4.058 1.00 1.00 C ATOM 1150 O PRO A 82 113.887 2.413 -4.461 1.00 0.91 O ATOM 1151 CB PRO A 82 115.593 -0.264 -5.489 1.00 1.23 C ATOM 1152 CG PRO A 82 114.961 -1.408 -6.288 1.00 1.30 C ATOM 1153 CD PRO A 82 113.433 -1.265 -6.137 1.00 1.26 C ATOM 0 HA PRO A 82 114.663 -0.420 -3.490 1.00 1.14 H new ATOM 0 HB2 PRO A 82 115.826 0.585 -6.132 1.00 1.23 H new ATOM 0 HB3 PRO A 82 116.527 -0.577 -5.023 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.253 -1.354 -7.337 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.298 -2.374 -5.913 1.00 1.30 H new ATOM 0 HD2 PRO A 82 112.968 -0.954 -7.073 1.00 1.26 H new ATOM 0 HD3 PRO A 82 112.971 -2.210 -5.850 1.00 1.26 H new ATOM 1161 N GLY A 83 115.665 1.862 -3.279 1.00 0.99 N ATOM 1162 CA GLY A 83 115.904 3.269 -2.841 1.00 0.89 C ATOM 1163 C GLY A 83 116.352 3.284 -1.383 1.00 0.92 C ATOM 1164 O GLY A 83 116.528 2.255 -0.762 1.00 1.02 O ATOM 0 H GLY A 83 116.336 1.181 -2.922 1.00 0.99 H new ATOM 0 HA2 GLY A 83 116.664 3.732 -3.470 1.00 0.89 H new ATOM 0 HA3 GLY A 83 114.993 3.856 -2.958 1.00 0.89 H new ATOM 1168 N ASP A 84 116.526 4.454 -0.829 1.00 0.87 N ATOM 1169 CA ASP A 84 116.950 4.569 0.594 1.00 0.93 C ATOM 1170 C ASP A 84 115.718 4.862 1.439 1.00 0.83 C ATOM 1171 O ASP A 84 115.392 5.999 1.710 1.00 0.76 O ATOM 1172 CB ASP A 84 117.953 5.715 0.739 1.00 0.98 C ATOM 1173 CG ASP A 84 117.464 6.925 -0.057 1.00 1.39 C ATOM 1174 OD1 ASP A 84 117.435 6.840 -1.273 1.00 2.06 O ATOM 1175 OD2 ASP A 84 117.126 7.918 0.566 1.00 2.13 O ATOM 0 H ASP A 84 116.391 5.344 -1.308 1.00 0.87 H new ATOM 0 HA ASP A 84 117.420 3.642 0.922 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.069 5.980 1.790 1.00 0.98 H new ATOM 0 HB3 ASP A 84 118.933 5.402 0.380 1.00 0.98 H new ATOM 1180 N TYR A 85 115.028 3.843 1.853 1.00 0.84 N ATOM 1181 CA TYR A 85 113.814 4.053 2.676 1.00 0.76 C ATOM 1182 C TYR A 85 114.258 4.489 4.072 1.00 0.80 C ATOM 1183 O TYR A 85 115.119 3.885 4.676 1.00 0.92 O ATOM 1184 CB TYR A 85 113.024 2.732 2.727 1.00 0.80 C ATOM 1185 CG TYR A 85 111.900 2.754 1.711 1.00 0.73 C ATOM 1186 CD1 TYR A 85 110.719 3.451 1.989 1.00 0.64 C ATOM 1187 CD2 TYR A 85 112.045 2.076 0.495 1.00 0.78 C ATOM 1188 CE1 TYR A 85 109.682 3.471 1.050 1.00 0.61 C ATOM 1189 CE2 TYR A 85 111.010 2.094 -0.444 1.00 0.75 C ATOM 1190 CZ TYR A 85 109.827 2.792 -0.168 1.00 0.67 C ATOM 1191 OH TYR A 85 108.804 2.811 -1.094 1.00 0.68 O ATOM 0 H TYR A 85 115.255 2.868 1.655 1.00 0.84 H new ATOM 0 HA TYR A 85 113.170 4.824 2.254 1.00 0.76 H new ATOM 0 HB2 TYR A 85 113.690 1.893 2.525 1.00 0.80 H new ATOM 0 HB3 TYR A 85 112.617 2.582 3.727 1.00 0.80 H new ATOM 0 HD1 TYR A 85 110.608 3.973 2.928 1.00 0.64 H new ATOM 0 HD2 TYR A 85 112.957 1.539 0.282 1.00 0.78 H new ATOM 0 HE1 TYR A 85 108.770 4.009 1.263 1.00 0.61 H new ATOM 0 HE2 TYR A 85 111.122 1.570 -1.382 1.00 0.75 H new ATOM 0 HH TYR A 85 109.061 2.279 -1.876 1.00 0.68 H new ATOM 1201 N GLU A 86 113.677 5.545 4.576 1.00 0.73 N ATOM 1202 CA GLU A 86 114.051 6.066 5.928 1.00 0.78 C ATOM 1203 C GLU A 86 112.918 5.743 6.902 1.00 0.74 C ATOM 1204 O GLU A 86 111.769 6.030 6.638 1.00 0.68 O ATOM 1205 CB GLU A 86 114.284 7.612 5.874 1.00 0.78 C ATOM 1206 CG GLU A 86 114.119 8.155 4.441 1.00 0.72 C ATOM 1207 CD GLU A 86 115.350 7.793 3.609 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.055 6.876 3.998 1.00 1.26 O ATOM 1209 OE2 GLU A 86 115.567 8.439 2.597 1.00 1.53 O ATOM 0 H GLU A 86 112.948 6.078 4.102 1.00 0.73 H new ATOM 0 HA GLU A 86 114.977 5.595 6.259 1.00 0.78 H new ATOM 0 HB2 GLU A 86 113.578 8.111 6.538 1.00 0.78 H new ATOM 0 HB3 GLU A 86 115.284 7.844 6.240 1.00 0.78 H new ATOM 0 HG2 GLU A 86 113.223 7.736 3.984 1.00 0.72 H new ATOM 0 HG3 GLU A 86 113.989 9.237 4.464 1.00 0.72 H new ATOM 1216 N VAL A 87 113.238 5.149 8.023 1.00 0.81 N ATOM 1217 CA VAL A 87 112.190 4.797 9.029 1.00 0.78 C ATOM 1218 C VAL A 87 112.579 5.388 10.389 1.00 0.86 C ATOM 1219 O VAL A 87 113.740 5.403 10.754 1.00 0.99 O ATOM 1220 CB VAL A 87 112.095 3.270 9.121 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.286 2.704 9.904 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.792 2.877 9.820 1.00 0.83 C ATOM 0 H VAL A 87 114.189 4.890 8.287 1.00 0.81 H new ATOM 0 HA VAL A 87 111.223 5.203 8.732 1.00 0.78 H new ATOM 0 HB VAL A 87 112.110 2.858 8.112 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.202 1.619 9.959 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.214 2.971 9.398 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.290 3.120 10.912 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.727 1.791 9.884 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.775 3.301 10.824 1.00 0.83 H new ATOM 0 HG23 VAL A 87 109.944 3.258 9.251 1.00 0.83 H new ATOM 1232 N SER A 88 111.621 5.874 11.144 1.00 0.81 N ATOM 1233 CA SER A 88 111.943 6.464 12.483 1.00 0.91 C ATOM 1234 C SER A 88 110.895 6.031 13.504 1.00 0.87 C ATOM 1235 O SER A 88 109.772 6.491 13.485 1.00 0.84 O ATOM 1236 CB SER A 88 111.955 7.989 12.381 1.00 0.94 C ATOM 1237 OG SER A 88 110.623 8.475 12.473 1.00 1.59 O ATOM 0 H SER A 88 110.633 5.887 10.891 1.00 0.81 H new ATOM 0 HA SER A 88 112.924 6.113 12.803 1.00 0.91 H new ATOM 0 HB2 SER A 88 112.565 8.414 13.178 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.403 8.299 11.437 1.00 0.94 H new ATOM 0 HG SER A 88 110.038 7.764 12.807 1.00 1.59 H new ATOM 1243 N ILE A 89 111.263 5.142 14.396 1.00 0.99 N ATOM 1244 CA ILE A 89 110.303 4.651 15.435 1.00 0.98 C ATOM 1245 C ILE A 89 110.742 5.128 16.826 1.00 1.08 C ATOM 1246 O ILE A 89 111.903 5.072 17.177 1.00 1.20 O ATOM 1247 CB ILE A 89 110.266 3.114 15.385 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.476 2.526 16.140 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.298 2.661 13.921 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.659 1.041 15.793 1.00 1.29 C ATOM 0 H ILE A 89 112.196 4.732 14.449 1.00 0.99 H new ATOM 0 HA ILE A 89 109.308 5.048 15.237 1.00 0.98 H new ATOM 0 HB ILE A 89 109.353 2.759 15.862 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.378 3.080 15.880 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.331 2.639 17.214 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.272 1.572 13.876 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.433 3.066 13.396 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.212 3.022 13.448 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.517 0.644 16.335 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.763 0.488 16.076 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.826 0.936 14.721 1.00 1.29 H new ATOM 1262 N LYS A 90 109.813 5.588 17.620 1.00 1.05 N ATOM 1263 CA LYS A 90 110.145 6.060 18.989 1.00 1.16 C ATOM 1264 C LYS A 90 109.014 5.671 19.929 1.00 1.11 C ATOM 1265 O LYS A 90 107.883 6.069 19.737 1.00 1.01 O ATOM 1266 CB LYS A 90 110.240 7.582 18.990 1.00 1.22 C ATOM 1267 CG LYS A 90 108.885 8.185 18.542 1.00 1.15 C ATOM 1268 CD LYS A 90 109.113 9.482 17.745 1.00 1.34 C ATOM 1269 CE LYS A 90 109.561 9.155 16.308 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.049 9.084 16.256 1.00 1.58 N ATOM 0 H LYS A 90 108.826 5.656 17.372 1.00 1.05 H new ATOM 0 HA LYS A 90 111.089 5.617 19.305 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.498 7.940 19.987 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.035 7.908 18.319 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.344 7.464 17.929 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.265 8.391 19.414 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.195 10.069 17.722 1.00 1.34 H new ATOM 0 HD3 LYS A 90 109.869 10.092 18.239 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.130 8.207 15.988 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.198 9.919 15.620 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.387 9.527 15.378 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.449 9.587 17.074 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.350 8.089 16.280 1.00 1.58 H new ATOM 1284 N PHE A 91 109.296 4.933 20.960 1.00 1.21 N ATOM 1285 CA PHE A 91 108.203 4.573 21.909 1.00 1.18 C ATOM 1286 C PHE A 91 107.970 5.772 22.826 1.00 1.22 C ATOM 1287 O PHE A 91 108.706 6.006 23.761 1.00 1.34 O ATOM 1288 CB PHE A 91 108.589 3.338 22.730 1.00 1.29 C ATOM 1289 CG PHE A 91 107.397 2.884 23.547 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.263 2.381 22.899 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.424 2.965 24.947 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.157 1.959 23.647 1.00 1.22 C ATOM 1293 CE2 PHE A 91 106.317 2.542 25.695 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.184 2.039 25.044 1.00 1.24 C ATOM 0 H PHE A 91 110.220 4.566 21.189 1.00 1.21 H new ATOM 0 HA PHE A 91 107.292 4.332 21.362 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.917 2.536 22.069 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.426 3.572 23.387 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.241 2.318 21.821 1.00 1.19 H new ATOM 0 HD2 PHE A 91 108.298 3.353 25.449 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.282 1.572 23.146 1.00 1.22 H new ATOM 0 HE2 PHE A 91 106.338 2.604 26.773 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.331 1.713 25.620 1.00 1.24 H new ATOM 1304 N ASN A 92 106.964 6.550 22.540 1.00 1.15 N ATOM 1305 CA ASN A 92 106.680 7.756 23.368 1.00 1.23 C ATOM 1306 C ASN A 92 107.782 8.802 23.141 1.00 1.32 C ATOM 1307 O ASN A 92 108.214 9.464 24.061 1.00 1.42 O ATOM 1308 CB ASN A 92 106.616 7.369 24.857 1.00 1.32 C ATOM 1309 CG ASN A 92 105.738 8.371 25.617 1.00 1.74 C ATOM 1310 OD1 ASN A 92 105.640 9.520 25.236 1.00 2.32 O ATOM 1311 ND2 ASN A 92 105.092 7.979 26.681 1.00 2.24 N ATOM 0 H ASN A 92 106.321 6.401 21.762 1.00 1.15 H new ATOM 0 HA ASN A 92 105.718 8.178 23.075 1.00 1.23 H new ATOM 0 HB2 ASN A 92 106.211 6.363 24.964 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.620 7.355 25.282 1.00 1.32 H new ATOM 0 HD21 ASN A 92 104.505 8.638 27.193 1.00 2.24 H new ATOM 0 HD22 ASN A 92 105.174 7.014 27.001 1.00 2.24 H new ATOM 1318 N ASP A 93 108.226 8.953 21.916 1.00 1.28 N ATOM 1319 CA ASP A 93 109.289 9.956 21.597 1.00 1.37 C ATOM 1320 C ASP A 93 110.671 9.466 22.026 1.00 1.45 C ATOM 1321 O ASP A 93 111.617 10.228 22.024 1.00 1.53 O ATOM 1322 CB ASP A 93 108.996 11.297 22.274 1.00 1.46 C ATOM 1323 CG ASP A 93 107.488 11.552 22.286 1.00 1.46 C ATOM 1324 OD1 ASP A 93 106.824 11.108 21.364 1.00 1.83 O ATOM 1325 OD2 ASP A 93 107.022 12.186 23.218 1.00 1.92 O ATOM 0 H ASP A 93 107.892 8.417 21.115 1.00 1.28 H new ATOM 0 HA ASP A 93 109.286 10.089 20.515 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.381 11.292 23.294 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.506 12.102 21.744 1.00 1.46 H new ATOM 1330 N GLU A 94 110.823 8.202 22.348 1.00 1.43 N ATOM 1331 CA GLU A 94 112.185 7.699 22.719 1.00 1.53 C ATOM 1332 C GLU A 94 112.768 7.036 21.474 1.00 1.52 C ATOM 1333 O GLU A 94 112.493 5.890 21.166 1.00 1.48 O ATOM 1334 CB GLU A 94 112.116 6.723 23.908 1.00 1.56 C ATOM 1335 CG GLU A 94 111.381 5.420 23.535 1.00 1.95 C ATOM 1336 CD GLU A 94 112.385 4.303 23.208 1.00 1.88 C ATOM 1337 OE1 GLU A 94 113.511 4.623 22.865 1.00 2.25 O ATOM 1338 OE2 GLU A 94 112.007 3.148 23.312 1.00 2.24 O ATOM 0 H GLU A 94 110.076 7.507 22.370 1.00 1.43 H new ATOM 0 HA GLU A 94 112.825 8.519 23.045 1.00 1.53 H new ATOM 0 HB2 GLU A 94 113.126 6.488 24.244 1.00 1.56 H new ATOM 0 HB3 GLU A 94 111.605 7.202 24.743 1.00 1.56 H new ATOM 0 HG2 GLU A 94 110.740 5.109 24.360 1.00 1.95 H new ATOM 0 HG3 GLU A 94 110.733 5.596 22.677 1.00 1.95 H new ATOM 1345 N HIS A 95 113.538 7.786 20.729 1.00 1.59 N ATOM 1346 CA HIS A 95 114.128 7.257 19.470 1.00 1.59 C ATOM 1347 C HIS A 95 115.212 6.234 19.796 1.00 1.71 C ATOM 1348 O HIS A 95 116.294 6.571 20.234 1.00 1.86 O ATOM 1349 CB HIS A 95 114.729 8.418 18.664 1.00 1.65 C ATOM 1350 CG HIS A 95 115.375 9.410 19.596 1.00 1.94 C ATOM 1351 ND1 HIS A 95 115.787 9.316 20.904 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 115.671 10.704 19.199 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 116.330 10.531 21.311 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 116.235 11.332 20.247 1.00 2.88 N flip ATOM 0 H HIS A 95 113.784 8.752 20.944 1.00 1.59 H new ATOM 0 HA HIS A 95 113.351 6.771 18.880 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.466 8.038 17.956 1.00 1.65 H new ATOM 0 HB3 HIS A 95 113.950 8.908 18.080 1.00 1.65 H new ATOM 0 HD2 HIS A 95 115.483 11.131 18.225 1.00 2.62 H new ATOM 0 HE1 HIS A 95 116.740 10.774 22.280 1.00 2.68 H new ATOM 0 HE2 HIS A 95 116.551 12.302 20.231 1.00 2.88 H new ATOM 1362 N ILE A 96 114.930 4.985 19.576 1.00 1.67 N ATOM 1363 CA ILE A 96 115.947 3.936 19.865 1.00 1.82 C ATOM 1364 C ILE A 96 117.257 4.311 19.146 1.00 1.88 C ATOM 1365 O ILE A 96 117.201 4.941 18.107 1.00 1.77 O ATOM 1366 CB ILE A 96 115.443 2.593 19.332 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.908 2.780 17.907 1.00 1.98 C ATOM 1368 CG2 ILE A 96 114.323 2.072 20.234 1.00 2.35 C ATOM 1369 CD1 ILE A 96 114.773 1.417 17.226 1.00 2.27 C ATOM 0 H ILE A 96 114.042 4.642 19.209 1.00 1.67 H new ATOM 0 HA ILE A 96 116.119 3.861 20.939 1.00 1.82 H new ATOM 0 HB ILE A 96 116.263 1.875 19.322 1.00 1.82 H new ATOM 0 HG12 ILE A 96 113.941 3.282 17.934 1.00 1.98 H new ATOM 0 HG13 ILE A 96 115.582 3.418 17.336 1.00 1.98 H new ATOM 0 HG21 ILE A 96 113.965 1.115 19.854 1.00 2.35 H new ATOM 0 HG22 ILE A 96 114.703 1.940 21.247 1.00 2.35 H new ATOM 0 HG23 ILE A 96 113.502 2.789 20.245 1.00 2.35 H new ATOM 0 HD11 ILE A 96 114.393 1.552 16.214 1.00 2.27 H new ATOM 0 HD12 ILE A 96 115.748 0.932 17.185 1.00 2.27 H new ATOM 0 HD13 ILE A 96 114.082 0.794 17.793 1.00 2.27 H new ATOM 1381 N PRO A 97 118.402 3.918 19.690 1.00 2.08 N ATOM 1382 CA PRO A 97 119.698 4.228 19.051 1.00 2.18 C ATOM 1383 C PRO A 97 119.708 3.655 17.624 1.00 2.06 C ATOM 1384 O PRO A 97 120.312 2.639 17.347 1.00 2.32 O ATOM 1385 CB PRO A 97 120.763 3.558 19.957 1.00 2.43 C ATOM 1386 CG PRO A 97 120.001 2.790 21.076 1.00 2.48 C ATOM 1387 CD PRO A 97 118.505 3.151 20.952 1.00 2.25 C ATOM 0 HA PRO A 97 119.891 5.297 18.958 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.386 2.876 19.378 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.427 4.307 20.389 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.146 1.715 20.970 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.382 3.067 22.059 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.884 2.256 20.922 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.170 3.744 21.803 1.00 2.25 H new ATOM 1395 N ASP A 98 119.018 4.304 16.730 1.00 2.10 N ATOM 1396 CA ASP A 98 118.939 3.827 15.322 1.00 1.98 C ATOM 1397 C ASP A 98 118.115 4.827 14.525 1.00 1.76 C ATOM 1398 O ASP A 98 118.571 5.388 13.549 1.00 1.73 O ATOM 1399 CB ASP A 98 118.256 2.438 15.285 1.00 1.95 C ATOM 1400 CG ASP A 98 119.311 1.326 15.352 1.00 2.28 C ATOM 1401 OD1 ASP A 98 120.093 1.221 14.423 1.00 2.65 O ATOM 1402 OD2 ASP A 98 119.315 0.600 16.333 1.00 2.64 O ATOM 0 H ASP A 98 118.496 5.160 16.919 1.00 2.10 H new ATOM 0 HA ASP A 98 119.938 3.740 14.894 1.00 1.98 H new ATOM 0 HB2 ASP A 98 117.563 2.343 16.121 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.669 2.338 14.372 1.00 1.95 H new ATOM 1407 N SER A 99 116.892 5.029 14.912 1.00 1.67 N ATOM 1408 CA SER A 99 116.020 5.963 14.154 1.00 1.48 C ATOM 1409 C SER A 99 116.670 7.361 14.093 1.00 1.62 C ATOM 1410 O SER A 99 117.172 7.820 15.099 1.00 1.87 O ATOM 1411 CB SER A 99 114.673 6.066 14.876 1.00 1.48 C ATOM 1412 OG SER A 99 113.889 4.921 14.571 1.00 2.00 O ATOM 0 H SER A 99 116.456 4.588 15.722 1.00 1.67 H new ATOM 0 HA SER A 99 115.881 5.592 13.139 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.829 6.138 15.952 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.150 6.972 14.568 1.00 1.48 H new ATOM 0 HG SER A 99 114.180 4.168 15.126 1.00 2.00 H new ATOM 1418 N PRO A 100 116.616 8.047 12.952 1.00 1.55 N ATOM 1419 CA PRO A 100 116.026 7.582 11.662 1.00 1.33 C ATOM 1420 C PRO A 100 117.111 6.863 10.820 1.00 1.33 C ATOM 1421 O PRO A 100 118.046 7.502 10.381 1.00 1.47 O ATOM 1422 CB PRO A 100 115.639 8.902 10.959 1.00 1.43 C ATOM 1423 CG PRO A 100 116.479 10.030 11.626 1.00 1.74 C ATOM 1424 CD PRO A 100 117.124 9.429 12.895 1.00 1.79 C ATOM 0 HA PRO A 100 115.194 6.890 11.794 1.00 1.33 H new ATOM 0 HB2 PRO A 100 115.846 8.846 9.890 1.00 1.43 H new ATOM 0 HB3 PRO A 100 114.572 9.099 11.067 1.00 1.43 H new ATOM 0 HG2 PRO A 100 117.244 10.396 10.942 1.00 1.74 H new ATOM 0 HG3 PRO A 100 115.847 10.881 11.881 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.212 9.449 12.834 1.00 1.79 H new ATOM 0 HD3 PRO A 100 116.844 9.991 13.786 1.00 1.79 H new ATOM 1432 N PHE A 101 117.004 5.568 10.563 1.00 1.25 N ATOM 1433 CA PHE A 101 118.060 4.887 9.717 1.00 1.36 C ATOM 1434 C PHE A 101 117.515 4.619 8.318 1.00 1.24 C ATOM 1435 O PHE A 101 116.343 4.792 8.047 1.00 1.16 O ATOM 1436 CB PHE A 101 118.516 3.557 10.333 1.00 1.55 C ATOM 1437 CG PHE A 101 117.338 2.713 10.748 1.00 1.46 C ATOM 1438 CD1 PHE A 101 116.753 2.938 11.982 1.00 1.50 C ATOM 1439 CD2 PHE A 101 116.861 1.689 9.923 1.00 1.78 C ATOM 1440 CE1 PHE A 101 115.689 2.157 12.417 1.00 1.83 C ATOM 1441 CE2 PHE A 101 115.784 0.900 10.350 1.00 2.18 C ATOM 1442 CZ PHE A 101 115.198 1.133 11.600 1.00 2.19 C ATOM 0 H PHE A 101 116.250 4.965 10.893 1.00 1.25 H new ATOM 0 HA PHE A 101 118.918 5.558 9.669 1.00 1.36 H new ATOM 0 HB2 PHE A 101 119.123 3.009 9.612 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.149 3.753 11.199 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.128 3.730 12.614 1.00 1.50 H new ATOM 0 HD2 PHE A 101 117.320 1.507 8.962 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.242 2.340 13.383 1.00 1.83 H new ATOM 0 HE2 PHE A 101 115.406 0.112 9.715 1.00 2.18 H new ATOM 0 HZ PHE A 101 114.370 0.524 11.932 1.00 2.19 H new ATOM 1452 N VAL A 102 118.372 4.203 7.421 1.00 1.28 N ATOM 1453 CA VAL A 102 117.935 3.926 6.023 1.00 1.21 C ATOM 1454 C VAL A 102 117.625 2.435 5.854 1.00 1.23 C ATOM 1455 O VAL A 102 118.163 1.594 6.546 1.00 1.34 O ATOM 1456 CB VAL A 102 119.058 4.323 5.062 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.339 3.564 5.421 1.00 1.44 C ATOM 1458 CG2 VAL A 102 118.648 3.979 3.629 1.00 1.29 C ATOM 0 H VAL A 102 119.363 4.043 7.601 1.00 1.28 H new ATOM 0 HA VAL A 102 117.035 4.502 5.805 1.00 1.21 H new ATOM 0 HB VAL A 102 119.239 5.395 5.143 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.136 3.850 4.734 1.00 1.44 H new ATOM 0 HG12 VAL A 102 120.634 3.810 6.441 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.160 2.492 5.343 1.00 1.44 H new ATOM 0 HG21 VAL A 102 119.447 4.262 2.944 1.00 1.29 H new ATOM 0 HG22 VAL A 102 118.465 2.907 3.550 1.00 1.29 H new ATOM 0 HG23 VAL A 102 117.739 4.523 3.370 1.00 1.29 H new ATOM 1468 N VAL A 103 116.767 2.111 4.922 1.00 1.15 N ATOM 1469 CA VAL A 103 116.402 0.682 4.660 1.00 1.19 C ATOM 1470 C VAL A 103 116.573 0.419 3.149 1.00 1.19 C ATOM 1471 O VAL A 103 115.632 0.582 2.399 1.00 1.10 O ATOM 1472 CB VAL A 103 114.940 0.463 5.059 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.497 -0.944 4.650 1.00 1.18 C ATOM 1474 CG2 VAL A 103 114.804 0.617 6.577 1.00 1.14 C ATOM 0 H VAL A 103 116.295 2.786 4.320 1.00 1.15 H new ATOM 0 HA VAL A 103 117.036 0.006 5.234 1.00 1.19 H new ATOM 0 HB VAL A 103 114.313 1.198 4.555 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.456 -1.095 4.936 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.597 -1.058 3.571 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.122 -1.683 5.152 1.00 1.18 H new ATOM 0 HG21 VAL A 103 113.765 0.462 6.867 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.433 -0.120 7.075 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.117 1.619 6.871 1.00 1.14 H new ATOM 1484 N PRO A 104 117.776 0.068 2.725 1.00 1.29 N ATOM 1485 CA PRO A 104 118.055 -0.154 1.290 1.00 1.30 C ATOM 1486 C PRO A 104 117.203 -1.290 0.700 1.00 1.33 C ATOM 1487 O PRO A 104 117.369 -2.451 1.026 1.00 1.44 O ATOM 1488 CB PRO A 104 119.566 -0.492 1.224 1.00 1.42 C ATOM 1489 CG PRO A 104 120.137 -0.353 2.664 1.00 1.49 C ATOM 1490 CD PRO A 104 118.941 -0.135 3.616 1.00 1.41 C ATOM 0 HA PRO A 104 117.802 0.725 0.697 1.00 1.30 H new ATOM 0 HB2 PRO A 104 119.717 -1.504 0.847 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.081 0.183 0.540 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.693 -1.248 2.945 1.00 1.49 H new ATOM 0 HG3 PRO A 104 120.832 0.485 2.722 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.794 -0.995 4.269 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.101 0.730 4.260 1.00 1.41 H new ATOM 1498 N VAL A 105 116.319 -0.954 -0.204 1.00 1.25 N ATOM 1499 CA VAL A 105 115.478 -1.988 -0.874 1.00 1.29 C ATOM 1500 C VAL A 105 116.173 -2.332 -2.207 1.00 1.35 C ATOM 1501 O VAL A 105 116.715 -1.458 -2.868 1.00 1.31 O ATOM 1502 CB VAL A 105 114.067 -1.413 -1.070 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.217 -2.310 -1.983 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.394 -1.321 0.298 1.00 1.15 C ATOM 0 H VAL A 105 116.143 0.003 -0.509 1.00 1.25 H new ATOM 0 HA VAL A 105 115.374 -2.901 -0.287 1.00 1.29 H new ATOM 0 HB VAL A 105 114.149 -0.432 -1.539 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.225 -1.874 -2.100 1.00 1.26 H new ATOM 0 HG12 VAL A 105 113.695 -2.393 -2.959 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.127 -3.301 -1.538 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.389 -0.915 0.183 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.335 -2.315 0.742 1.00 1.15 H new ATOM 0 HG23 VAL A 105 113.977 -0.668 0.947 1.00 1.15 H new ATOM 1514 N ALA A 106 116.222 -3.605 -2.556 1.00 1.46 N ATOM 1515 CA ALA A 106 116.958 -4.058 -3.795 1.00 1.53 C ATOM 1516 C ALA A 106 116.039 -4.750 -4.830 1.00 1.59 C ATOM 1517 O ALA A 106 115.359 -5.702 -4.538 1.00 1.66 O ATOM 1518 CB ALA A 106 118.007 -5.065 -3.331 1.00 1.67 C ATOM 0 H ALA A 106 115.779 -4.358 -2.030 1.00 1.46 H new ATOM 0 HA ALA A 106 117.384 -3.184 -4.288 1.00 1.53 H new ATOM 0 HB1 ALA A 106 118.570 -5.426 -4.191 1.00 1.67 H new ATOM 0 HB2 ALA A 106 118.687 -4.584 -2.628 1.00 1.67 H new ATOM 0 HB3 ALA A 106 117.514 -5.905 -2.842 1.00 1.67 H new ATOM 1524 N SER A 107 116.047 -4.296 -6.057 1.00 1.59 N ATOM 1525 CA SER A 107 115.213 -4.949 -7.114 1.00 1.67 C ATOM 1526 C SER A 107 116.092 -5.949 -7.838 1.00 1.81 C ATOM 1527 O SER A 107 116.865 -5.601 -8.707 1.00 1.83 O ATOM 1528 CB SER A 107 114.710 -3.927 -8.134 1.00 1.60 C ATOM 1529 OG SER A 107 114.122 -4.618 -9.229 1.00 2.04 O ATOM 0 H SER A 107 116.597 -3.498 -6.375 1.00 1.59 H new ATOM 0 HA SER A 107 114.351 -5.424 -6.646 1.00 1.67 H new ATOM 0 HB2 SER A 107 113.980 -3.262 -7.672 1.00 1.60 H new ATOM 0 HB3 SER A 107 115.534 -3.304 -8.481 1.00 1.60 H new ATOM 0 HG SER A 107 113.795 -3.970 -9.887 1.00 2.04 H new ATOM 1535 N LEU A 108 115.993 -7.177 -7.460 1.00 1.98 N ATOM 1536 CA LEU A 108 116.832 -8.245 -8.085 1.00 2.16 C ATOM 1537 C LEU A 108 118.305 -8.004 -7.728 1.00 2.13 C ATOM 1538 O LEU A 108 119.115 -8.908 -7.770 1.00 2.33 O ATOM 1539 CB LEU A 108 116.658 -8.255 -9.613 1.00 2.25 C ATOM 1540 CG LEU A 108 115.172 -8.145 -9.977 1.00 2.76 C ATOM 1541 CD1 LEU A 108 114.999 -8.372 -11.480 1.00 3.20 C ATOM 1542 CD2 LEU A 108 114.373 -9.203 -9.208 1.00 3.20 C ATOM 0 H LEU A 108 115.358 -7.505 -6.732 1.00 1.98 H new ATOM 0 HA LEU A 108 116.512 -9.214 -7.701 1.00 2.16 H new ATOM 0 HB2 LEU A 108 117.211 -7.426 -10.055 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.075 -9.173 -10.028 1.00 2.25 H new ATOM 0 HG LEU A 108 114.807 -7.153 -9.712 1.00 2.76 H new ATOM 0 HD11 LEU A 108 113.943 -8.294 -11.741 1.00 3.20 H new ATOM 0 HD12 LEU A 108 115.565 -7.619 -12.029 1.00 3.20 H new ATOM 0 HD13 LEU A 108 115.365 -9.364 -11.743 1.00 3.20 H new ATOM 0 HD21 LEU A 108 113.318 -9.122 -9.469 1.00 3.20 H new ATOM 0 HD22 LEU A 108 114.737 -10.196 -9.471 1.00 3.20 H new ATOM 0 HD23 LEU A 108 114.495 -9.044 -8.137 1.00 3.20 H new ATOM 1554 N SER A 109 118.657 -6.797 -7.360 1.00 1.93 N ATOM 1555 CA SER A 109 120.069 -6.518 -6.983 1.00 1.92 C ATOM 1556 C SER A 109 120.365 -7.188 -5.645 1.00 2.00 C ATOM 1557 O SER A 109 121.485 -7.569 -5.369 1.00 2.09 O ATOM 1558 CB SER A 109 120.296 -5.010 -6.894 1.00 1.77 C ATOM 1559 OG SER A 109 121.693 -4.762 -6.824 1.00 2.06 O ATOM 0 H SER A 109 118.026 -5.997 -7.306 1.00 1.93 H new ATOM 0 HA SER A 109 120.743 -6.918 -7.741 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.867 -4.512 -7.763 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.796 -4.604 -6.015 1.00 1.77 H new ATOM 0 HG SER A 109 121.851 -3.797 -6.768 1.00 2.06 H new ATOM 1565 N ASP A 110 119.374 -7.342 -4.806 1.00 1.99 N ATOM 1566 CA ASP A 110 119.624 -7.996 -3.490 1.00 2.10 C ATOM 1567 C ASP A 110 120.757 -7.247 -2.804 1.00 2.06 C ATOM 1568 O ASP A 110 121.334 -7.701 -1.836 1.00 2.19 O ATOM 1569 CB ASP A 110 120.030 -9.456 -3.712 1.00 2.32 C ATOM 1570 CG ASP A 110 119.086 -10.099 -4.729 1.00 2.37 C ATOM 1571 OD1 ASP A 110 117.958 -10.385 -4.364 1.00 2.61 O ATOM 1572 OD2 ASP A 110 119.508 -10.294 -5.857 1.00 2.85 O ATOM 0 H ASP A 110 118.412 -7.046 -4.973 1.00 1.99 H new ATOM 0 HA ASP A 110 118.725 -7.972 -2.874 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.058 -9.508 -4.070 1.00 2.32 H new ATOM 0 HB3 ASP A 110 119.993 -10.002 -2.769 1.00 2.32 H new ATOM 1836 N ARG B 8 111.955 12.201 -1.859 1.00 0.48 N ATOM 1837 CA ARG B 8 111.269 10.977 -2.358 1.00 0.50 C ATOM 1838 C ARG B 8 109.841 10.976 -1.821 1.00 0.48 C ATOM 1839 O ARG B 8 109.498 11.766 -0.964 1.00 0.96 O ATOM 1840 CB ARG B 8 112.014 9.736 -1.849 1.00 0.67 C ATOM 1841 CG ARG B 8 113.523 9.973 -1.981 1.00 0.80 C ATOM 1842 CD ARG B 8 114.305 8.655 -1.792 1.00 1.18 C ATOM 1843 NE ARG B 8 115.511 8.900 -0.937 1.00 1.76 N ATOM 1844 CZ ARG B 8 116.309 9.915 -1.159 1.00 2.26 C ATOM 1845 NH1 ARG B 8 116.136 10.681 -2.201 1.00 3.04 N ATOM 1846 NH2 ARG B 8 117.306 10.145 -0.348 1.00 2.64 N ATOM 0 HA ARG B 8 111.258 10.964 -3.448 1.00 0.50 H new ATOM 0 HB2 ARG B 8 111.753 9.540 -0.809 1.00 0.67 H new ATOM 0 HB3 ARG B 8 111.719 8.858 -2.423 1.00 0.67 H new ATOM 0 HG2 ARG B 8 113.745 10.395 -2.961 1.00 0.80 H new ATOM 0 HG3 ARG B 8 113.847 10.703 -1.239 1.00 0.80 H new ATOM 0 HD2 ARG B 8 113.665 7.905 -1.328 1.00 1.18 H new ATOM 0 HD3 ARG B 8 114.609 8.259 -2.761 1.00 1.18 H new ATOM 0 HE ARG B 8 115.715 8.264 -0.166 1.00 1.76 H new ATOM 0 HH11 ARG B 8 115.374 10.492 -2.852 1.00 3.04 H new ATOM 0 HH12 ARG B 8 116.763 11.469 -2.365 1.00 3.04 H new ATOM 0 HH21 ARG B 8 117.461 9.535 0.455 1.00 2.64 H new ATOM 0 HH22 ARG B 8 117.930 10.934 -0.517 1.00 2.64 H new ATOM 1860 N VAL B 9 109.006 10.094 -2.293 1.00 0.42 N ATOM 1861 CA VAL B 9 107.612 10.060 -1.771 1.00 0.36 C ATOM 1862 C VAL B 9 107.686 10.022 -0.240 1.00 0.28 C ATOM 1863 O VAL B 9 108.703 9.667 0.321 1.00 0.38 O ATOM 1864 CB VAL B 9 106.901 8.816 -2.317 1.00 0.45 C ATOM 1865 CG1 VAL B 9 105.633 8.529 -1.507 1.00 0.67 C ATOM 1866 CG2 VAL B 9 106.520 9.051 -3.781 1.00 0.66 C ATOM 0 H VAL B 9 109.225 9.402 -3.010 1.00 0.42 H new ATOM 0 HA VAL B 9 107.049 10.939 -2.086 1.00 0.36 H new ATOM 0 HB VAL B 9 107.574 7.962 -2.239 1.00 0.45 H new ATOM 0 HG11 VAL B 9 105.139 7.643 -1.906 1.00 0.67 H new ATOM 0 HG12 VAL B 9 105.899 8.357 -0.464 1.00 0.67 H new ATOM 0 HG13 VAL B 9 104.958 9.382 -1.574 1.00 0.67 H new ATOM 0 HG21 VAL B 9 106.014 8.168 -4.172 1.00 0.66 H new ATOM 0 HG22 VAL B 9 105.854 9.911 -3.850 1.00 0.66 H new ATOM 0 HG23 VAL B 9 107.420 9.242 -4.365 1.00 0.66 H new ATOM 1876 N ALA B 10 106.636 10.408 0.439 1.00 0.27 N ATOM 1877 CA ALA B 10 106.668 10.420 1.940 1.00 0.35 C ATOM 1878 C ALA B 10 105.459 9.681 2.508 1.00 0.26 C ATOM 1879 O ALA B 10 104.391 9.664 1.928 1.00 0.40 O ATOM 1880 CB ALA B 10 106.643 11.870 2.429 1.00 0.58 C ATOM 0 H ALA B 10 105.757 10.716 0.023 1.00 0.27 H new ATOM 0 HA ALA B 10 107.577 9.921 2.277 1.00 0.35 H new ATOM 0 HB1 ALA B 10 106.666 11.887 3.519 1.00 0.58 H new ATOM 0 HB2 ALA B 10 107.512 12.400 2.039 1.00 0.58 H new ATOM 0 HB3 ALA B 10 105.733 12.357 2.078 1.00 0.58 H new ATOM 1886 N SER B 11 105.629 9.077 3.654 1.00 0.23 N ATOM 1887 CA SER B 11 104.506 8.334 4.303 1.00 0.22 C ATOM 1888 C SER B 11 104.541 8.606 5.809 1.00 0.23 C ATOM 1889 O SER B 11 105.595 8.776 6.392 1.00 0.30 O ATOM 1890 CB SER B 11 104.671 6.836 4.047 1.00 0.36 C ATOM 1891 OG SER B 11 103.927 6.112 5.017 1.00 1.19 O ATOM 0 H SER B 11 106.506 9.066 4.174 1.00 0.23 H new ATOM 0 HA SER B 11 103.553 8.664 3.890 1.00 0.22 H new ATOM 0 HB2 SER B 11 104.324 6.586 3.044 1.00 0.36 H new ATOM 0 HB3 SER B 11 105.724 6.560 4.098 1.00 0.36 H new ATOM 0 HG SER B 11 104.028 5.151 4.856 1.00 1.19 H new ATOM 1897 N SER B 12 103.401 8.658 6.447 1.00 0.27 N ATOM 1898 CA SER B 12 103.381 8.930 7.917 1.00 0.35 C ATOM 1899 C SER B 12 102.210 8.194 8.567 1.00 0.31 C ATOM 1900 O SER B 12 101.064 8.390 8.215 1.00 0.41 O ATOM 1901 CB SER B 12 103.226 10.433 8.152 1.00 0.52 C ATOM 1902 OG SER B 12 104.286 11.121 7.501 1.00 1.38 O ATOM 0 H SER B 12 102.486 8.525 6.017 1.00 0.27 H new ATOM 0 HA SER B 12 104.314 8.581 8.359 1.00 0.35 H new ATOM 0 HB2 SER B 12 102.265 10.776 7.769 1.00 0.52 H new ATOM 0 HB3 SER B 12 103.238 10.649 9.220 1.00 0.52 H new ATOM 0 HG SER B 12 104.189 12.085 7.648 1.00 1.38 H new ATOM 1908 N VAL B 13 102.496 7.351 9.519 1.00 0.27 N ATOM 1909 CA VAL B 13 101.415 6.597 10.208 1.00 0.27 C ATOM 1910 C VAL B 13 102.004 5.891 11.425 1.00 0.32 C ATOM 1911 O VAL B 13 103.213 5.855 11.609 1.00 0.41 O ATOM 1912 CB VAL B 13 100.825 5.565 9.249 1.00 0.32 C ATOM 1913 CG1 VAL B 13 101.939 4.651 8.740 1.00 0.42 C ATOM 1914 CG2 VAL B 13 99.757 4.728 9.967 1.00 0.41 C ATOM 0 H VAL B 13 103.440 7.151 9.851 1.00 0.27 H new ATOM 0 HA VAL B 13 100.628 7.281 10.526 1.00 0.27 H new ATOM 0 HB VAL B 13 100.362 6.081 8.408 1.00 0.32 H new ATOM 0 HG11 VAL B 13 101.520 3.914 8.055 1.00 0.42 H new ATOM 0 HG12 VAL B 13 102.688 5.246 8.218 1.00 0.42 H new ATOM 0 HG13 VAL B 13 102.404 4.140 9.583 1.00 0.42 H new ATOM 0 HG21 VAL B 13 99.343 3.995 9.274 1.00 0.41 H new ATOM 0 HG22 VAL B 13 100.208 4.212 10.814 1.00 0.41 H new ATOM 0 HG23 VAL B 13 98.961 5.382 10.323 1.00 0.41 H new ATOM 1924 N PHE B 14 101.169 5.333 12.262 1.00 0.36 N ATOM 1925 CA PHE B 14 101.702 4.636 13.464 1.00 0.45 C ATOM 1926 C PHE B 14 100.594 3.974 14.283 1.00 0.34 C ATOM 1927 O PHE B 14 99.486 3.777 13.826 1.00 0.35 O ATOM 1928 CB PHE B 14 102.411 5.636 14.363 1.00 0.59 C ATOM 1929 CG PHE B 14 101.427 6.616 14.969 1.00 0.71 C ATOM 1930 CD1 PHE B 14 100.783 7.558 14.157 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.170 6.591 16.346 1.00 1.40 C ATOM 1932 CE1 PHE B 14 99.885 8.469 14.720 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.273 7.504 16.909 1.00 1.79 C ATOM 1934 CZ PHE B 14 99.629 8.443 16.097 1.00 1.54 C ATOM 0 H PHE B 14 100.154 5.330 12.166 1.00 0.36 H new ATOM 0 HA PHE B 14 102.387 3.866 13.109 1.00 0.45 H new ATOM 0 HB2 PHE B 14 102.938 5.107 15.157 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.162 6.178 13.788 1.00 0.59 H new ATOM 0 HD1 PHE B 14 100.980 7.580 13.095 1.00 0.70 H new ATOM 0 HD2 PHE B 14 101.666 5.865 16.974 1.00 1.40 H new ATOM 0 HE1 PHE B 14 99.388 9.194 14.093 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.077 7.484 17.971 1.00 1.79 H new ATOM 0 HZ PHE B 14 98.935 9.147 16.531 1.00 1.54 H new ATOM 1944 N ILE B 15 100.912 3.633 15.513 1.00 0.34 N ATOM 1945 CA ILE B 15 99.919 2.984 16.413 1.00 0.33 C ATOM 1946 C ILE B 15 100.206 3.427 17.857 1.00 0.31 C ATOM 1947 O ILE B 15 101.286 3.892 18.166 1.00 0.58 O ATOM 1948 CB ILE B 15 100.060 1.460 16.298 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.535 1.102 16.088 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.241 0.947 15.109 1.00 0.83 C ATOM 1951 CD1 ILE B 15 101.743 -0.392 16.347 1.00 1.25 C ATOM 0 H ILE B 15 101.831 3.782 15.930 1.00 0.34 H new ATOM 0 HA ILE B 15 98.905 3.272 16.134 1.00 0.33 H new ATOM 0 HB ILE B 15 99.693 0.996 17.214 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.839 1.351 15.071 1.00 0.62 H new ATOM 0 HG13 ILE B 15 102.161 1.689 16.760 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.347 -0.135 15.034 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.191 1.200 15.254 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.602 1.411 14.191 1.00 0.83 H new ATOM 0 HD11 ILE B 15 102.793 -0.645 16.197 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.456 -0.627 17.372 1.00 1.25 H new ATOM 0 HD13 ILE B 15 101.129 -0.970 15.657 1.00 1.25 H new ATOM 1963 N THR B 16 99.246 3.288 18.741 1.00 0.35 N ATOM 1964 CA THR B 16 99.454 3.705 20.168 1.00 0.47 C ATOM 1965 C THR B 16 99.005 2.584 21.109 1.00 0.31 C ATOM 1966 O THR B 16 98.018 1.917 20.870 1.00 0.35 O ATOM 1967 CB THR B 16 98.624 4.963 20.447 1.00 0.75 C ATOM 1968 OG1 THR B 16 98.855 5.917 19.420 1.00 1.61 O ATOM 1969 CG2 THR B 16 99.026 5.559 21.798 1.00 1.40 C ATOM 0 H THR B 16 98.324 2.903 18.536 1.00 0.35 H new ATOM 0 HA THR B 16 100.511 3.911 20.335 1.00 0.47 H new ATOM 0 HB THR B 16 97.566 4.700 20.471 1.00 0.75 H new ATOM 0 HG1 THR B 16 98.324 6.722 19.596 1.00 1.61 H new ATOM 0 HG21 THR B 16 98.433 6.453 21.992 1.00 1.40 H new ATOM 0 HG22 THR B 16 98.848 4.827 22.586 1.00 1.40 H new ATOM 0 HG23 THR B 16 100.084 5.822 21.780 1.00 1.40 H new ATOM 1977 N LEU B 17 99.726 2.377 22.185 1.00 0.39 N ATOM 1978 CA LEU B 17 99.351 1.304 23.160 1.00 0.44 C ATOM 1979 C LEU B 17 98.626 1.933 24.353 1.00 0.31 C ATOM 1980 O LEU B 17 99.114 2.861 24.971 1.00 0.54 O ATOM 1981 CB LEU B 17 100.615 0.592 23.653 1.00 0.72 C ATOM 1982 CG LEU B 17 101.522 0.248 22.465 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.663 -0.658 22.942 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.711 -0.481 21.386 1.00 1.32 C ATOM 0 H LEU B 17 100.562 2.908 22.431 1.00 0.39 H new ATOM 0 HA LEU B 17 98.696 0.583 22.671 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.150 1.230 24.357 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.344 -0.317 24.189 1.00 0.72 H new ATOM 0 HG LEU B 17 101.932 1.167 22.047 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.309 -0.904 22.099 1.00 1.06 H new ATOM 0 HD12 LEU B 17 103.244 -0.140 23.705 1.00 1.06 H new ATOM 0 HD13 LEU B 17 102.249 -1.575 23.361 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.360 -0.723 20.544 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.297 -1.400 21.801 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.899 0.161 21.045 1.00 1.32 H new