USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 550 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 Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0755 K(o=-0.076,f=-0.98) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -25:sc= 1.09 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= -0.0276 (180deg=-0.05) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 133:sc= 0.809 USER MOD Single : A 99 GLN : amide:sc= -0.886 K(o=-0.89,f=-4.1!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 2.687 -17.308 8.848 1.00 24.35 N ATOM 190 CA LYS A 14 1.336 -16.812 8.552 1.00 44.40 C ATOM 191 C LYS A 14 1.208 -15.904 7.331 1.00 61.11 C ATOM 192 O LYS A 14 0.112 -15.755 6.805 1.00 52.23 O ATOM 193 CB LYS A 14 0.738 -16.082 9.772 1.00 3.21 C ATOM 194 CG LYS A 14 -0.734 -16.491 9.969 1.00 15.35 C ATOM 195 CD LYS A 14 -0.747 -17.848 10.678 1.00 62.13 C ATOM 196 CE LYS A 14 -2.033 -18.664 10.646 1.00 35.15 C ATOM 197 NZ LYS A 14 -1.831 -19.908 11.421 1.00 71.22 N ATOM 0 HA LYS A 14 0.780 -17.718 8.313 1.00 44.40 H new ATOM 0 HB2 LYS A 14 1.313 -16.323 10.666 1.00 3.21 H new ATOM 0 HB3 LYS A 14 0.807 -15.004 9.629 1.00 3.21 H new ATOM 0 HG2 LYS A 14 -1.263 -15.744 10.562 1.00 15.35 H new ATOM 0 HG3 LYS A 14 -1.245 -16.556 9.008 1.00 15.35 H new ATOM 0 HD2 LYS A 14 0.045 -18.458 10.244 1.00 62.13 H new ATOM 0 HD3 LYS A 14 -0.485 -17.681 11.723 1.00 62.13 H new ATOM 0 HE2 LYS A 14 -2.856 -18.087 11.067 1.00 35.15 H new ATOM 0 HE3 LYS A 14 -2.304 -18.901 9.617 1.00 35.15 H new ATOM 0 HZ1 LYS A 14 -2.704 -20.473 11.405 1.00 71.22 H new ATOM 0 HZ2 LYS A 14 -1.056 -20.458 10.999 1.00 71.22 H new ATOM 0 HZ3 LYS A 14 -1.591 -19.669 12.404 1.00 71.22 H new ATOM 207 N PHE A 15 2.293 -15.265 6.917 1.00 63.22 N ATOM 208 CA PHE A 15 2.318 -14.309 5.829 1.00 32.53 C ATOM 209 C PHE A 15 3.091 -14.903 4.638 1.00 34.45 C ATOM 210 O PHE A 15 2.768 -14.629 3.486 1.00 55.24 O ATOM 211 CB PHE A 15 2.886 -12.994 6.390 1.00 1.41 C ATOM 212 CG PHE A 15 2.130 -12.468 7.609 1.00 41.41 C ATOM 213 CD1 PHE A 15 0.965 -11.694 7.449 1.00 22.45 C ATOM 214 CD2 PHE A 15 2.570 -12.769 8.913 1.00 52.11 C ATOM 215 CE1 PHE A 15 0.270 -11.198 8.566 1.00 42.33 C ATOM 216 CE2 PHE A 15 1.882 -12.274 10.035 1.00 73.21 C ATOM 217 CZ PHE A 15 0.734 -11.483 9.863 1.00 60.12 C ATOM 0 H PHE A 15 3.208 -15.405 7.346 1.00 63.22 H new ATOM 0 HA PHE A 15 1.327 -14.087 5.432 1.00 32.53 H new ATOM 0 HB2 PHE A 15 3.931 -13.146 6.660 1.00 1.41 H new ATOM 0 HB3 PHE A 15 2.866 -12.236 5.607 1.00 1.41 H new ATOM 0 HD1 PHE A 15 0.600 -11.478 6.455 1.00 22.45 H new ATOM 0 HD2 PHE A 15 3.445 -13.386 9.052 1.00 52.11 H new ATOM 0 HE1 PHE A 15 -0.618 -10.599 8.429 1.00 42.33 H new ATOM 0 HE2 PHE A 15 2.236 -12.502 11.029 1.00 73.21 H new ATOM 0 HZ PHE A 15 0.209 -11.095 10.724 1.00 60.12 H new ATOM 226 N ALA A 16 4.045 -15.808 4.871 1.00 75.51 N ATOM 227 CA ALA A 16 4.708 -16.597 3.835 1.00 41.20 C ATOM 228 C ALA A 16 3.728 -17.542 3.123 1.00 54.10 C ATOM 229 O ALA A 16 3.909 -17.851 1.942 1.00 62.33 O ATOM 230 CB ALA A 16 5.846 -17.390 4.479 1.00 42.40 C ATOM 0 H ALA A 16 4.385 -16.016 5.810 1.00 75.51 H new ATOM 0 HA ALA A 16 5.103 -15.921 3.076 1.00 41.20 H new ATOM 0 HB1 ALA A 16 6.351 -17.985 3.718 1.00 42.40 H new ATOM 0 HB2 ALA A 16 6.558 -16.701 4.933 1.00 42.40 H new ATOM 0 HB3 ALA A 16 5.441 -18.050 5.246 1.00 42.40 H new ATOM 236 N HIS A 17 2.675 -17.974 3.822 1.00 33.21 N ATOM 237 CA HIS A 17 1.542 -18.703 3.261 1.00 22.53 C ATOM 238 C HIS A 17 0.663 -17.839 2.340 1.00 23.42 C ATOM 239 O HIS A 17 -0.234 -18.382 1.696 1.00 43.04 O ATOM 240 CB HIS A 17 0.716 -19.311 4.403 1.00 64.21 C ATOM 241 CG HIS A 17 1.216 -20.668 4.831 1.00 64.12 C ATOM 242 ND1 HIS A 17 0.729 -21.866 4.379 1.00 33.45 N ATOM 243 CD2 HIS A 17 2.254 -20.950 5.673 1.00 32.21 C ATOM 244 CE1 HIS A 17 1.443 -22.839 4.963 1.00 4.21 C ATOM 245 NE2 HIS A 17 2.381 -22.333 5.778 1.00 55.11 N ATOM 0 H HIS A 17 2.588 -17.819 4.826 1.00 33.21 H new ATOM 0 HA HIS A 17 1.940 -19.497 2.629 1.00 22.53 H new ATOM 0 HB2 HIS A 17 0.736 -18.636 5.258 1.00 64.21 H new ATOM 0 HB3 HIS A 17 -0.324 -19.395 4.087 1.00 64.21 H new ATOM 0 HD2 HIS A 17 2.874 -20.221 6.174 1.00 32.21 H new ATOM 0 HE1 HIS A 17 1.284 -23.894 4.799 1.00 4.21 H new ATOM 0 HE2 HIS A 17 3.046 -22.851 6.352 1.00 55.11 H new ATOM 252 N ASP A 18 0.947 -16.537 2.218 1.00 63.23 N ATOM 253 CA ASP A 18 0.191 -15.542 1.458 1.00 61.22 C ATOM 254 C ASP A 18 -1.134 -15.243 2.160 1.00 15.15 C ATOM 255 O ASP A 18 -1.166 -15.281 3.391 1.00 61.51 O ATOM 256 CB ASP A 18 0.104 -15.840 -0.053 1.00 33.52 C ATOM 257 CG ASP A 18 1.445 -16.158 -0.704 1.00 22.34 C ATOM 258 OD1 ASP A 18 2.469 -15.509 -0.393 1.00 21.23 O ATOM 259 OD2 ASP A 18 1.494 -17.077 -1.552 1.00 75.34 O ATOM 0 H ASP A 18 1.761 -16.128 2.676 1.00 63.23 H new ATOM 0 HA ASP A 18 0.751 -14.607 1.459 1.00 61.22 H new ATOM 0 HB2 ASP A 18 -0.571 -16.681 -0.208 1.00 33.52 H new ATOM 0 HB3 ASP A 18 -0.337 -14.980 -0.557 1.00 33.52 H new ATOM 263 N ALA A 19 -2.162 -14.801 1.424 1.00 73.44 N ATOM 264 CA ALA A 19 -3.518 -14.430 1.842 1.00 52.04 C ATOM 265 C ALA A 19 -3.580 -13.389 2.963 1.00 53.12 C ATOM 266 O ALA A 19 -3.971 -12.246 2.717 1.00 34.34 O ATOM 267 CB ALA A 19 -4.352 -15.673 2.174 1.00 53.02 C ATOM 0 H ALA A 19 -2.051 -14.683 0.417 1.00 73.44 H new ATOM 0 HA ALA A 19 -3.960 -13.931 0.979 1.00 52.04 H new ATOM 0 HB1 ALA A 19 -5.353 -15.368 2.481 1.00 53.02 H new ATOM 0 HB2 ALA A 19 -4.421 -16.311 1.293 1.00 53.02 H new ATOM 0 HB3 ALA A 19 -3.876 -16.225 2.985 1.00 53.02 H new ATOM 273 N GLU A 20 -3.218 -13.755 4.191 1.00 73.31 N ATOM 274 CA GLU A 20 -3.138 -12.838 5.322 1.00 23.44 C ATOM 275 C GLU A 20 -2.106 -11.749 5.005 1.00 43.21 C ATOM 276 O GLU A 20 -2.355 -10.568 5.267 1.00 71.34 O ATOM 277 CB GLU A 20 -2.767 -13.585 6.614 1.00 11.35 C ATOM 278 CG GLU A 20 -3.958 -14.263 7.312 1.00 20.22 C ATOM 279 CD GLU A 20 -4.458 -15.543 6.631 1.00 42.40 C ATOM 280 OE1 GLU A 20 -3.814 -16.603 6.752 1.00 73.13 O ATOM 281 OE2 GLU A 20 -5.571 -15.542 6.053 1.00 45.21 O ATOM 0 H GLU A 20 -2.968 -14.715 4.430 1.00 73.31 H new ATOM 0 HA GLU A 20 -4.113 -12.379 5.483 1.00 23.44 H new ATOM 0 HB2 GLU A 20 -2.018 -14.341 6.381 1.00 11.35 H new ATOM 0 HB3 GLU A 20 -2.305 -12.882 7.308 1.00 11.35 H new ATOM 0 HG2 GLU A 20 -3.673 -14.501 8.337 1.00 20.22 H new ATOM 0 HG3 GLU A 20 -4.782 -13.552 7.367 1.00 20.22 H new ATOM 286 N LEU A 21 -0.992 -12.124 4.360 1.00 0.33 N ATOM 287 CA LEU A 21 -0.018 -11.182 3.814 1.00 40.30 C ATOM 288 C LEU A 21 -0.679 -10.251 2.839 1.00 72.42 C ATOM 289 O LEU A 21 -0.545 -9.039 2.959 1.00 64.30 O ATOM 290 CB LEU A 21 1.112 -11.930 3.094 1.00 20.51 C ATOM 291 CG LEU A 21 2.139 -11.038 2.359 1.00 1.14 C ATOM 292 CD1 LEU A 21 3.157 -10.442 3.332 1.00 33.23 C ATOM 293 CD2 LEU A 21 2.856 -11.852 1.282 1.00 44.20 C ATOM 0 H LEU A 21 -0.744 -13.101 4.204 1.00 0.33 H new ATOM 0 HA LEU A 21 0.395 -10.611 4.645 1.00 40.30 H new ATOM 0 HB2 LEU A 21 1.644 -12.540 3.825 1.00 20.51 H new ATOM 0 HB3 LEU A 21 0.668 -12.614 2.371 1.00 20.51 H new ATOM 0 HG LEU A 21 1.600 -10.213 1.893 1.00 1.14 H new ATOM 0 HD11 LEU A 21 3.864 -9.820 2.783 1.00 33.23 H new ATOM 0 HD12 LEU A 21 2.639 -9.834 4.073 1.00 33.23 H new ATOM 0 HD13 LEU A 21 3.695 -11.246 3.834 1.00 33.23 H new ATOM 0 HD21 LEU A 21 3.578 -11.218 0.767 1.00 44.20 H new ATOM 0 HD22 LEU A 21 3.375 -12.691 1.745 1.00 44.20 H new ATOM 0 HD23 LEU A 21 2.127 -12.228 0.564 1.00 44.20 H new ATOM 304 N ASN A 22 -1.360 -10.827 1.855 1.00 54.41 N ATOM 305 CA ASN A 22 -1.882 -10.070 0.737 1.00 14.22 C ATOM 306 C ASN A 22 -2.849 -9.007 1.234 1.00 24.34 C ATOM 307 O ASN A 22 -2.844 -7.907 0.699 1.00 31.34 O ATOM 308 CB ASN A 22 -2.525 -10.999 -0.292 1.00 42.14 C ATOM 309 CG ASN A 22 -1.509 -11.919 -0.958 1.00 22.14 C ATOM 310 OD1 ASN A 22 -0.307 -11.650 -0.974 1.00 54.21 O ATOM 311 ND2 ASN A 22 -1.958 -13.043 -1.475 1.00 45.41 N ATOM 0 H ASN A 22 -1.562 -11.826 1.815 1.00 54.41 H new ATOM 0 HA ASN A 22 -1.060 -9.560 0.234 1.00 14.22 H new ATOM 0 HB2 ASN A 22 -3.292 -11.601 0.195 1.00 42.14 H new ATOM 0 HB3 ASN A 22 -3.025 -10.402 -1.054 1.00 42.14 H new ATOM 0 HD21 ASN A 22 -1.308 -13.706 -1.897 1.00 45.41 H new ATOM 0 HD22 ASN A 22 -2.956 -13.251 -1.454 1.00 45.41 H new ATOM 317 N PHE A 23 -3.583 -9.283 2.314 1.00 20.51 N ATOM 318 CA PHE A 23 -4.512 -8.337 2.924 1.00 34.24 C ATOM 319 C PHE A 23 -3.750 -7.130 3.458 1.00 52.12 C ATOM 320 O PHE A 23 -4.020 -5.990 3.081 1.00 72.10 O ATOM 321 CB PHE A 23 -5.282 -9.027 4.059 1.00 1.25 C ATOM 322 CG PHE A 23 -6.764 -9.211 3.833 1.00 12.01 C ATOM 323 CD1 PHE A 23 -7.245 -9.666 2.591 1.00 12.23 C ATOM 324 CD2 PHE A 23 -7.667 -8.957 4.884 1.00 71.21 C ATOM 325 CE1 PHE A 23 -8.622 -9.858 2.401 1.00 65.31 C ATOM 326 CE2 PHE A 23 -9.042 -9.158 4.691 1.00 51.02 C ATOM 327 CZ PHE A 23 -9.518 -9.614 3.453 1.00 34.25 C ATOM 0 H PHE A 23 -3.546 -10.182 2.794 1.00 20.51 H new ATOM 0 HA PHE A 23 -5.223 -7.995 2.172 1.00 34.24 H new ATOM 0 HB2 PHE A 23 -4.836 -10.006 4.232 1.00 1.25 H new ATOM 0 HB3 PHE A 23 -5.142 -8.448 4.972 1.00 1.25 H new ATOM 0 HD1 PHE A 23 -6.555 -9.867 1.785 1.00 12.23 H new ATOM 0 HD2 PHE A 23 -7.301 -8.608 5.838 1.00 71.21 H new ATOM 0 HE1 PHE A 23 -8.993 -10.194 1.444 1.00 65.31 H new ATOM 0 HE2 PHE A 23 -9.734 -8.961 5.496 1.00 51.02 H new ATOM 0 HZ PHE A 23 -10.576 -9.778 3.309 1.00 34.25 H new ATOM 336 N LYS A 24 -2.790 -7.364 4.361 1.00 1.42 N ATOM 337 CA LYS A 24 -1.978 -6.286 4.903 1.00 51.32 C ATOM 338 C LYS A 24 -1.311 -5.519 3.761 1.00 61.21 C ATOM 339 O LYS A 24 -1.379 -4.289 3.725 1.00 40.34 O ATOM 340 CB LYS A 24 -0.914 -6.854 5.840 1.00 12.45 C ATOM 341 CG LYS A 24 -1.413 -7.536 7.122 1.00 0.23 C ATOM 342 CD LYS A 24 -1.368 -6.554 8.298 1.00 60.30 C ATOM 343 CE LYS A 24 -1.527 -7.301 9.617 1.00 44.11 C ATOM 344 NZ LYS A 24 -1.478 -6.367 10.760 1.00 12.02 N ATOM 0 H LYS A 24 -2.563 -8.289 4.726 1.00 1.42 H new ATOM 0 HA LYS A 24 -2.617 -5.606 5.466 1.00 51.32 H new ATOM 0 HB2 LYS A 24 -0.319 -7.576 5.281 1.00 12.45 H new ATOM 0 HB3 LYS A 24 -0.245 -6.043 6.125 1.00 12.45 H new ATOM 0 HG2 LYS A 24 -2.432 -7.895 6.978 1.00 0.23 H new ATOM 0 HG3 LYS A 24 -0.796 -8.407 7.343 1.00 0.23 H new ATOM 0 HD2 LYS A 24 -0.423 -6.011 8.291 1.00 60.30 H new ATOM 0 HD3 LYS A 24 -2.161 -5.814 8.193 1.00 60.30 H new ATOM 0 HE2 LYS A 24 -2.475 -7.840 9.623 1.00 44.11 H new ATOM 0 HE3 LYS A 24 -0.737 -8.045 9.716 1.00 44.11 H new ATOM 0 HZ1 LYS A 24 -1.588 -6.898 11.647 1.00 12.02 H new ATOM 0 HZ2 LYS A 24 -0.564 -5.872 10.764 1.00 12.02 H new ATOM 0 HZ3 LYS A 24 -2.248 -5.673 10.674 1.00 12.02 H new ATOM 354 N ALA A 25 -0.677 -6.253 2.841 1.00 13.23 N ATOM 355 CA ALA A 25 0.124 -5.729 1.751 1.00 22.12 C ATOM 356 C ALA A 25 -0.716 -4.793 0.883 1.00 75.22 C ATOM 357 O ALA A 25 -0.293 -3.669 0.639 1.00 63.50 O ATOM 358 CB ALA A 25 0.725 -6.881 0.937 1.00 20.21 C ATOM 0 H ALA A 25 -0.715 -7.272 2.844 1.00 13.23 H new ATOM 0 HA ALA A 25 0.951 -5.146 2.156 1.00 22.12 H new ATOM 0 HB1 ALA A 25 1.324 -6.476 0.121 1.00 20.21 H new ATOM 0 HB2 ALA A 25 1.356 -7.492 1.582 1.00 20.21 H new ATOM 0 HB3 ALA A 25 -0.077 -7.495 0.528 1.00 20.21 H new ATOM 364 N GLU A 26 -1.902 -5.230 0.456 1.00 53.22 N ATOM 365 CA GLU A 26 -2.872 -4.488 -0.348 1.00 0.13 C ATOM 366 C GLU A 26 -3.148 -3.112 0.271 1.00 64.30 C ATOM 367 O GLU A 26 -3.009 -2.073 -0.380 1.00 32.41 O ATOM 368 CB GLU A 26 -4.159 -5.339 -0.429 1.00 2.21 C ATOM 369 CG GLU A 26 -5.295 -4.752 -1.272 1.00 33.53 C ATOM 370 CD GLU A 26 -5.553 -5.533 -2.563 1.00 33.15 C ATOM 371 OE1 GLU A 26 -6.232 -6.578 -2.490 1.00 74.51 O ATOM 372 OE2 GLU A 26 -5.102 -5.085 -3.646 1.00 5.31 O ATOM 0 H GLU A 26 -2.230 -6.170 0.677 1.00 53.22 H new ATOM 0 HA GLU A 26 -2.483 -4.309 -1.350 1.00 0.13 H new ATOM 0 HB2 GLU A 26 -3.900 -6.317 -0.834 1.00 2.21 H new ATOM 0 HB3 GLU A 26 -4.529 -5.501 0.583 1.00 2.21 H new ATOM 0 HG2 GLU A 26 -6.208 -4.734 -0.677 1.00 33.53 H new ATOM 0 HG3 GLU A 26 -5.057 -3.718 -1.522 1.00 33.53 H new ATOM 377 N ALA A 27 -3.488 -3.085 1.557 1.00 4.42 N ATOM 378 CA ALA A 27 -3.782 -1.837 2.241 1.00 42.01 C ATOM 379 C ALA A 27 -2.535 -0.946 2.284 1.00 0.31 C ATOM 380 O ALA A 27 -2.528 0.194 1.807 1.00 41.12 O ATOM 381 CB ALA A 27 -4.310 -2.122 3.644 1.00 71.44 C ATOM 0 H ALA A 27 -3.566 -3.916 2.143 1.00 4.42 H new ATOM 0 HA ALA A 27 -4.555 -1.301 1.691 1.00 42.01 H new ATOM 0 HB1 ALA A 27 -4.528 -1.181 4.149 1.00 71.44 H new ATOM 0 HB2 ALA A 27 -5.221 -2.716 3.576 1.00 71.44 H new ATOM 0 HB3 ALA A 27 -3.559 -2.673 4.211 1.00 71.44 H new ATOM 387 N ARG A 28 -1.456 -1.475 2.867 1.00 14.21 N ATOM 388 CA ARG A 28 -0.225 -0.732 3.112 1.00 2.45 C ATOM 389 C ARG A 28 0.321 -0.154 1.810 1.00 15.01 C ATOM 390 O ARG A 28 0.638 1.034 1.754 1.00 33.44 O ATOM 391 CB ARG A 28 0.824 -1.644 3.764 1.00 60.41 C ATOM 392 CG ARG A 28 0.475 -2.196 5.166 1.00 33.44 C ATOM 393 CD ARG A 28 0.859 -1.304 6.353 1.00 22.45 C ATOM 394 NE ARG A 28 2.297 -0.983 6.399 1.00 52.01 N ATOM 395 CZ ARG A 28 2.933 -0.418 7.434 1.00 43.22 C ATOM 396 NH1 ARG A 28 2.266 -0.018 8.510 1.00 3.14 N ATOM 397 NH2 ARG A 28 4.245 -0.239 7.406 1.00 33.24 N ATOM 0 H ARG A 28 -1.416 -2.443 3.185 1.00 14.21 H new ATOM 0 HA ARG A 28 -0.449 0.091 3.790 1.00 2.45 H new ATOM 0 HB2 ARG A 28 1.004 -2.489 3.099 1.00 60.41 H new ATOM 0 HB3 ARG A 28 1.760 -1.091 3.837 1.00 60.41 H new ATOM 0 HG2 ARG A 28 -0.599 -2.378 5.206 1.00 33.44 H new ATOM 0 HG3 ARG A 28 0.967 -3.161 5.288 1.00 33.44 H new ATOM 0 HD2 ARG A 28 0.288 -0.377 6.302 1.00 22.45 H new ATOM 0 HD3 ARG A 28 0.575 -1.802 7.280 1.00 22.45 H new ATOM 0 HE ARG A 28 2.854 -1.210 5.575 1.00 52.01 H new ATOM 0 HH11 ARG A 28 1.254 -0.139 8.557 1.00 3.14 H new ATOM 0 HH12 ARG A 28 2.765 0.410 9.290 1.00 3.14 H new ATOM 0 HH21 ARG A 28 4.782 -0.532 6.590 1.00 33.24 H new ATOM 0 HH22 ARG A 28 4.718 0.192 8.200 1.00 33.24 H new ATOM 408 N ARG A 29 0.430 -0.969 0.754 1.00 43.23 N ATOM 409 CA ARG A 29 1.067 -0.582 -0.504 1.00 44.34 C ATOM 410 C ARG A 29 0.400 0.662 -1.087 1.00 55.02 C ATOM 411 O ARG A 29 1.111 1.546 -1.574 1.00 62.20 O ATOM 412 CB ARG A 29 1.131 -1.796 -1.471 1.00 43.13 C ATOM 413 CG ARG A 29 -0.152 -2.154 -2.234 1.00 13.33 C ATOM 414 CD ARG A 29 -0.020 -3.493 -2.978 1.00 41.32 C ATOM 415 NE ARG A 29 -1.076 -3.630 -3.990 1.00 72.23 N ATOM 416 CZ ARG A 29 -1.695 -4.735 -4.427 1.00 2.23 C ATOM 417 NH1 ARG A 29 -1.449 -5.945 -3.931 1.00 12.14 N ATOM 418 NH2 ARG A 29 -2.578 -4.593 -5.400 1.00 1.14 N ATOM 0 H ARG A 29 0.074 -1.925 0.752 1.00 43.23 H new ATOM 0 HA ARG A 29 2.103 -0.293 -0.325 1.00 44.34 H new ATOM 0 HB2 ARG A 29 1.916 -1.604 -2.202 1.00 43.13 H new ATOM 0 HB3 ARG A 29 1.437 -2.670 -0.896 1.00 43.13 H new ATOM 0 HG2 ARG A 29 -0.987 -2.207 -1.536 1.00 13.33 H new ATOM 0 HG3 ARG A 29 -0.383 -1.363 -2.948 1.00 13.33 H new ATOM 0 HD2 ARG A 29 0.958 -3.555 -3.455 1.00 41.32 H new ATOM 0 HD3 ARG A 29 -0.081 -4.317 -2.267 1.00 41.32 H new ATOM 0 HE ARG A 29 -1.382 -2.758 -4.422 1.00 72.23 H new ATOM 0 HH11 ARG A 29 -0.763 -6.061 -3.185 1.00 12.14 H new ATOM 0 HH12 ARG A 29 -1.946 -6.757 -4.297 1.00 12.14 H new ATOM 0 HH21 ARG A 29 -2.765 -3.668 -5.788 1.00 1.14 H new ATOM 0 HH22 ARG A 29 -3.072 -5.408 -5.763 1.00 1.14 H new ATOM 429 N ASN A 30 -0.931 0.756 -0.997 1.00 13.45 N ATOM 430 CA ASN A 30 -1.656 1.948 -1.423 1.00 23.55 C ATOM 431 C ASN A 30 -1.411 3.109 -0.470 1.00 71.43 C ATOM 432 O ASN A 30 -1.056 4.198 -0.919 1.00 54.30 O ATOM 433 CB ASN A 30 -3.162 1.701 -1.465 1.00 43.42 C ATOM 434 CG ASN A 30 -3.612 0.868 -2.644 1.00 32.31 C ATOM 435 OD1 ASN A 30 -3.563 1.326 -3.782 1.00 53.13 O ATOM 436 ND2 ASN A 30 -4.027 -0.355 -2.396 1.00 15.41 N ATOM 0 H ASN A 30 -1.527 0.014 -0.630 1.00 13.45 H new ATOM 0 HA ASN A 30 -1.288 2.190 -2.420 1.00 23.55 H new ATOM 0 HB2 ASN A 30 -3.465 1.203 -0.544 1.00 43.42 H new ATOM 0 HB3 ASN A 30 -3.677 2.661 -1.493 1.00 43.42 H new ATOM 0 HD21 ASN A 30 -4.322 -0.959 -3.163 1.00 15.41 H new ATOM 0 HD22 ASN A 30 -4.053 -0.700 -1.436 1.00 15.41 H new ATOM 442 N ARG A 31 -1.633 2.918 0.839 1.00 34.31 N ATOM 443 CA ARG A 31 -1.594 4.015 1.816 1.00 41.10 C ATOM 444 C ARG A 31 -0.251 4.746 1.762 1.00 54.44 C ATOM 445 O ARG A 31 -0.224 5.976 1.807 1.00 72.40 O ATOM 446 CB ARG A 31 -1.866 3.483 3.235 1.00 61.50 C ATOM 447 CG ARG A 31 -2.500 4.545 4.158 1.00 3.45 C ATOM 448 CD ARG A 31 -2.303 4.307 5.669 1.00 64.11 C ATOM 449 NE ARG A 31 -2.248 2.882 6.035 1.00 23.12 N ATOM 450 CZ ARG A 31 -2.656 2.302 7.169 1.00 0.03 C ATOM 451 NH1 ARG A 31 -3.272 2.977 8.128 1.00 63.41 N ATOM 452 NH2 ARG A 31 -2.420 1.014 7.370 1.00 73.34 N ATOM 0 H ARG A 31 -1.843 2.007 1.247 1.00 34.31 H new ATOM 0 HA ARG A 31 -2.377 4.728 1.559 1.00 41.10 H new ATOM 0 HB2 ARG A 31 -2.528 2.619 3.174 1.00 61.50 H new ATOM 0 HB3 ARG A 31 -0.930 3.137 3.675 1.00 61.50 H new ATOM 0 HG2 ARG A 31 -2.083 5.519 3.903 1.00 3.45 H new ATOM 0 HG3 ARG A 31 -3.569 4.591 3.951 1.00 3.45 H new ATOM 0 HD2 ARG A 31 -1.381 4.792 5.988 1.00 64.11 H new ATOM 0 HD3 ARG A 31 -3.119 4.783 6.213 1.00 64.11 H new ATOM 0 HE ARG A 31 -1.848 2.258 5.335 1.00 23.12 H new ATOM 0 HH11 ARG A 31 -3.450 3.975 8.016 1.00 63.41 H new ATOM 0 HH12 ARG A 31 -3.568 2.499 8.979 1.00 63.41 H new ATOM 0 HH21 ARG A 31 -1.929 0.469 6.661 1.00 73.34 H new ATOM 0 HH22 ARG A 31 -2.729 0.567 8.233 1.00 73.34 H new ATOM 463 N LEU A 32 0.838 3.987 1.605 1.00 11.42 N ATOM 464 CA LEU A 32 2.198 4.482 1.417 1.00 21.23 C ATOM 465 C LEU A 32 2.260 5.466 0.240 1.00 11.32 C ATOM 466 O LEU A 32 2.636 6.620 0.432 1.00 54.41 O ATOM 467 CB LEU A 32 3.155 3.284 1.239 1.00 12.25 C ATOM 468 CG LEU A 32 3.884 2.837 2.529 1.00 71.32 C ATOM 469 CD1 LEU A 32 2.996 2.497 3.729 1.00 61.12 C ATOM 470 CD2 LEU A 32 4.692 1.575 2.224 1.00 11.35 C ATOM 0 H LEU A 32 0.790 2.968 1.606 1.00 11.42 H new ATOM 0 HA LEU A 32 2.516 5.038 2.299 1.00 21.23 H new ATOM 0 HB2 LEU A 32 2.588 2.439 0.848 1.00 12.25 H new ATOM 0 HB3 LEU A 32 3.901 3.542 0.488 1.00 12.25 H new ATOM 0 HG LEU A 32 4.481 3.703 2.814 1.00 71.32 H new ATOM 0 HD11 LEU A 32 3.621 2.198 4.571 1.00 61.12 H new ATOM 0 HD12 LEU A 32 2.408 3.372 4.006 1.00 61.12 H new ATOM 0 HD13 LEU A 32 2.326 1.678 3.466 1.00 61.12 H new ATOM 0 HD21 LEU A 32 5.211 1.249 3.125 1.00 11.35 H new ATOM 0 HD22 LEU A 32 4.020 0.786 1.886 1.00 11.35 H new ATOM 0 HD23 LEU A 32 5.421 1.790 1.443 1.00 11.35 H new ATOM 481 N LEU A 33 1.838 5.061 -0.967 1.00 11.05 N ATOM 482 CA LEU A 33 1.779 5.940 -2.135 1.00 75.23 C ATOM 483 C LEU A 33 0.807 7.102 -1.917 1.00 64.34 C ATOM 484 O LEU A 33 0.948 8.148 -2.546 1.00 32.35 O ATOM 485 CB LEU A 33 1.328 5.134 -3.364 1.00 64.54 C ATOM 486 CG LEU A 33 2.469 4.822 -4.349 1.00 61.20 C ATOM 487 CD1 LEU A 33 2.753 3.327 -4.298 1.00 75.52 C ATOM 488 CD2 LEU A 33 2.133 5.210 -5.787 1.00 64.22 C ATOM 0 H LEU A 33 1.527 4.108 -1.157 1.00 11.05 H new ATOM 0 HA LEU A 33 2.776 6.351 -2.294 1.00 75.23 H new ATOM 0 HB2 LEU A 33 0.881 4.197 -3.030 1.00 64.54 H new ATOM 0 HB3 LEU A 33 0.550 5.690 -3.887 1.00 64.54 H new ATOM 0 HG LEU A 33 3.336 5.410 -4.049 1.00 61.20 H new ATOM 0 HD11 LEU A 33 3.560 3.086 -4.990 1.00 75.52 H new ATOM 0 HD12 LEU A 33 3.047 3.047 -3.286 1.00 75.52 H new ATOM 0 HD13 LEU A 33 1.856 2.776 -4.581 1.00 75.52 H new ATOM 0 HD21 LEU A 33 2.975 4.967 -6.436 1.00 64.22 H new ATOM 0 HD22 LEU A 33 1.251 4.660 -6.115 1.00 64.22 H new ATOM 0 HD23 LEU A 33 1.933 6.280 -5.838 1.00 64.22 H new ATOM 499 N GLY A 34 -0.201 6.933 -1.062 1.00 11.05 N ATOM 500 CA GLY A 34 -1.134 7.975 -0.671 1.00 3.03 C ATOM 501 C GLY A 34 -0.371 9.114 -0.013 1.00 55.32 C ATOM 502 O GLY A 34 -0.424 10.250 -0.473 1.00 53.42 O ATOM 0 H GLY A 34 -0.392 6.038 -0.612 1.00 11.05 H new ATOM 0 HA2 GLY A 34 -1.674 8.341 -1.544 1.00 3.03 H new ATOM 0 HA3 GLY A 34 -1.877 7.574 0.019 1.00 3.03 H new ATOM 506 N GLU A 35 0.370 8.791 1.045 1.00 71.14 N ATOM 507 CA GLU A 35 1.108 9.764 1.841 1.00 32.14 C ATOM 508 C GLU A 35 2.395 10.245 1.139 1.00 12.25 C ATOM 509 O GLU A 35 3.059 11.145 1.657 1.00 53.10 O ATOM 510 CB GLU A 35 1.383 9.164 3.234 1.00 0.01 C ATOM 511 CG GLU A 35 0.067 8.989 4.017 1.00 23.22 C ATOM 512 CD GLU A 35 0.271 8.662 5.497 1.00 53.01 C ATOM 513 OE1 GLU A 35 0.967 7.665 5.782 1.00 73.32 O ATOM 514 OE2 GLU A 35 -0.322 9.372 6.355 1.00 11.02 O ATOM 0 H GLU A 35 0.475 7.832 1.376 1.00 71.14 H new ATOM 0 HA GLU A 35 0.499 10.660 1.958 1.00 32.14 H new ATOM 0 HB2 GLU A 35 1.881 8.200 3.129 1.00 0.01 H new ATOM 0 HB3 GLU A 35 2.059 9.814 3.789 1.00 0.01 H new ATOM 0 HG2 GLU A 35 -0.519 9.904 3.934 1.00 23.22 H new ATOM 0 HG3 GLU A 35 -0.517 8.193 3.555 1.00 23.22 H new ATOM 519 N TRP A 36 2.765 9.684 -0.022 1.00 60.42 N ATOM 520 CA TRP A 36 3.697 10.301 -0.976 1.00 42.11 C ATOM 521 C TRP A 36 2.937 11.363 -1.764 1.00 11.22 C ATOM 522 O TRP A 36 3.207 12.549 -1.609 1.00 73.10 O ATOM 523 CB TRP A 36 4.310 9.252 -1.927 1.00 55.41 C ATOM 524 CG TRP A 36 4.907 9.771 -3.210 1.00 31.25 C ATOM 525 CD1 TRP A 36 5.934 10.650 -3.324 1.00 53.31 C ATOM 526 CD2 TRP A 36 4.447 9.543 -4.582 1.00 54.22 C ATOM 527 NE1 TRP A 36 6.166 10.941 -4.652 1.00 33.51 N ATOM 528 CE2 TRP A 36 5.264 10.300 -5.470 1.00 0.25 C ATOM 529 CE3 TRP A 36 3.384 8.812 -5.164 1.00 1.42 C ATOM 530 CZ2 TRP A 36 5.042 10.331 -6.854 1.00 73.10 C ATOM 531 CZ3 TRP A 36 3.137 8.859 -6.552 1.00 22.43 C ATOM 532 CH2 TRP A 36 3.959 9.630 -7.393 1.00 42.44 C ATOM 0 H TRP A 36 2.419 8.775 -0.329 1.00 60.42 H new ATOM 0 HA TRP A 36 4.525 10.755 -0.431 1.00 42.11 H new ATOM 0 HB2 TRP A 36 5.086 8.712 -1.384 1.00 55.41 H new ATOM 0 HB3 TRP A 36 3.536 8.528 -2.180 1.00 55.41 H new ATOM 0 HD1 TRP A 36 6.490 11.062 -2.495 1.00 53.31 H new ATOM 0 HE1 TRP A 36 6.911 11.553 -4.985 1.00 33.51 H new ATOM 0 HE3 TRP A 36 2.750 8.207 -4.533 1.00 1.42 H new ATOM 0 HZ2 TRP A 36 5.702 10.892 -7.499 1.00 73.10 H new ATOM 0 HZ3 TRP A 36 2.313 8.300 -6.971 1.00 22.43 H new ATOM 0 HH2 TRP A 36 3.754 9.681 -8.452 1.00 42.44 H new ATOM 542 N ALA A 37 1.961 10.946 -2.579 1.00 3.42 N ATOM 543 CA ALA A 37 1.239 11.815 -3.495 1.00 11.23 C ATOM 544 C ALA A 37 0.637 13.026 -2.780 1.00 31.55 C ATOM 545 O ALA A 37 0.659 14.114 -3.336 1.00 34.33 O ATOM 546 CB ALA A 37 0.165 10.983 -4.198 1.00 21.32 C ATOM 0 H ALA A 37 1.650 9.975 -2.615 1.00 3.42 H new ATOM 0 HA ALA A 37 1.932 12.220 -4.233 1.00 11.23 H new ATOM 0 HB1 ALA A 37 -0.390 11.616 -4.891 1.00 21.32 H new ATOM 0 HB2 ALA A 37 0.637 10.169 -4.748 1.00 21.32 H new ATOM 0 HB3 ALA A 37 -0.519 10.570 -3.456 1.00 21.32 H new ATOM 552 N ALA A 38 0.168 12.897 -1.540 1.00 72.50 N ATOM 553 CA ALA A 38 -0.312 14.033 -0.760 1.00 75.23 C ATOM 554 C ALA A 38 0.699 15.198 -0.721 1.00 14.03 C ATOM 555 O ALA A 38 0.322 16.364 -0.884 1.00 4.34 O ATOM 556 CB ALA A 38 -0.630 13.534 0.643 1.00 55.12 C ATOM 0 H ALA A 38 0.111 12.004 -1.050 1.00 72.50 H new ATOM 0 HA ALA A 38 -1.206 14.438 -1.235 1.00 75.23 H new ATOM 0 HB1 ALA A 38 -0.992 14.363 1.251 1.00 55.12 H new ATOM 0 HB2 ALA A 38 -1.397 12.762 0.589 1.00 55.12 H new ATOM 0 HB3 ALA A 38 0.271 13.119 1.095 1.00 55.12 H new ATOM 562 N GLY A 39 1.991 14.873 -0.599 1.00 4.45 N ATOM 563 CA GLY A 39 3.121 15.799 -0.617 1.00 42.02 C ATOM 564 C GLY A 39 3.374 16.452 -1.978 1.00 3.12 C ATOM 565 O GLY A 39 4.219 17.344 -2.089 1.00 32.23 O ATOM 0 H GLY A 39 2.288 13.905 -0.479 1.00 4.45 H new ATOM 0 HA2 GLY A 39 2.948 16.581 0.122 1.00 42.02 H new ATOM 0 HA3 GLY A 39 4.020 15.264 -0.310 1.00 42.02 H new ATOM 569 N LEU A 40 2.693 15.997 -3.026 1.00 15.45 N ATOM 570 CA LEU A 40 2.765 16.493 -4.390 1.00 42.32 C ATOM 571 C LEU A 40 1.512 17.283 -4.752 1.00 20.53 C ATOM 572 O LEU A 40 1.631 18.326 -5.383 1.00 13.33 O ATOM 573 CB LEU A 40 2.914 15.305 -5.347 1.00 1.04 C ATOM 574 CG LEU A 40 4.239 14.546 -5.244 1.00 20.11 C ATOM 575 CD1 LEU A 40 4.196 13.399 -6.249 1.00 62.11 C ATOM 576 CD2 LEU A 40 5.440 15.416 -5.594 1.00 44.32 C ATOM 0 H LEU A 40 2.035 15.223 -2.935 1.00 15.45 H new ATOM 0 HA LEU A 40 3.625 17.158 -4.475 1.00 42.32 H new ATOM 0 HB2 LEU A 40 2.098 14.606 -5.162 1.00 1.04 H new ATOM 0 HB3 LEU A 40 2.799 15.666 -6.369 1.00 1.04 H new ATOM 0 HG LEU A 40 4.353 14.207 -4.214 1.00 20.11 H new ATOM 0 HD11 LEU A 40 5.129 12.837 -6.200 1.00 62.11 H new ATOM 0 HD12 LEU A 40 3.362 12.739 -6.012 1.00 62.11 H new ATOM 0 HD13 LEU A 40 4.067 13.801 -7.254 1.00 62.11 H new ATOM 0 HD21 LEU A 40 6.354 14.828 -5.505 1.00 44.32 H new ATOM 0 HD22 LEU A 40 5.341 15.779 -6.617 1.00 44.32 H new ATOM 0 HD23 LEU A 40 5.486 16.264 -4.911 1.00 44.32 H new ATOM 587 N LEU A 41 0.319 16.809 -4.368 1.00 4.05 N ATOM 588 CA LEU A 41 -0.946 17.445 -4.752 1.00 75.23 C ATOM 589 C LEU A 41 -1.024 18.894 -4.286 1.00 11.45 C ATOM 590 O LEU A 41 -1.628 19.727 -4.959 1.00 52.42 O ATOM 591 CB LEU A 41 -2.148 16.696 -4.160 1.00 22.43 C ATOM 592 CG LEU A 41 -2.705 15.516 -4.966 1.00 71.13 C ATOM 593 CD1 LEU A 41 -2.903 15.811 -6.453 1.00 73.51 C ATOM 594 CD2 LEU A 41 -1.918 14.233 -4.783 1.00 41.32 C ATOM 0 H LEU A 41 0.205 15.979 -3.786 1.00 4.05 H new ATOM 0 HA LEU A 41 -0.978 17.412 -5.841 1.00 75.23 H new ATOM 0 HB2 LEU A 41 -1.864 16.328 -3.174 1.00 22.43 H new ATOM 0 HB3 LEU A 41 -2.954 17.415 -4.012 1.00 22.43 H new ATOM 0 HG LEU A 41 -3.695 15.363 -4.537 1.00 71.13 H new ATOM 0 HD11 LEU A 41 -3.299 14.926 -6.950 1.00 73.51 H new ATOM 0 HD12 LEU A 41 -3.604 16.637 -6.570 1.00 73.51 H new ATOM 0 HD13 LEU A 41 -1.947 16.081 -6.901 1.00 73.51 H new ATOM 0 HD21 LEU A 41 -2.368 13.441 -5.382 1.00 41.32 H new ATOM 0 HD22 LEU A 41 -0.888 14.389 -5.103 1.00 41.32 H new ATOM 0 HD23 LEU A 41 -1.931 13.945 -3.732 1.00 41.32 H new ATOM 605 N GLY A 42 -0.464 19.159 -3.110 1.00 54.14 N ATOM 606 CA GLY A 42 -0.440 20.472 -2.462 1.00 35.52 C ATOM 607 C GLY A 42 -1.177 20.494 -1.141 1.00 40.32 C ATOM 608 O GLY A 42 -1.421 21.565 -0.579 1.00 11.34 O ATOM 0 H GLY A 42 0.004 18.440 -2.559 1.00 54.14 H new ATOM 0 HA2 GLY A 42 0.595 20.771 -2.299 1.00 35.52 H new ATOM 0 HA3 GLY A 42 -0.883 21.209 -3.131 1.00 35.52 H new ATOM 612 N LYS A 43 -1.507 19.314 -0.617 1.00 33.51 N ATOM 613 CA LYS A 43 -2.127 19.213 0.681 1.00 15.21 C ATOM 614 C LYS A 43 -1.138 19.636 1.765 1.00 74.54 C ATOM 615 O LYS A 43 0.071 19.654 1.534 1.00 23.11 O ATOM 616 CB LYS A 43 -2.593 17.779 0.953 1.00 22.42 C ATOM 617 CG LYS A 43 -3.397 17.105 -0.163 1.00 32.53 C ATOM 618 CD LYS A 43 -4.810 17.646 -0.406 1.00 20.41 C ATOM 619 CE LYS A 43 -5.257 17.162 -1.792 1.00 52.44 C ATOM 620 NZ LYS A 43 -6.716 17.222 -1.977 1.00 41.14 N ATOM 0 H LYS A 43 -1.350 18.419 -1.081 1.00 33.51 H new ATOM 0 HA LYS A 43 -2.994 19.873 0.695 1.00 15.21 H new ATOM 0 HB2 LYS A 43 -1.715 17.167 1.160 1.00 22.42 H new ATOM 0 HB3 LYS A 43 -3.200 17.782 1.858 1.00 22.42 H new ATOM 0 HG2 LYS A 43 -2.833 17.193 -1.092 1.00 32.53 H new ATOM 0 HG3 LYS A 43 -3.473 16.042 0.065 1.00 32.53 H new ATOM 0 HD2 LYS A 43 -5.495 17.290 0.364 1.00 20.41 H new ATOM 0 HD3 LYS A 43 -4.817 18.735 -0.359 1.00 20.41 H new ATOM 0 HE2 LYS A 43 -4.774 17.770 -2.557 1.00 52.44 H new ATOM 0 HE3 LYS A 43 -4.919 16.136 -1.939 1.00 52.44 H new ATOM 0 HZ1 LYS A 43 -6.959 16.884 -2.930 1.00 41.14 H new ATOM 0 HZ2 LYS A 43 -7.181 16.621 -1.267 1.00 41.14 H new ATOM 0 HZ3 LYS A 43 -7.040 18.204 -1.865 1.00 41.14 H new ATOM 630 N THR A 44 -1.633 19.871 2.968 1.00 13.34 N ATOM 631 CA THR A 44 -0.849 19.840 4.195 1.00 72.12 C ATOM 632 C THR A 44 -1.780 19.329 5.302 1.00 51.24 C ATOM 633 O THR A 44 -3.001 19.338 5.120 1.00 53.44 O ATOM 634 CB THR A 44 -0.292 21.244 4.519 1.00 75.54 C ATOM 635 OG1 THR A 44 -1.287 22.253 4.415 1.00 21.24 O ATOM 636 CG2 THR A 44 0.872 21.681 3.631 1.00 64.14 C ATOM 0 H THR A 44 -2.616 20.094 3.125 1.00 13.34 H new ATOM 0 HA THR A 44 0.015 19.183 4.097 1.00 72.12 H new ATOM 0 HB THR A 44 0.063 21.140 5.544 1.00 75.54 H new ATOM 0 HG1 THR A 44 -0.893 23.124 4.630 1.00 21.24 H new ATOM 0 HG21 THR A 44 1.201 22.677 3.927 1.00 64.14 H new ATOM 0 HG22 THR A 44 1.698 20.978 3.742 1.00 64.14 H new ATOM 0 HG23 THR A 44 0.549 21.700 2.590 1.00 64.14 H new ATOM 644 N GLY A 45 -1.259 18.931 6.462 1.00 41.10 N ATOM 645 CA GLY A 45 -2.066 18.662 7.636 1.00 24.34 C ATOM 646 C GLY A 45 -2.933 17.444 7.379 1.00 55.32 C ATOM 647 O GLY A 45 -2.500 16.465 6.771 1.00 31.11 O ATOM 0 H GLY A 45 -0.260 18.787 6.607 1.00 41.10 H new ATOM 0 HA2 GLY A 45 -1.425 18.491 8.501 1.00 24.34 H new ATOM 0 HA3 GLY A 45 -2.690 19.525 7.868 1.00 24.34 H new ATOM 651 N ASP A 46 -4.155 17.452 7.895 1.00 73.31 N ATOM 652 CA ASP A 46 -5.000 16.267 7.848 1.00 20.44 C ATOM 653 C ASP A 46 -5.595 16.039 6.463 1.00 15.44 C ATOM 654 O ASP A 46 -5.998 14.921 6.153 1.00 13.25 O ATOM 655 CB ASP A 46 -6.134 16.336 8.868 1.00 4.45 C ATOM 656 CG ASP A 46 -5.653 16.464 10.308 1.00 33.41 C ATOM 657 OD1 ASP A 46 -4.784 15.678 10.738 1.00 73.31 O ATOM 658 OD2 ASP A 46 -6.148 17.394 10.994 1.00 72.44 O ATOM 0 H ASP A 46 -4.581 18.261 8.348 1.00 73.31 H new ATOM 0 HA ASP A 46 -4.347 15.429 8.094 1.00 20.44 H new ATOM 0 HB2 ASP A 46 -6.774 17.186 8.631 1.00 4.45 H new ATOM 0 HB3 ASP A 46 -6.748 15.440 8.777 1.00 4.45 H new ATOM 662 N ASP A 47 -5.607 17.067 5.620 1.00 74.12 N ATOM 663 CA ASP A 47 -5.948 16.987 4.196 1.00 3.33 C ATOM 664 C ASP A 47 -4.995 16.051 3.467 1.00 3.03 C ATOM 665 O ASP A 47 -5.403 15.295 2.584 1.00 34.32 O ATOM 666 CB ASP A 47 -5.833 18.370 3.544 1.00 62.52 C ATOM 667 CG ASP A 47 -7.195 18.968 3.240 1.00 60.11 C ATOM 668 OD1 ASP A 47 -7.936 19.333 4.175 1.00 23.43 O ATOM 669 OD2 ASP A 47 -7.533 19.100 2.044 1.00 61.33 O ATOM 0 H ASP A 47 -5.372 18.014 5.916 1.00 74.12 H new ATOM 0 HA ASP A 47 -6.969 16.614 4.123 1.00 3.33 H new ATOM 0 HB2 ASP A 47 -5.283 19.039 4.206 1.00 62.52 H new ATOM 0 HB3 ASP A 47 -5.258 18.290 2.622 1.00 62.52 H new ATOM 673 N ALA A 48 -3.712 16.093 3.844 1.00 52.22 N ATOM 674 CA ALA A 48 -2.707 15.232 3.246 1.00 63.10 C ATOM 675 C ALA A 48 -3.031 13.791 3.593 1.00 64.33 C ATOM 676 O ALA A 48 -2.909 12.888 2.765 1.00 20.31 O ATOM 677 CB ALA A 48 -1.316 15.621 3.757 1.00 60.34 C ATOM 0 H ALA A 48 -3.352 16.720 4.564 1.00 52.22 H new ATOM 0 HA ALA A 48 -2.710 15.347 2.162 1.00 63.10 H new ATOM 0 HB1 ALA A 48 -0.567 14.971 3.304 1.00 60.34 H new ATOM 0 HB2 ALA A 48 -1.107 16.657 3.490 1.00 60.34 H new ATOM 0 HB3 ALA A 48 -1.283 15.512 4.841 1.00 60.34 H new ATOM 683 N ARG A 49 -3.487 13.573 4.825 1.00 20.21 N ATOM 684 CA ARG A 49 -3.912 12.259 5.229 1.00 0.45 C ATOM 685 C ARG A 49 -5.181 11.875 4.505 1.00 62.21 C ATOM 686 O ARG A 49 -5.204 10.762 4.006 1.00 72.50 O ATOM 687 CB ARG A 49 -4.020 12.192 6.745 1.00 64.12 C ATOM 688 CG ARG A 49 -2.675 12.596 7.377 1.00 11.11 C ATOM 689 CD ARG A 49 -2.566 11.941 8.742 1.00 61.31 C ATOM 690 NE ARG A 49 -1.878 10.643 8.659 1.00 0.22 N ATOM 691 CZ ARG A 49 -1.988 9.644 9.535 1.00 74.14 C ATOM 692 NH1 ARG A 49 -2.777 9.756 10.603 1.00 62.20 N ATOM 693 NH2 ARG A 49 -1.294 8.532 9.309 1.00 1.41 N ATOM 0 H ARG A 49 -3.567 14.290 5.546 1.00 20.21 H new ATOM 0 HA ARG A 49 -3.168 11.516 4.943 1.00 0.45 H new ATOM 0 HB2 ARG A 49 -4.811 12.856 7.093 1.00 64.12 H new ATOM 0 HB3 ARG A 49 -4.291 11.183 7.056 1.00 64.12 H new ATOM 0 HG2 ARG A 49 -1.848 12.283 6.740 1.00 11.11 H new ATOM 0 HG3 ARG A 49 -2.612 13.680 7.471 1.00 11.11 H new ATOM 0 HD2 ARG A 49 -2.024 12.599 9.421 1.00 61.31 H new ATOM 0 HD3 ARG A 49 -3.562 11.801 9.161 1.00 61.31 H new ATOM 0 HE ARG A 49 -1.262 10.494 7.860 1.00 0.22 H new ATOM 0 HH11 ARG A 49 -3.306 10.614 10.758 1.00 62.20 H new ATOM 0 HH12 ARG A 49 -2.852 8.984 11.265 1.00 62.20 H new ATOM 0 HH21 ARG A 49 -0.699 8.461 8.484 1.00 1.41 H new ATOM 0 HH22 ARG A 49 -1.357 7.750 9.961 1.00 1.41 H new ATOM 704 N ALA A 50 -6.177 12.757 4.378 1.00 20.51 N ATOM 705 CA ALA A 50 -7.443 12.473 3.706 1.00 1.44 C ATOM 706 C ALA A 50 -7.208 11.906 2.312 1.00 41.33 C ATOM 707 O ALA A 50 -7.836 10.901 1.967 1.00 35.53 O ATOM 708 CB ALA A 50 -8.310 13.736 3.608 1.00 33.45 C ATOM 0 H ALA A 50 -6.122 13.706 4.748 1.00 20.51 H new ATOM 0 HA ALA A 50 -7.969 11.729 4.305 1.00 1.44 H new ATOM 0 HB1 ALA A 50 -9.246 13.496 3.104 1.00 33.45 H new ATOM 0 HB2 ALA A 50 -8.523 14.110 4.610 1.00 33.45 H new ATOM 0 HB3 ALA A 50 -7.778 14.500 3.041 1.00 33.45 H new ATOM 714 N TYR A 51 -6.290 12.513 1.553 1.00 72.41 N ATOM 715 CA TYR A 51 -5.931 12.057 0.218 1.00 72.31 C ATOM 716 C TYR A 51 -5.489 10.585 0.235 1.00 20.51 C ATOM 717 O TYR A 51 -5.849 9.791 -0.639 1.00 20.31 O ATOM 718 CB TYR A 51 -4.821 12.964 -0.337 1.00 11.11 C ATOM 719 CG TYR A 51 -4.390 12.525 -1.718 1.00 54.10 C ATOM 720 CD1 TYR A 51 -5.101 12.961 -2.846 1.00 44.32 C ATOM 721 CD2 TYR A 51 -3.416 11.521 -1.849 1.00 13.03 C ATOM 722 CE1 TYR A 51 -4.877 12.368 -4.097 1.00 4.33 C ATOM 723 CE2 TYR A 51 -3.224 10.884 -3.085 1.00 23.22 C ATOM 724 CZ TYR A 51 -3.959 11.304 -4.216 1.00 64.52 C ATOM 725 OH TYR A 51 -3.824 10.634 -5.397 1.00 51.31 O ATOM 0 H TYR A 51 -5.775 13.340 1.855 1.00 72.41 H new ATOM 0 HA TYR A 51 -6.804 12.119 -0.431 1.00 72.31 H new ATOM 0 HB2 TYR A 51 -5.176 13.994 -0.375 1.00 11.11 H new ATOM 0 HB3 TYR A 51 -3.964 12.946 0.336 1.00 11.11 H new ATOM 0 HD1 TYR A 51 -5.824 13.757 -2.751 1.00 44.32 H new ATOM 0 HD2 TYR A 51 -2.814 11.239 -0.998 1.00 13.03 H new ATOM 0 HE1 TYR A 51 -5.407 12.726 -4.968 1.00 4.33 H new ATOM 0 HE2 TYR A 51 -2.515 10.074 -3.171 1.00 23.22 H new ATOM 0 HH TYR A 51 -4.653 10.712 -5.914 1.00 51.31 H new ATOM 734 N ALA A 52 -4.696 10.192 1.237 1.00 51.01 N ATOM 735 CA ALA A 52 -4.198 8.829 1.359 1.00 63.51 C ATOM 736 C ALA A 52 -5.329 7.810 1.507 1.00 20.52 C ATOM 737 O ALA A 52 -5.194 6.671 1.054 1.00 51.00 O ATOM 738 CB ALA A 52 -3.280 8.723 2.579 1.00 64.50 C ATOM 0 H ALA A 52 -4.385 10.814 1.983 1.00 51.01 H new ATOM 0 HA ALA A 52 -3.653 8.602 0.443 1.00 63.51 H new ATOM 0 HB1 ALA A 52 -2.909 7.702 2.668 1.00 64.50 H new ATOM 0 HB2 ALA A 52 -2.439 9.406 2.462 1.00 64.50 H new ATOM 0 HB3 ALA A 52 -3.838 8.986 3.478 1.00 64.50 H new ATOM 744 N LEU A 53 -6.404 8.191 2.197 1.00 13.21 N ATOM 745 CA LEU A 53 -7.438 7.260 2.652 1.00 35.53 C ATOM 746 C LEU A 53 -8.335 6.792 1.510 1.00 3.13 C ATOM 747 O LEU A 53 -8.858 5.691 1.577 1.00 12.14 O ATOM 748 CB LEU A 53 -8.327 7.874 3.744 1.00 43.04 C ATOM 749 CG LEU A 53 -7.583 8.686 4.808 1.00 61.21 C ATOM 750 CD1 LEU A 53 -8.577 9.339 5.763 1.00 41.02 C ATOM 751 CD2 LEU A 53 -6.522 7.923 5.603 1.00 4.32 C ATOM 0 H LEU A 53 -6.584 9.161 2.458 1.00 13.21 H new ATOM 0 HA LEU A 53 -6.898 6.406 3.060 1.00 35.53 H new ATOM 0 HB2 LEU A 53 -9.066 8.519 3.269 1.00 43.04 H new ATOM 0 HB3 LEU A 53 -8.874 7.072 4.239 1.00 43.04 H new ATOM 0 HG LEU A 53 -7.029 9.437 4.245 1.00 61.21 H new ATOM 0 HD11 LEU A 53 -8.036 9.913 6.515 1.00 41.02 H new ATOM 0 HD12 LEU A 53 -9.236 10.003 5.204 1.00 41.02 H new ATOM 0 HD13 LEU A 53 -9.171 8.568 6.254 1.00 41.02 H new ATOM 0 HD21 LEU A 53 -6.059 8.593 6.327 1.00 4.32 H new ATOM 0 HD22 LEU A 53 -6.990 7.089 6.127 1.00 4.32 H new ATOM 0 HD23 LEU A 53 -5.761 7.542 4.922 1.00 4.32 H new ATOM 762 N THR A 54 -8.527 7.617 0.477 1.00 75.32 N ATOM 763 CA THR A 54 -9.406 7.296 -0.646 1.00 72.43 C ATOM 764 C THR A 54 -8.699 6.401 -1.682 1.00 12.32 C ATOM 765 O THR A 54 -9.361 5.834 -2.551 1.00 71.11 O ATOM 766 CB THR A 54 -9.983 8.614 -1.220 1.00 32.53 C ATOM 767 OG1 THR A 54 -10.811 8.426 -2.351 1.00 22.25 O ATOM 768 CG2 THR A 54 -8.901 9.625 -1.617 1.00 71.52 C ATOM 0 H THR A 54 -8.075 8.528 0.398 1.00 75.32 H new ATOM 0 HA THR A 54 -10.250 6.695 -0.309 1.00 72.43 H new ATOM 0 HB THR A 54 -10.576 9.004 -0.392 1.00 32.53 H new ATOM 0 HG1 THR A 54 -11.142 9.294 -2.662 1.00 22.25 H new ATOM 0 HG21 THR A 54 -9.372 10.526 -2.011 1.00 71.52 H new ATOM 0 HG22 THR A 54 -8.304 9.881 -0.742 1.00 71.52 H new ATOM 0 HG23 THR A 54 -8.257 9.188 -2.380 1.00 71.52 H new ATOM 776 N VAL A 55 -7.369 6.250 -1.613 1.00 15.14 N ATOM 777 CA VAL A 55 -6.614 5.473 -2.597 1.00 0.03 C ATOM 778 C VAL A 55 -6.201 4.108 -2.033 1.00 14.31 C ATOM 779 O VAL A 55 -6.089 3.144 -2.793 1.00 35.35 O ATOM 780 CB VAL A 55 -5.477 6.345 -3.174 1.00 42.32 C ATOM 781 CG1 VAL A 55 -4.443 6.766 -2.123 1.00 3.03 C ATOM 782 CG2 VAL A 55 -4.780 5.684 -4.370 1.00 31.13 C ATOM 0 H VAL A 55 -6.793 6.661 -0.878 1.00 15.14 H new ATOM 0 HA VAL A 55 -7.240 5.210 -3.450 1.00 0.03 H new ATOM 0 HB VAL A 55 -5.971 7.251 -3.525 1.00 42.32 H new ATOM 0 HG11 VAL A 55 -3.672 7.376 -2.595 1.00 3.03 H new ATOM 0 HG12 VAL A 55 -4.934 7.344 -1.340 1.00 3.03 H new ATOM 0 HG13 VAL A 55 -3.986 5.878 -1.686 1.00 3.03 H new ATOM 0 HG21 VAL A 55 -3.989 6.338 -4.738 1.00 31.13 H new ATOM 0 HG22 VAL A 55 -4.348 4.732 -4.059 1.00 31.13 H new ATOM 0 HG23 VAL A 55 -5.506 5.511 -5.164 1.00 31.13 H new ATOM 792 N VAL A 56 -6.038 3.969 -0.711 1.00 60.21 N ATOM 793 CA VAL A 56 -6.136 2.658 -0.093 1.00 52.21 C ATOM 794 C VAL A 56 -7.604 2.281 -0.199 1.00 74.21 C ATOM 795 O VAL A 56 -8.454 3.149 -0.042 1.00 24.54 O ATOM 796 CB VAL A 56 -5.558 2.685 1.337 1.00 61.52 C ATOM 797 CG1 VAL A 56 -6.285 3.607 2.317 1.00 54.04 C ATOM 798 CG2 VAL A 56 -5.496 1.276 1.925 1.00 31.43 C ATOM 0 H VAL A 56 -5.842 4.736 -0.068 1.00 60.21 H new ATOM 0 HA VAL A 56 -5.538 1.891 -0.586 1.00 52.21 H new ATOM 0 HB VAL A 56 -4.558 3.101 1.215 1.00 61.52 H new ATOM 0 HG11 VAL A 56 -5.802 3.554 3.293 1.00 54.04 H new ATOM 0 HG12 VAL A 56 -6.247 4.632 1.948 1.00 54.04 H new ATOM 0 HG13 VAL A 56 -7.325 3.293 2.409 1.00 54.04 H new ATOM 0 HG21 VAL A 56 -5.085 1.320 2.934 1.00 31.43 H new ATOM 0 HG22 VAL A 56 -6.500 0.852 1.960 1.00 31.43 H new ATOM 0 HG23 VAL A 56 -4.859 0.649 1.301 1.00 31.43 H new ATOM 915 N GLU A 66 -3.668 -2.600 -12.663 1.00 63.50 N ATOM 916 CA GLU A 66 -3.556 -2.225 -14.069 1.00 4.31 C ATOM 917 C GLU A 66 -3.872 -0.749 -14.366 1.00 70.14 C ATOM 918 O GLU A 66 -3.535 -0.256 -15.446 1.00 13.15 O ATOM 919 CB GLU A 66 -4.492 -3.132 -14.883 1.00 71.44 C ATOM 920 CG GLU A 66 -5.960 -3.046 -14.420 1.00 51.14 C ATOM 921 CD GLU A 66 -6.961 -3.631 -15.415 1.00 4.04 C ATOM 922 OE1 GLU A 66 -6.559 -4.333 -16.375 1.00 50.41 O ATOM 923 OE2 GLU A 66 -8.164 -3.332 -15.262 1.00 30.54 O ATOM 0 HA GLU A 66 -2.511 -2.357 -14.351 1.00 4.31 H new ATOM 0 HB2 GLU A 66 -4.431 -2.857 -15.936 1.00 71.44 H new ATOM 0 HB3 GLU A 66 -4.151 -4.164 -14.803 1.00 71.44 H new ATOM 0 HG2 GLU A 66 -6.061 -3.568 -13.469 1.00 51.14 H new ATOM 0 HG3 GLU A 66 -6.212 -2.001 -14.238 1.00 51.14 H new ATOM 928 N ASP A 67 -4.550 -0.037 -13.461 1.00 54.31 N ATOM 929 CA ASP A 67 -5.208 1.246 -13.772 1.00 70.23 C ATOM 930 C ASP A 67 -4.840 2.366 -12.814 1.00 74.31 C ATOM 931 O ASP A 67 -5.074 3.539 -13.090 1.00 21.31 O ATOM 932 CB ASP A 67 -6.732 1.071 -13.759 1.00 3.04 C ATOM 933 CG ASP A 67 -7.325 1.368 -15.131 1.00 11.11 C ATOM 934 OD1 ASP A 67 -7.164 2.494 -15.645 1.00 73.33 O ATOM 935 OD2 ASP A 67 -7.935 0.447 -15.723 1.00 25.41 O ATOM 0 H ASP A 67 -4.661 -0.330 -12.490 1.00 54.31 H new ATOM 0 HA ASP A 67 -4.853 1.533 -14.762 1.00 70.23 H new ATOM 0 HB2 ASP A 67 -6.983 0.052 -13.463 1.00 3.04 H new ATOM 0 HB3 ASP A 67 -7.172 1.736 -13.016 1.00 3.04 H new ATOM 939 N VAL A 68 -4.233 2.022 -11.683 1.00 34.24 N ATOM 940 CA VAL A 68 -3.849 2.997 -10.675 1.00 3.31 C ATOM 941 C VAL A 68 -2.822 3.983 -11.237 1.00 64.10 C ATOM 942 O VAL A 68 -2.803 5.134 -10.811 1.00 32.31 O ATOM 943 CB VAL A 68 -3.369 2.249 -9.433 1.00 12.35 C ATOM 944 CG1 VAL A 68 -2.103 1.454 -9.721 1.00 1.21 C ATOM 945 CG2 VAL A 68 -3.198 3.154 -8.206 1.00 52.44 C ATOM 0 H VAL A 68 -3.995 1.060 -11.442 1.00 34.24 H new ATOM 0 HA VAL A 68 -4.703 3.608 -10.382 1.00 3.31 H new ATOM 0 HB VAL A 68 -4.162 1.546 -9.177 1.00 12.35 H new ATOM 0 HG11 VAL A 68 -1.787 0.933 -8.817 1.00 1.21 H new ATOM 0 HG12 VAL A 68 -2.301 0.727 -10.508 1.00 1.21 H new ATOM 0 HG13 VAL A 68 -1.313 2.132 -10.044 1.00 1.21 H new ATOM 0 HG21 VAL A 68 -2.855 2.559 -7.360 1.00 52.44 H new ATOM 0 HG22 VAL A 68 -2.464 3.929 -8.425 1.00 52.44 H new ATOM 0 HG23 VAL A 68 -4.153 3.618 -7.960 1.00 52.44 H new ATOM 955 N PHE A 69 -2.047 3.574 -12.246 1.00 53.02 N ATOM 956 CA PHE A 69 -1.239 4.476 -13.061 1.00 71.33 C ATOM 957 C PHE A 69 -2.092 5.643 -13.545 1.00 40.12 C ATOM 958 O PHE A 69 -1.830 6.797 -13.229 1.00 13.33 O ATOM 959 CB PHE A 69 -0.641 3.766 -14.289 1.00 32.23 C ATOM 960 CG PHE A 69 0.146 4.728 -15.152 1.00 24.15 C ATOM 961 CD1 PHE A 69 1.259 5.388 -14.601 1.00 11.33 C ATOM 962 CD2 PHE A 69 -0.275 5.036 -16.461 1.00 12.03 C ATOM 963 CE1 PHE A 69 1.905 6.396 -15.325 1.00 4.15 C ATOM 964 CE2 PHE A 69 0.420 6.006 -17.206 1.00 73.14 C ATOM 965 CZ PHE A 69 1.491 6.707 -16.630 1.00 23.45 C ATOM 0 H PHE A 69 -1.965 2.595 -12.520 1.00 53.02 H new ATOM 0 HA PHE A 69 -0.422 4.830 -12.433 1.00 71.33 H new ATOM 0 HB2 PHE A 69 0.008 2.954 -13.962 1.00 32.23 H new ATOM 0 HB3 PHE A 69 -1.441 3.317 -14.878 1.00 32.23 H new ATOM 0 HD1 PHE A 69 1.615 5.117 -13.618 1.00 11.33 H new ATOM 0 HD2 PHE A 69 -1.127 4.530 -16.890 1.00 12.03 H new ATOM 0 HE1 PHE A 69 2.726 6.937 -14.878 1.00 4.15 H new ATOM 0 HE2 PHE A 69 0.128 6.212 -18.225 1.00 73.14 H new ATOM 0 HZ PHE A 69 1.994 7.482 -17.188 1.00 23.45 H new ATOM 974 N ARG A 70 -3.144 5.329 -14.300 1.00 21.34 N ATOM 975 CA ARG A 70 -4.040 6.286 -14.927 1.00 4.23 C ATOM 976 C ARG A 70 -4.775 7.132 -13.886 1.00 53.23 C ATOM 977 O ARG A 70 -5.162 8.268 -14.159 1.00 32.54 O ATOM 978 CB ARG A 70 -4.995 5.470 -15.818 1.00 70.22 C ATOM 979 CG ARG A 70 -5.588 6.288 -16.960 1.00 74.20 C ATOM 980 CD ARG A 70 -6.904 6.989 -16.642 1.00 45.24 C ATOM 981 NE ARG A 70 -7.019 8.182 -17.483 1.00 72.23 N ATOM 982 CZ ARG A 70 -7.821 9.220 -17.268 1.00 12.04 C ATOM 983 NH1 ARG A 70 -8.810 9.139 -16.389 1.00 73.53 N ATOM 984 NH2 ARG A 70 -7.634 10.330 -17.964 1.00 63.31 N ATOM 0 H ARG A 70 -3.401 4.362 -14.496 1.00 21.34 H new ATOM 0 HA ARG A 70 -3.491 7.007 -15.532 1.00 4.23 H new ATOM 0 HB2 ARG A 70 -4.458 4.616 -16.231 1.00 70.22 H new ATOM 0 HB3 ARG A 70 -5.804 5.072 -15.205 1.00 70.22 H new ATOM 0 HG2 ARG A 70 -4.859 7.039 -17.264 1.00 74.20 H new ATOM 0 HG3 ARG A 70 -5.743 5.630 -17.815 1.00 74.20 H new ATOM 0 HD2 ARG A 70 -7.743 6.317 -16.824 1.00 45.24 H new ATOM 0 HD3 ARG A 70 -6.939 7.265 -15.588 1.00 45.24 H new ATOM 0 HE ARG A 70 -6.427 8.220 -18.313 1.00 72.23 H new ATOM 0 HH11 ARG A 70 -8.961 8.274 -15.870 1.00 73.53 H new ATOM 0 HH12 ARG A 70 -9.420 9.942 -16.232 1.00 73.53 H new ATOM 0 HH21 ARG A 70 -6.883 10.380 -18.653 1.00 63.31 H new ATOM 0 HH22 ARG A 70 -8.240 11.136 -17.811 1.00 63.31 H new ATOM 995 N LYS A 71 -4.974 6.592 -12.685 1.00 54.32 N ATOM 996 CA LYS A 71 -5.573 7.293 -11.562 1.00 23.13 C ATOM 997 C LYS A 71 -4.584 8.313 -11.008 1.00 22.53 C ATOM 998 O LYS A 71 -4.885 9.502 -10.961 1.00 13.31 O ATOM 999 CB LYS A 71 -6.041 6.251 -10.544 1.00 65.11 C ATOM 1000 CG LYS A 71 -6.829 6.880 -9.396 1.00 61.13 C ATOM 1001 CD LYS A 71 -7.773 5.831 -8.803 1.00 51.34 C ATOM 1002 CE LYS A 71 -8.570 6.395 -7.630 1.00 11.41 C ATOM 1003 NZ LYS A 71 -7.745 6.576 -6.420 1.00 74.53 N ATOM 0 H LYS A 71 -4.715 5.630 -12.465 1.00 54.32 H new ATOM 0 HA LYS A 71 -6.450 7.868 -11.859 1.00 23.13 H new ATOM 0 HB2 LYS A 71 -6.662 5.509 -11.045 1.00 65.11 H new ATOM 0 HB3 LYS A 71 -5.176 5.723 -10.143 1.00 65.11 H new ATOM 0 HG2 LYS A 71 -6.147 7.249 -8.630 1.00 61.13 H new ATOM 0 HG3 LYS A 71 -7.398 7.737 -9.756 1.00 61.13 H new ATOM 0 HD2 LYS A 71 -8.458 5.479 -9.574 1.00 51.34 H new ATOM 0 HD3 LYS A 71 -7.197 4.968 -8.471 1.00 51.34 H new ATOM 0 HE2 LYS A 71 -9.003 7.353 -7.917 1.00 11.41 H new ATOM 0 HE3 LYS A 71 -9.399 5.725 -7.403 1.00 11.41 H new ATOM 0 HZ1 LYS A 71 -8.300 7.069 -5.692 1.00 74.53 H new ATOM 0 HZ2 LYS A 71 -7.449 5.646 -6.059 1.00 74.53 H new ATOM 0 HZ3 LYS A 71 -6.903 7.140 -6.655 1.00 74.53 H new ATOM 1013 N LEU A 72 -3.383 7.871 -10.638 1.00 31.34 N ATOM 1014 CA LEU A 72 -2.320 8.720 -10.113 1.00 33.44 C ATOM 1015 C LEU A 72 -1.924 9.789 -11.125 1.00 2.35 C ATOM 1016 O LEU A 72 -1.694 10.923 -10.721 1.00 51.02 O ATOM 1017 CB LEU A 72 -1.097 7.866 -9.740 1.00 40.14 C ATOM 1018 CG LEU A 72 -1.282 7.100 -8.423 1.00 1.31 C ATOM 1019 CD1 LEU A 72 -0.341 5.898 -8.336 1.00 43.41 C ATOM 1020 CD2 LEU A 72 -0.993 8.021 -7.237 1.00 54.02 C ATOM 0 H LEU A 72 -3.118 6.888 -10.697 1.00 31.34 H new ATOM 0 HA LEU A 72 -2.693 9.219 -9.219 1.00 33.44 H new ATOM 0 HB2 LEU A 72 -0.898 7.156 -10.543 1.00 40.14 H new ATOM 0 HB3 LEU A 72 -0.221 8.510 -9.660 1.00 40.14 H new ATOM 0 HG LEU A 72 -2.313 6.748 -8.394 1.00 1.31 H new ATOM 0 HD11 LEU A 72 -0.500 5.379 -7.391 1.00 43.41 H new ATOM 0 HD12 LEU A 72 -0.544 5.217 -9.162 1.00 43.41 H new ATOM 0 HD13 LEU A 72 0.692 6.240 -8.393 1.00 43.41 H new ATOM 0 HD21 LEU A 72 -1.127 7.469 -6.307 1.00 54.02 H new ATOM 0 HD22 LEU A 72 0.033 8.384 -7.299 1.00 54.02 H new ATOM 0 HD23 LEU A 72 -1.679 8.868 -7.258 1.00 54.02 H new ATOM 1031 N ALA A 73 -1.878 9.465 -12.417 1.00 74.10 N ATOM 1032 CA ALA A 73 -1.517 10.399 -13.474 1.00 0.24 C ATOM 1033 C ALA A 73 -2.550 11.510 -13.644 1.00 54.03 C ATOM 1034 O ALA A 73 -2.202 12.556 -14.182 1.00 13.31 O ATOM 1035 CB ALA A 73 -1.338 9.637 -14.793 1.00 14.31 C ATOM 0 H ALA A 73 -2.095 8.529 -12.760 1.00 74.10 H new ATOM 0 HA ALA A 73 -0.579 10.876 -13.189 1.00 0.24 H new ATOM 0 HB1 ALA A 73 -1.068 10.337 -15.584 1.00 14.31 H new ATOM 0 HB2 ALA A 73 -0.548 8.895 -14.680 1.00 14.31 H new ATOM 0 HB3 ALA A 73 -2.271 9.137 -15.054 1.00 14.31 H new ATOM 1041 N ALA A 74 -3.795 11.308 -13.196 1.00 34.13 N ATOM 1042 CA ALA A 74 -4.780 12.382 -13.145 1.00 52.02 C ATOM 1043 C ALA A 74 -4.615 13.261 -11.898 1.00 33.21 C ATOM 1044 O ALA A 74 -5.096 14.394 -11.876 1.00 14.21 O ATOM 1045 CB ALA A 74 -6.181 11.773 -13.165 1.00 5.43 C ATOM 0 H ALA A 74 -4.139 10.407 -12.864 1.00 34.13 H new ATOM 0 HA ALA A 74 -4.628 13.022 -14.014 1.00 52.02 H new ATOM 0 HB1 ALA A 74 -6.924 12.569 -13.127 1.00 5.43 H new ATOM 0 HB2 ALA A 74 -6.314 11.196 -14.080 1.00 5.43 H new ATOM 0 HB3 ALA A 74 -6.306 11.119 -12.302 1.00 5.43 H new ATOM 1051 N ASP A 75 -3.984 12.754 -10.838 1.00 15.21 N ATOM 1052 CA ASP A 75 -3.770 13.488 -9.593 1.00 1.21 C ATOM 1053 C ASP A 75 -2.475 14.282 -9.705 1.00 54.03 C ATOM 1054 O ASP A 75 -2.487 15.510 -9.687 1.00 15.43 O ATOM 1055 CB ASP A 75 -3.731 12.537 -8.384 1.00 52.00 C ATOM 1056 CG ASP A 75 -5.066 12.452 -7.653 1.00 42.01 C ATOM 1057 OD1 ASP A 75 -5.655 13.500 -7.294 1.00 23.42 O ATOM 1058 OD2 ASP A 75 -5.519 11.311 -7.385 1.00 15.23 O ATOM 0 H ASP A 75 -3.602 11.808 -10.821 1.00 15.21 H new ATOM 0 HA ASP A 75 -4.603 14.173 -9.433 1.00 1.21 H new ATOM 0 HB2 ASP A 75 -3.443 11.541 -8.721 1.00 52.00 H new ATOM 0 HB3 ASP A 75 -2.962 12.873 -7.688 1.00 52.00 H new ATOM 1062 N LEU A 76 -1.346 13.587 -9.857 1.00 12.13 N ATOM 1063 CA LEU A 76 -0.016 14.171 -9.960 1.00 62.20 C ATOM 1064 C LEU A 76 0.256 14.726 -11.357 1.00 55.32 C ATOM 1065 O LEU A 76 1.407 14.797 -11.781 1.00 3.44 O ATOM 1066 CB LEU A 76 1.054 13.139 -9.591 1.00 31.41 C ATOM 1067 CG LEU A 76 0.999 12.555 -8.173 1.00 21.21 C ATOM 1068 CD1 LEU A 76 0.397 13.492 -7.119 1.00 61.42 C ATOM 1069 CD2 LEU A 76 0.296 11.204 -8.159 1.00 54.41 C ATOM 0 H LEU A 76 -1.337 12.569 -9.913 1.00 12.13 H new ATOM 0 HA LEU A 76 0.027 15.002 -9.256 1.00 62.20 H new ATOM 0 HB2 LEU A 76 0.988 12.314 -10.300 1.00 31.41 H new ATOM 0 HB3 LEU A 76 2.032 13.600 -9.730 1.00 31.41 H new ATOM 0 HG LEU A 76 2.041 12.422 -7.883 1.00 21.21 H new ATOM 0 HD11 LEU A 76 0.399 12.996 -6.148 1.00 61.42 H new ATOM 0 HD12 LEU A 76 0.991 14.404 -7.062 1.00 61.42 H new ATOM 0 HD13 LEU A 76 -0.627 13.742 -7.397 1.00 61.42 H new ATOM 0 HD21 LEU A 76 0.273 10.816 -7.141 1.00 54.41 H new ATOM 0 HD22 LEU A 76 -0.724 11.321 -8.526 1.00 54.41 H new ATOM 0 HD23 LEU A 76 0.835 10.507 -8.801 1.00 54.41 H new ATOM 1080 N GLU A 77 -0.794 15.097 -12.076 1.00 14.11 N ATOM 1081 CA GLU A 77 -0.749 15.700 -13.385 1.00 42.32 C ATOM 1082 C GLU A 77 0.007 17.028 -13.253 1.00 31.31 C ATOM 1083 O GLU A 77 -0.542 18.010 -12.751 1.00 62.30 O ATOM 1084 CB GLU A 77 -2.200 15.826 -13.867 1.00 42.24 C ATOM 1085 CG GLU A 77 -2.321 16.097 -15.367 1.00 34.51 C ATOM 1086 CD GLU A 77 -2.391 17.588 -15.662 1.00 62.34 C ATOM 1087 OE1 GLU A 77 -3.431 18.214 -15.324 1.00 35.55 O ATOM 1088 OE2 GLU A 77 -1.442 18.133 -16.256 1.00 35.25 O ATOM 0 H GLU A 77 -1.748 14.975 -11.736 1.00 14.11 H new ATOM 0 HA GLU A 77 -0.215 15.116 -14.135 1.00 42.32 H new ATOM 0 HB2 GLU A 77 -2.736 14.908 -13.627 1.00 42.24 H new ATOM 0 HB3 GLU A 77 -2.688 16.632 -13.319 1.00 42.24 H new ATOM 0 HG2 GLU A 77 -1.467 15.662 -15.886 1.00 34.51 H new ATOM 0 HG3 GLU A 77 -3.213 15.606 -15.755 1.00 34.51 H new ATOM 1093 N GLY A 78 1.295 17.011 -13.606 1.00 2.42 N ATOM 1094 CA GLY A 78 2.220 18.132 -13.509 1.00 33.34 C ATOM 1095 C GLY A 78 3.100 18.109 -12.258 1.00 73.40 C ATOM 1096 O GLY A 78 3.648 19.149 -11.886 1.00 15.41 O ATOM 0 H GLY A 78 1.737 16.173 -13.984 1.00 2.42 H new ATOM 0 HA2 GLY A 78 2.861 18.138 -14.391 1.00 33.34 H new ATOM 0 HA3 GLY A 78 1.651 19.061 -13.523 1.00 33.34 H new ATOM 1100 N LYS A 79 3.148 16.988 -11.526 1.00 64.21 N ATOM 1101 CA LYS A 79 3.872 16.852 -10.263 1.00 55.31 C ATOM 1102 C LYS A 79 4.730 15.595 -10.244 1.00 52.02 C ATOM 1103 O LYS A 79 5.816 15.611 -9.670 1.00 11.32 O ATOM 1104 CB LYS A 79 2.940 16.846 -9.046 1.00 20.45 C ATOM 1105 CG LYS A 79 2.075 18.100 -8.896 1.00 31.12 C ATOM 1106 CD LYS A 79 0.842 18.101 -9.802 1.00 74.53 C ATOM 1107 CE LYS A 79 -0.259 19.010 -9.274 1.00 13.12 C ATOM 1108 NZ LYS A 79 -0.195 20.365 -9.863 1.00 41.22 N ATOM 0 H LYS A 79 2.671 16.131 -11.806 1.00 64.21 H new ATOM 0 HA LYS A 79 4.515 17.730 -10.195 1.00 55.31 H new ATOM 0 HB2 LYS A 79 2.286 15.976 -9.110 1.00 20.45 H new ATOM 0 HB3 LYS A 79 3.542 16.727 -8.145 1.00 20.45 H new ATOM 0 HG2 LYS A 79 1.754 18.189 -7.858 1.00 31.12 H new ATOM 0 HG3 LYS A 79 2.681 18.979 -9.118 1.00 31.12 H new ATOM 0 HD2 LYS A 79 1.129 18.424 -10.803 1.00 74.53 H new ATOM 0 HD3 LYS A 79 0.459 17.084 -9.893 1.00 74.53 H new ATOM 0 HE2 LYS A 79 -1.230 18.566 -9.493 1.00 13.12 H new ATOM 0 HE3 LYS A 79 -0.179 19.083 -8.189 1.00 13.12 H new ATOM 0 HZ1 LYS A 79 -0.963 20.949 -9.475 1.00 41.22 H new ATOM 0 HZ2 LYS A 79 0.721 20.800 -9.633 1.00 41.22 H new ATOM 0 HZ3 LYS A 79 -0.298 20.300 -10.896 1.00 41.22 H new ATOM 1118 N ALA A 80 4.233 14.496 -10.817 1.00 32.22 N ATOM 1119 CA ALA A 80 4.991 13.277 -11.010 1.00 33.13 C ATOM 1120 C ALA A 80 4.648 12.771 -12.399 1.00 31.24 C ATOM 1121 O ALA A 80 3.489 12.476 -12.670 1.00 61.44 O ATOM 1122 CB ALA A 80 4.654 12.251 -9.923 1.00 32.55 C ATOM 0 H ALA A 80 3.275 14.437 -11.163 1.00 32.22 H new ATOM 0 HA ALA A 80 6.063 13.456 -10.930 1.00 33.13 H new ATOM 0 HB1 ALA A 80 5.234 11.343 -10.087 1.00 32.55 H new ATOM 0 HB2 ALA A 80 4.897 12.665 -8.944 1.00 32.55 H new ATOM 0 HB3 ALA A 80 3.591 12.014 -9.963 1.00 32.55 H new ATOM 1128 N ASP A 81 5.640 12.698 -13.282 1.00 41.04 N ATOM 1129 CA ASP A 81 5.451 12.114 -14.608 1.00 35.24 C ATOM 1130 C ASP A 81 5.441 10.585 -14.480 1.00 51.44 C ATOM 1131 O ASP A 81 5.571 10.036 -13.380 1.00 42.42 O ATOM 1132 CB ASP A 81 6.538 12.567 -15.591 1.00 11.33 C ATOM 1133 CG ASP A 81 6.755 14.072 -15.607 1.00 71.32 C ATOM 1134 OD1 ASP A 81 5.941 14.812 -16.206 1.00 64.50 O ATOM 1135 OD2 ASP A 81 7.732 14.518 -14.957 1.00 23.12 O ATOM 0 H ASP A 81 6.585 13.037 -13.103 1.00 41.04 H new ATOM 0 HA ASP A 81 4.498 12.460 -15.009 1.00 35.24 H new ATOM 0 HB2 ASP A 81 7.476 12.076 -15.334 1.00 11.33 H new ATOM 0 HB3 ASP A 81 6.270 12.236 -16.594 1.00 11.33 H new ATOM 1139 N GLU A 82 5.313 9.874 -15.603 1.00 31.12 N ATOM 1140 CA GLU A 82 5.263 8.415 -15.637 1.00 24.41 C ATOM 1141 C GLU A 82 6.477 7.804 -14.941 1.00 14.12 C ATOM 1142 O GLU A 82 6.314 6.914 -14.103 1.00 74.33 O ATOM 1143 CB GLU A 82 5.105 7.933 -17.090 1.00 2.11 C ATOM 1144 CG GLU A 82 4.919 6.409 -17.216 1.00 32.13 C ATOM 1145 CD GLU A 82 6.188 5.545 -17.294 1.00 53.00 C ATOM 1146 OE1 GLU A 82 7.303 6.057 -17.552 1.00 74.12 O ATOM 1147 OE2 GLU A 82 6.002 4.311 -17.110 1.00 24.12 O ATOM 0 H GLU A 82 5.240 10.304 -16.525 1.00 31.12 H new ATOM 0 HA GLU A 82 4.391 8.072 -15.079 1.00 24.41 H new ATOM 0 HB2 GLU A 82 4.247 8.434 -17.539 1.00 2.11 H new ATOM 0 HB3 GLU A 82 5.984 8.232 -17.661 1.00 2.11 H new ATOM 0 HG2 GLU A 82 4.333 6.070 -16.362 1.00 32.13 H new ATOM 0 HG3 GLU A 82 4.324 6.215 -18.109 1.00 32.13 H new ATOM 1152 N GLU A 83 7.655 8.361 -15.218 1.00 21.22 N ATOM 1153 CA GLU A 83 8.962 7.960 -14.704 1.00 42.11 C ATOM 1154 C GLU A 83 9.067 8.095 -13.174 1.00 60.31 C ATOM 1155 O GLU A 83 10.025 7.620 -12.564 1.00 40.04 O ATOM 1156 CB GLU A 83 9.996 8.841 -15.419 1.00 44.30 C ATOM 1157 CG GLU A 83 11.426 8.295 -15.370 1.00 54.31 C ATOM 1158 CD GLU A 83 12.390 9.142 -16.197 1.00 1.02 C ATOM 1159 OE1 GLU A 83 12.067 9.571 -17.331 1.00 31.33 O ATOM 1160 OE2 GLU A 83 13.523 9.407 -15.731 1.00 41.43 O ATOM 0 H GLU A 83 7.725 9.158 -15.850 1.00 21.22 H new ATOM 0 HA GLU A 83 9.135 6.902 -14.903 1.00 42.11 H new ATOM 0 HB2 GLU A 83 9.699 8.958 -16.461 1.00 44.30 H new ATOM 0 HB3 GLU A 83 9.983 9.834 -14.971 1.00 44.30 H new ATOM 0 HG2 GLU A 83 11.767 8.264 -14.335 1.00 54.31 H new ATOM 0 HG3 GLU A 83 11.435 7.270 -15.740 1.00 54.31 H new ATOM 1165 N THR A 84 8.079 8.721 -12.537 1.00 0.31 N ATOM 1166 CA THR A 84 7.984 8.882 -11.097 1.00 2.04 C ATOM 1167 C THR A 84 6.791 8.084 -10.560 1.00 52.20 C ATOM 1168 O THR A 84 6.956 7.308 -9.623 1.00 20.21 O ATOM 1169 CB THR A 84 7.923 10.385 -10.774 1.00 71.31 C ATOM 1170 OG1 THR A 84 8.984 11.093 -11.389 1.00 42.01 O ATOM 1171 CG2 THR A 84 7.993 10.639 -9.269 1.00 53.34 C ATOM 0 H THR A 84 7.295 9.144 -13.034 1.00 0.31 H new ATOM 0 HA THR A 84 8.863 8.479 -10.593 1.00 2.04 H new ATOM 0 HB THR A 84 6.969 10.740 -11.164 1.00 71.31 H new ATOM 0 HG1 THR A 84 8.915 12.045 -11.165 1.00 42.01 H new ATOM 0 HG21 THR A 84 7.947 11.711 -9.078 1.00 53.34 H new ATOM 0 HG22 THR A 84 7.154 10.147 -8.778 1.00 53.34 H new ATOM 0 HG23 THR A 84 8.928 10.240 -8.876 1.00 53.34 H new ATOM 1179 N ILE A 85 5.599 8.209 -11.147 1.00 54.23 N ATOM 1180 CA ILE A 85 4.407 7.456 -10.761 1.00 33.33 C ATOM 1181 C ILE A 85 4.666 5.947 -10.796 1.00 41.01 C ATOM 1182 O ILE A 85 4.504 5.264 -9.780 1.00 72.13 O ATOM 1183 CB ILE A 85 3.238 7.831 -11.694 1.00 3.24 C ATOM 1184 CG1 ILE A 85 2.853 9.318 -11.542 1.00 44.41 C ATOM 1185 CG2 ILE A 85 2.004 6.953 -11.404 1.00 20.32 C ATOM 1186 CD1 ILE A 85 1.867 9.800 -12.610 1.00 41.11 C ATOM 0 H ILE A 85 5.433 8.852 -11.922 1.00 54.23 H new ATOM 0 HA ILE A 85 4.147 7.717 -9.735 1.00 33.33 H new ATOM 0 HB ILE A 85 3.572 7.658 -12.717 1.00 3.24 H new ATOM 0 HG12 ILE A 85 2.415 9.474 -10.556 1.00 44.41 H new ATOM 0 HG13 ILE A 85 3.756 9.927 -11.590 1.00 44.41 H new ATOM 0 HG21 ILE A 85 1.191 7.235 -12.074 1.00 20.32 H new ATOM 0 HG22 ILE A 85 2.258 5.905 -11.562 1.00 20.32 H new ATOM 0 HG23 ILE A 85 1.689 7.098 -10.371 1.00 20.32 H new ATOM 0 HD11 ILE A 85 1.638 10.853 -12.445 1.00 41.11 H new ATOM 0 HD12 ILE A 85 2.311 9.675 -13.598 1.00 41.11 H new ATOM 0 HD13 ILE A 85 0.949 9.215 -12.548 1.00 41.11 H new ATOM 1197 N ARG A 86 5.004 5.401 -11.970 1.00 12.22 N ATOM 1198 CA ARG A 86 5.243 3.967 -12.113 1.00 14.31 C ATOM 1199 C ARG A 86 6.440 3.571 -11.258 1.00 62.14 C ATOM 1200 O ARG A 86 6.421 2.487 -10.681 1.00 43.33 O ATOM 1201 CB ARG A 86 5.453 3.605 -13.596 1.00 34.23 C ATOM 1202 CG ARG A 86 4.171 3.150 -14.306 1.00 60.44 C ATOM 1203 CD ARG A 86 4.005 1.623 -14.311 1.00 71.11 C ATOM 1204 NE ARG A 86 4.961 0.953 -15.205 1.00 12.43 N ATOM 1205 CZ ARG A 86 5.179 -0.363 -15.310 1.00 31.32 C ATOM 1206 NH1 ARG A 86 4.492 -1.244 -14.586 1.00 52.22 N ATOM 1207 NH2 ARG A 86 6.103 -0.782 -16.163 1.00 23.31 N ATOM 0 H ARG A 86 5.117 5.934 -12.832 1.00 12.22 H new ATOM 0 HA ARG A 86 4.374 3.409 -11.765 1.00 14.31 H new ATOM 0 HB2 ARG A 86 5.860 4.471 -14.118 1.00 34.23 H new ATOM 0 HB3 ARG A 86 6.198 2.812 -13.666 1.00 34.23 H new ATOM 0 HG2 ARG A 86 3.309 3.603 -13.816 1.00 60.44 H new ATOM 0 HG3 ARG A 86 4.181 3.513 -15.334 1.00 60.44 H new ATOM 0 HD2 ARG A 86 4.134 1.244 -13.297 1.00 71.11 H new ATOM 0 HD3 ARG A 86 2.989 1.373 -14.618 1.00 71.11 H new ATOM 0 HE ARG A 86 5.518 1.556 -15.810 1.00 12.43 H new ATOM 0 HH11 ARG A 86 3.779 -0.921 -13.932 1.00 52.22 H new ATOM 0 HH12 ARG A 86 4.678 -2.242 -14.686 1.00 52.22 H new ATOM 0 HH21 ARG A 86 6.627 -0.107 -16.719 1.00 23.31 H new ATOM 0 HH22 ARG A 86 6.290 -1.780 -16.263 1.00 23.31 H new ATOM 1218 N ALA A 87 7.414 4.469 -11.097 1.00 43.44 N ATOM 1219 CA ALA A 87 8.604 4.192 -10.301 1.00 11.04 C ATOM 1220 C ALA A 87 8.216 3.959 -8.842 1.00 35.34 C ATOM 1221 O ALA A 87 8.477 2.890 -8.292 1.00 12.01 O ATOM 1222 CB ALA A 87 9.637 5.312 -10.430 1.00 12.11 C ATOM 0 H ALA A 87 7.398 5.400 -11.512 1.00 43.44 H new ATOM 0 HA ALA A 87 9.069 3.284 -10.684 1.00 11.04 H new ATOM 0 HB1 ALA A 87 10.511 5.073 -9.824 1.00 12.11 H new ATOM 0 HB2 ALA A 87 9.936 5.413 -11.473 1.00 12.11 H new ATOM 0 HB3 ALA A 87 9.202 6.250 -10.085 1.00 12.11 H new ATOM 1228 N LYS A 88 7.555 4.935 -8.216 1.00 13.23 N ATOM 1229 CA LYS A 88 7.084 4.831 -6.839 1.00 75.23 C ATOM 1230 C LYS A 88 6.146 3.650 -6.677 1.00 43.32 C ATOM 1231 O LYS A 88 6.188 3.005 -5.634 1.00 3.35 O ATOM 1232 CB LYS A 88 6.403 6.136 -6.392 1.00 24.15 C ATOM 1233 CG LYS A 88 7.396 7.299 -6.242 1.00 71.20 C ATOM 1234 CD LYS A 88 8.347 7.133 -5.049 1.00 54.43 C ATOM 1235 CE LYS A 88 9.323 8.306 -5.051 1.00 52.03 C ATOM 1236 NZ LYS A 88 10.402 8.147 -4.058 1.00 13.35 N ATOM 0 H LYS A 88 7.331 5.827 -8.657 1.00 13.23 H new ATOM 0 HA LYS A 88 7.950 4.666 -6.198 1.00 75.23 H new ATOM 0 HB2 LYS A 88 5.637 6.409 -7.118 1.00 24.15 H new ATOM 0 HB3 LYS A 88 5.897 5.970 -5.441 1.00 24.15 H new ATOM 0 HG2 LYS A 88 7.983 7.387 -7.156 1.00 71.20 H new ATOM 0 HG3 LYS A 88 6.841 8.230 -6.129 1.00 71.20 H new ATOM 0 HD2 LYS A 88 7.785 7.108 -4.115 1.00 54.43 H new ATOM 0 HD3 LYS A 88 8.887 6.189 -5.122 1.00 54.43 H new ATOM 0 HE2 LYS A 88 9.760 8.408 -6.044 1.00 52.03 H new ATOM 0 HE3 LYS A 88 8.778 9.228 -4.846 1.00 52.03 H new ATOM 0 HZ1 LYS A 88 11.037 8.970 -4.100 1.00 13.35 H new ATOM 0 HZ2 LYS A 88 9.990 8.076 -3.106 1.00 13.35 H new ATOM 0 HZ3 LYS A 88 10.941 7.283 -4.267 1.00 13.35 H new ATOM 1246 N MET A 89 5.308 3.338 -7.669 1.00 13.01 N ATOM 1247 CA MET A 89 4.474 2.150 -7.592 1.00 41.24 C ATOM 1248 C MET A 89 5.332 0.895 -7.448 1.00 23.42 C ATOM 1249 O MET A 89 5.147 0.152 -6.479 1.00 44.22 O ATOM 1250 CB MET A 89 3.486 2.061 -8.757 1.00 40.44 C ATOM 1251 CG MET A 89 2.561 0.872 -8.447 1.00 64.33 C ATOM 1252 SD MET A 89 1.141 0.635 -9.526 1.00 72.23 S ATOM 1253 CE MET A 89 1.810 -0.587 -10.681 1.00 35.21 C ATOM 0 H MET A 89 5.194 3.887 -8.521 1.00 13.01 H new ATOM 0 HA MET A 89 3.862 2.228 -6.693 1.00 41.24 H new ATOM 0 HB2 MET A 89 2.914 2.984 -8.853 1.00 40.44 H new ATOM 0 HB3 MET A 89 4.010 1.911 -9.701 1.00 40.44 H new ATOM 0 HG2 MET A 89 3.160 -0.038 -8.472 1.00 64.33 H new ATOM 0 HG3 MET A 89 2.195 0.985 -7.426 1.00 64.33 H new ATOM 0 HE1 MET A 89 1.051 -0.843 -11.420 1.00 35.21 H new ATOM 0 HE2 MET A 89 2.682 -0.171 -11.186 1.00 35.21 H new ATOM 0 HE3 MET A 89 2.101 -1.484 -10.134 1.00 35.21 H new ATOM 1261 N VAL A 90 6.248 0.656 -8.387 1.00 41.01 N ATOM 1262 CA VAL A 90 7.152 -0.487 -8.397 1.00 14.24 C ATOM 1263 C VAL A 90 7.882 -0.565 -7.051 1.00 62.34 C ATOM 1264 O VAL A 90 7.795 -1.589 -6.363 1.00 2.42 O ATOM 1265 CB VAL A 90 8.091 -0.356 -9.619 1.00 52.32 C ATOM 1266 CG1 VAL A 90 9.278 -1.318 -9.553 1.00 60.31 C ATOM 1267 CG2 VAL A 90 7.327 -0.621 -10.927 1.00 74.10 C ATOM 0 H VAL A 90 6.383 1.275 -9.186 1.00 41.01 H new ATOM 0 HA VAL A 90 6.618 -1.431 -8.506 1.00 14.24 H new ATOM 0 HB VAL A 90 8.469 0.666 -9.599 1.00 52.32 H new ATOM 0 HG11 VAL A 90 9.904 -1.184 -10.435 1.00 60.31 H new ATOM 0 HG12 VAL A 90 9.864 -1.112 -8.657 1.00 60.31 H new ATOM 0 HG13 VAL A 90 8.913 -2.345 -9.520 1.00 60.31 H new ATOM 0 HG21 VAL A 90 8.008 -0.523 -11.772 1.00 74.10 H new ATOM 0 HG22 VAL A 90 6.914 -1.629 -10.909 1.00 74.10 H new ATOM 0 HG23 VAL A 90 6.517 0.101 -11.028 1.00 74.10 H new ATOM 1277 N GLU A 91 8.523 0.533 -6.642 1.00 44.33 N ATOM 1278 CA GLU A 91 9.326 0.621 -5.428 1.00 71.32 C ATOM 1279 C GLU A 91 8.525 0.446 -4.141 1.00 42.44 C ATOM 1280 O GLU A 91 9.109 0.384 -3.062 1.00 1.31 O ATOM 1281 CB GLU A 91 10.106 1.944 -5.392 1.00 35.12 C ATOM 1282 CG GLU A 91 11.319 1.862 -6.313 1.00 73.52 C ATOM 1283 CD GLU A 91 12.352 2.946 -6.013 1.00 72.41 C ATOM 1284 OE1 GLU A 91 12.992 2.903 -4.935 1.00 12.13 O ATOM 1285 OE2 GLU A 91 12.612 3.782 -6.900 1.00 60.21 O ATOM 0 H GLU A 91 8.494 1.409 -7.164 1.00 44.33 H new ATOM 0 HA GLU A 91 10.020 -0.218 -5.470 1.00 71.32 H new ATOM 0 HB2 GLU A 91 9.459 2.765 -5.702 1.00 35.12 H new ATOM 0 HB3 GLU A 91 10.427 2.158 -4.373 1.00 35.12 H new ATOM 0 HG2 GLU A 91 11.785 0.882 -6.210 1.00 73.52 H new ATOM 0 HG3 GLU A 91 10.992 1.952 -7.349 1.00 73.52 H new ATOM 1290 N LEU A 92 7.200 0.351 -4.208 1.00 31.24 N ATOM 1291 CA LEU A 92 6.346 0.192 -3.045 1.00 73.22 C ATOM 1292 C LEU A 92 5.551 -1.104 -3.101 1.00 61.23 C ATOM 1293 O LEU A 92 5.051 -1.551 -2.071 1.00 44.24 O ATOM 1294 CB LEU A 92 5.464 1.441 -2.930 1.00 14.01 C ATOM 1295 CG LEU A 92 6.271 2.668 -2.409 1.00 1.15 C ATOM 1296 CD1 LEU A 92 5.451 3.960 -2.416 1.00 4.41 C ATOM 1297 CD2 LEU A 92 6.788 2.470 -0.983 1.00 3.14 C ATOM 0 H LEU A 92 6.686 0.383 -5.088 1.00 31.24 H new ATOM 0 HA LEU A 92 6.949 0.106 -2.141 1.00 73.22 H new ATOM 0 HB2 LEU A 92 5.034 1.675 -3.904 1.00 14.01 H new ATOM 0 HB3 LEU A 92 4.632 1.239 -2.255 1.00 14.01 H new ATOM 0 HG LEU A 92 7.108 2.753 -3.102 1.00 1.15 H new ATOM 0 HD11 LEU A 92 6.063 4.781 -2.043 1.00 4.41 H new ATOM 0 HD12 LEU A 92 5.128 4.181 -3.433 1.00 4.41 H new ATOM 0 HD13 LEU A 92 4.577 3.840 -1.776 1.00 4.41 H new ATOM 0 HD21 LEU A 92 7.343 3.355 -0.671 1.00 3.14 H new ATOM 0 HD22 LEU A 92 5.946 2.313 -0.309 1.00 3.14 H new ATOM 0 HD23 LEU A 92 7.444 1.600 -0.951 1.00 3.14 H new ATOM 1308 N ARG A 93 5.479 -1.754 -4.260 1.00 73.22 N ATOM 1309 CA ARG A 93 4.812 -3.037 -4.447 1.00 31.55 C ATOM 1310 C ARG A 93 5.642 -4.150 -3.821 1.00 62.53 C ATOM 1311 O ARG A 93 5.128 -4.875 -2.963 1.00 22.32 O ATOM 1312 CB ARG A 93 4.591 -3.255 -5.956 1.00 53.43 C ATOM 1313 CG ARG A 93 3.163 -2.994 -6.452 1.00 75.10 C ATOM 1314 CD ARG A 93 2.405 -1.816 -5.826 1.00 41.43 C ATOM 1315 NE ARG A 93 1.201 -1.550 -6.636 1.00 23.24 N ATOM 1316 CZ ARG A 93 0.191 -0.725 -6.362 1.00 41.03 C ATOM 1317 NH1 ARG A 93 0.237 0.088 -5.316 1.00 41.43 N ATOM 1318 NH2 ARG A 93 -0.860 -0.743 -7.159 1.00 54.42 N ATOM 0 H ARG A 93 5.895 -1.391 -5.118 1.00 73.22 H new ATOM 0 HA ARG A 93 3.842 -3.046 -3.950 1.00 31.55 H new ATOM 0 HB2 ARG A 93 5.273 -2.605 -6.504 1.00 53.43 H new ATOM 0 HB3 ARG A 93 4.862 -4.282 -6.202 1.00 53.43 H new ATOM 0 HG2 ARG A 93 3.204 -2.834 -7.529 1.00 75.10 H new ATOM 0 HG3 ARG A 93 2.578 -3.898 -6.286 1.00 75.10 H new ATOM 0 HD2 ARG A 93 2.126 -2.048 -4.798 1.00 41.43 H new ATOM 0 HD3 ARG A 93 3.041 -0.932 -5.792 1.00 41.43 H new ATOM 0 HE ARG A 93 1.133 -2.062 -7.516 1.00 23.24 H new ATOM 0 HH11 ARG A 93 1.055 0.089 -4.706 1.00 41.43 H new ATOM 0 HH12 ARG A 93 -0.545 0.713 -5.121 1.00 41.43 H new ATOM 0 HH21 ARG A 93 -0.883 -1.376 -7.958 1.00 54.42 H new ATOM 0 HH22 ARG A 93 -1.649 -0.124 -6.976 1.00 54.42 H new ATOM 1329 N ALA A 94 6.910 -4.291 -4.216 1.00 62.31 N ATOM 1330 CA ALA A 94 7.789 -5.325 -3.672 1.00 64.42 C ATOM 1331 C ALA A 94 8.080 -5.092 -2.183 1.00 52.04 C ATOM 1332 O ALA A 94 8.200 -6.039 -1.418 1.00 1.01 O ATOM 1333 CB ALA A 94 9.091 -5.360 -4.475 1.00 21.43 C ATOM 0 H ALA A 94 7.352 -3.696 -4.917 1.00 62.31 H new ATOM 0 HA ALA A 94 7.284 -6.287 -3.756 1.00 64.42 H new ATOM 0 HB1 ALA A 94 9.747 -6.130 -4.070 1.00 21.43 H new ATOM 0 HB2 ALA A 94 8.869 -5.584 -5.518 1.00 21.43 H new ATOM 0 HB3 ALA A 94 9.585 -4.391 -4.409 1.00 21.43 H new ATOM 1339 N THR A 95 8.167 -3.833 -1.773 1.00 3.33 N ATOM 1340 CA THR A 95 8.564 -3.395 -0.442 1.00 53.03 C ATOM 1341 C THR A 95 7.420 -3.601 0.547 1.00 60.24 C ATOM 1342 O THR A 95 7.654 -4.122 1.633 1.00 53.21 O ATOM 1343 CB THR A 95 8.986 -1.922 -0.539 1.00 71.52 C ATOM 1344 OG1 THR A 95 10.018 -1.843 -1.507 1.00 51.14 O ATOM 1345 CG2 THR A 95 9.467 -1.320 0.779 1.00 21.54 C ATOM 0 H THR A 95 7.952 -3.051 -2.391 1.00 3.33 H new ATOM 0 HA THR A 95 9.404 -3.983 -0.072 1.00 53.03 H new ATOM 0 HB THR A 95 8.108 -1.340 -0.817 1.00 71.52 H new ATOM 0 HG1 THR A 95 9.832 -1.105 -2.124 1.00 51.14 H new ATOM 0 HG21 THR A 95 9.746 -0.278 0.623 1.00 21.54 H new ATOM 0 HG22 THR A 95 8.667 -1.375 1.517 1.00 21.54 H new ATOM 0 HG23 THR A 95 10.332 -1.877 1.139 1.00 21.54 H new ATOM 1353 N ALA A 96 6.170 -3.280 0.171 1.00 32.15 N ATOM 1354 CA ALA A 96 5.037 -3.309 1.099 1.00 14.24 C ATOM 1355 C ALA A 96 4.802 -4.702 1.684 1.00 11.42 C ATOM 1356 O ALA A 96 4.160 -4.827 2.724 1.00 23.51 O ATOM 1357 CB ALA A 96 3.763 -2.826 0.413 1.00 41.24 C ATOM 0 H ALA A 96 5.923 -2.996 -0.777 1.00 32.15 H new ATOM 0 HA ALA A 96 5.289 -2.637 1.919 1.00 14.24 H new ATOM 0 HB1 ALA A 96 2.935 -2.856 1.121 1.00 41.24 H new ATOM 0 HB2 ALA A 96 3.904 -1.804 0.062 1.00 41.24 H new ATOM 0 HB3 ALA A 96 3.539 -3.473 -0.435 1.00 41.24 H new ATOM 1363 N ARG A 97 5.286 -5.727 0.984 1.00 60.43 N ATOM 1364 CA ARG A 97 5.336 -7.126 1.371 1.00 42.01 C ATOM 1365 C ARG A 97 6.284 -7.336 2.556 1.00 41.20 C ATOM 1366 O ARG A 97 5.861 -7.821 3.598 1.00 71.30 O ATOM 1367 CB ARG A 97 5.796 -7.908 0.132 1.00 75.24 C ATOM 1368 CG ARG A 97 4.626 -8.463 -0.685 1.00 51.10 C ATOM 1369 CD ARG A 97 5.164 -9.232 -1.896 1.00 44.14 C ATOM 1370 NE ARG A 97 4.133 -10.085 -2.510 1.00 4.21 N ATOM 1371 CZ ARG A 97 3.285 -9.745 -3.492 1.00 13.34 C ATOM 1372 NH1 ARG A 97 3.286 -8.516 -4.001 1.00 0.24 N ATOM 1373 NH2 ARG A 97 2.422 -10.635 -3.960 1.00 20.25 N ATOM 0 H ARG A 97 5.685 -5.582 0.056 1.00 60.43 H new ATOM 0 HA ARG A 97 4.359 -7.476 1.702 1.00 42.01 H new ATOM 0 HB2 ARG A 97 6.399 -7.256 -0.501 1.00 75.24 H new ATOM 0 HB3 ARG A 97 6.438 -8.731 0.445 1.00 75.24 H new ATOM 0 HG2 ARG A 97 4.016 -9.121 -0.065 1.00 51.10 H new ATOM 0 HG3 ARG A 97 3.981 -7.649 -1.016 1.00 51.10 H new ATOM 0 HD2 ARG A 97 5.538 -8.526 -2.637 1.00 44.14 H new ATOM 0 HD3 ARG A 97 6.008 -9.849 -1.588 1.00 44.14 H new ATOM 0 HE ARG A 97 4.055 -11.036 -2.150 1.00 4.21 H new ATOM 0 HH11 ARG A 97 3.938 -7.817 -3.645 1.00 0.24 H new ATOM 0 HH12 ARG A 97 2.635 -8.273 -4.748 1.00 0.24 H new ATOM 0 HH21 ARG A 97 2.403 -11.579 -3.573 1.00 20.25 H new ATOM 0 HH22 ARG A 97 1.777 -10.376 -4.707 1.00 20.25 H new ATOM 1384 N GLU A 98 7.558 -6.970 2.428 1.00 64.21 N ATOM 1385 CA GLU A 98 8.531 -7.071 3.517 1.00 33.23 C ATOM 1386 C GLU A 98 8.104 -6.184 4.697 1.00 3.12 C ATOM 1387 O GLU A 98 8.134 -6.614 5.851 1.00 0.44 O ATOM 1388 CB GLU A 98 9.915 -6.716 2.951 1.00 54.33 C ATOM 1389 CG GLU A 98 11.019 -6.501 3.993 1.00 33.31 C ATOM 1390 CD GLU A 98 11.247 -7.652 4.982 1.00 64.43 C ATOM 1391 OE1 GLU A 98 10.923 -8.831 4.689 1.00 34.34 O ATOM 1392 OE2 GLU A 98 11.850 -7.362 6.037 1.00 23.41 O ATOM 0 H GLU A 98 7.947 -6.594 1.564 1.00 64.21 H new ATOM 0 HA GLU A 98 8.580 -8.085 3.915 1.00 33.23 H new ATOM 0 HB2 GLU A 98 10.227 -7.512 2.276 1.00 54.33 H new ATOM 0 HB3 GLU A 98 9.822 -5.809 2.353 1.00 54.33 H new ATOM 0 HG2 GLU A 98 11.955 -6.310 3.467 1.00 33.31 H new ATOM 0 HG3 GLU A 98 10.784 -5.601 4.562 1.00 33.31 H new ATOM 1397 N GLN A 99 7.602 -4.981 4.396 1.00 0.24 N ATOM 1398 CA GLN A 99 6.981 -4.044 5.331 1.00 52.41 C ATOM 1399 C GLN A 99 5.722 -4.584 6.039 1.00 64.50 C ATOM 1400 O GLN A 99 5.032 -3.833 6.729 1.00 15.05 O ATOM 1401 CB GLN A 99 6.642 -2.753 4.581 1.00 15.24 C ATOM 1402 CG GLN A 99 7.734 -1.702 4.579 1.00 32.43 C ATOM 1403 CD GLN A 99 7.129 -0.305 4.736 1.00 41.04 C ATOM 1404 OE1 GLN A 99 6.387 -0.043 5.677 1.00 43.42 O ATOM 1405 NE2 GLN A 99 7.352 0.620 3.824 1.00 0.02 N ATOM 0 H GLN A 99 7.620 -4.619 3.443 1.00 0.24 H new ATOM 0 HA GLN A 99 7.707 -3.869 6.125 1.00 52.41 H new ATOM 0 HB2 GLN A 99 6.400 -3.004 3.548 1.00 15.24 H new ATOM 0 HB3 GLN A 99 5.744 -2.320 5.022 1.00 15.24 H new ATOM 0 HG2 GLN A 99 8.435 -1.895 5.391 1.00 32.43 H new ATOM 0 HG3 GLN A 99 8.300 -1.758 3.649 1.00 32.43 H new ATOM 0 HE21 GLN A 99 7.966 0.420 3.035 1.00 0.02 H new ATOM 0 HE22 GLN A 99 6.910 1.536 3.908 1.00 0.02 H new ATOM 1412 N ILE A 100 5.342 -5.840 5.830 1.00 3.45 N ATOM 1413 CA ILE A 100 4.406 -6.523 6.713 1.00 4.43 C ATOM 1414 C ILE A 100 5.143 -6.917 7.988 1.00 63.32 C ATOM 1415 O ILE A 100 4.878 -6.304 9.016 1.00 31.22 O ATOM 1416 CB ILE A 100 3.646 -7.651 5.979 1.00 53.31 C ATOM 1417 CG1 ILE A 100 2.891 -7.092 4.743 1.00 0.14 C ATOM 1418 CG2 ILE A 100 2.634 -8.344 6.909 1.00 54.20 C ATOM 1419 CD1 ILE A 100 2.192 -5.761 5.006 1.00 21.35 C ATOM 0 H ILE A 100 5.672 -6.409 5.050 1.00 3.45 H new ATOM 0 HA ILE A 100 3.598 -5.861 7.025 1.00 4.43 H new ATOM 0 HB ILE A 100 4.389 -8.380 5.656 1.00 53.31 H new ATOM 0 HG12 ILE A 100 3.597 -6.966 3.922 1.00 0.14 H new ATOM 0 HG13 ILE A 100 2.151 -7.824 4.418 1.00 0.14 H new ATOM 0 HG21 ILE A 100 2.117 -9.132 6.361 1.00 54.20 H new ATOM 0 HG22 ILE A 100 3.160 -8.778 7.760 1.00 54.20 H new ATOM 0 HG23 ILE A 100 1.908 -7.613 7.266 1.00 54.20 H new ATOM 0 HD11 ILE A 100 1.685 -5.431 4.099 1.00 21.35 H new ATOM 0 HD12 ILE A 100 1.461 -5.885 5.805 1.00 21.35 H new ATOM 0 HD13 ILE A 100 2.930 -5.015 5.302 1.00 21.35 H new ATOM 1430 N ILE A 101 6.073 -7.873 7.959 1.00 73.23 N ATOM 1431 CA ILE A 101 6.750 -8.313 9.173 1.00 53.13 C ATOM 1432 C ILE A 101 7.584 -7.166 9.754 1.00 42.12 C ATOM 1433 O ILE A 101 7.676 -7.040 10.973 1.00 53.11 O ATOM 1434 CB ILE A 101 7.581 -9.580 8.915 1.00 1.44 C ATOM 1435 CG1 ILE A 101 6.755 -10.694 8.243 1.00 40.31 C ATOM 1436 CG2 ILE A 101 8.166 -10.123 10.229 1.00 72.42 C ATOM 1437 CD1 ILE A 101 5.450 -11.114 8.920 1.00 1.24 C ATOM 0 H ILE A 101 6.371 -8.354 7.110 1.00 73.23 H new ATOM 0 HA ILE A 101 6.004 -8.585 9.920 1.00 53.13 H new ATOM 0 HB ILE A 101 8.384 -9.289 8.238 1.00 1.44 H new ATOM 0 HG12 ILE A 101 6.519 -10.372 7.229 1.00 40.31 H new ATOM 0 HG13 ILE A 101 7.388 -11.577 8.158 1.00 40.31 H new ATOM 0 HG21 ILE A 101 8.751 -11.020 10.024 1.00 72.42 H new ATOM 0 HG22 ILE A 101 8.808 -9.367 10.681 1.00 72.42 H new ATOM 0 HG23 ILE A 101 7.355 -10.368 10.915 1.00 72.42 H new ATOM 0 HD11 ILE A 101 4.976 -11.904 8.338 1.00 1.24 H new ATOM 0 HD12 ILE A 101 5.663 -11.481 9.924 1.00 1.24 H new ATOM 0 HD13 ILE A 101 4.780 -10.257 8.981 1.00 1.24 H new ATOM 1448 N SER A 102 8.153 -6.301 8.912 1.00 71.11 N ATOM 1449 CA SER A 102 8.922 -5.136 9.347 1.00 3.04 C ATOM 1450 C SER A 102 8.071 -4.123 10.150 1.00 75.23 C ATOM 1451 O SER A 102 8.642 -3.272 10.823 1.00 3.25 O ATOM 1452 CB SER A 102 9.639 -4.569 8.103 1.00 31.55 C ATOM 1453 OG SER A 102 9.940 -3.188 8.129 1.00 62.20 O ATOM 0 H SER A 102 8.091 -6.392 7.898 1.00 71.11 H new ATOM 0 HA SER A 102 9.683 -5.416 10.075 1.00 3.04 H new ATOM 0 HB2 SER A 102 10.569 -5.119 7.964 1.00 31.55 H new ATOM 0 HB3 SER A 102 9.018 -4.767 7.230 1.00 31.55 H new ATOM 0 HG SER A 102 10.392 -2.936 7.297 1.00 62.20 H new ATOM 1458 N GLU A 103 6.737 -4.228 10.146 1.00 2.11 N ATOM 1459 CA GLU A 103 5.819 -3.385 10.920 1.00 64.13 C ATOM 1460 C GLU A 103 5.348 -4.070 12.213 1.00 71.31 C ATOM 1461 O GLU A 103 4.809 -3.403 13.100 1.00 63.50 O ATOM 1462 CB GLU A 103 4.644 -3.050 9.978 1.00 73.41 C ATOM 1463 CG GLU A 103 3.322 -2.549 10.577 1.00 40.02 C ATOM 1464 CD GLU A 103 3.377 -1.173 11.246 1.00 61.24 C ATOM 1465 OE1 GLU A 103 3.976 -0.228 10.691 1.00 32.52 O ATOM 1466 OE2 GLU A 103 2.636 -0.986 12.242 1.00 34.13 O ATOM 0 H GLU A 103 6.250 -4.927 9.584 1.00 2.11 H new ATOM 0 HA GLU A 103 6.319 -2.477 11.256 1.00 64.13 H new ATOM 0 HB2 GLU A 103 4.993 -2.294 9.275 1.00 73.41 H new ATOM 0 HB3 GLU A 103 4.423 -3.946 9.398 1.00 73.41 H new ATOM 0 HG2 GLU A 103 2.574 -2.518 9.785 1.00 40.02 H new ATOM 0 HG3 GLU A 103 2.978 -3.277 11.312 1.00 40.02 H new ATOM 1471 N ILE A 104 5.474 -5.395 12.313 1.00 54.14 N ATOM 1472 CA ILE A 104 4.987 -6.145 13.474 1.00 54.34 C ATOM 1473 C ILE A 104 5.940 -5.896 14.631 1.00 24.31 C ATOM 1474 O ILE A 104 5.473 -5.524 15.728 1.00 22.14 O ATOM 1475 CB ILE A 104 4.796 -7.647 13.151 1.00 42.02 C ATOM 1476 CG1 ILE A 104 3.845 -7.839 11.948 1.00 22.24 C ATOM 1477 CG2 ILE A 104 4.207 -8.362 14.379 1.00 42.13 C ATOM 1478 CD1 ILE A 104 3.730 -9.282 11.447 1.00 20.34 C ATOM 0 H ILE A 104 5.913 -5.975 11.598 1.00 54.14 H new ATOM 0 HA ILE A 104 3.994 -5.795 13.758 1.00 54.34 H new ATOM 0 HB ILE A 104 5.768 -8.070 12.897 1.00 42.02 H new ATOM 0 HG12 ILE A 104 2.852 -7.485 12.227 1.00 22.24 H new ATOM 0 HG13 ILE A 104 4.188 -7.210 11.127 1.00 22.24 H new ATOM 0 HG21 ILE A 104 4.072 -9.420 14.154 1.00 42.13 H new ATOM 0 HG22 ILE A 104 4.888 -8.255 15.224 1.00 42.13 H new ATOM 0 HG23 ILE A 104 3.244 -7.919 14.631 1.00 42.13 H new ATOM 0 HD11 ILE A 104 3.042 -9.320 10.602 1.00 20.34 H new ATOM 0 HD12 ILE A 104 4.711 -9.637 11.132 1.00 20.34 H new ATOM 0 HD13 ILE A 104 3.355 -9.917 12.249 1.00 20.34 H new