USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=8 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+ 157:sc= 0 (180deg=-0.328) USER MOD Single : A 17 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.1 K(o=-0.1,f=-3.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00056 K(o=-0.00056,f=-0.96) 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 135:sc= 1.29 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 137:sc= -0.0051 (180deg=-2.03!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 82:sc= 0.108 USER MOD Single : A 99 GLN : amide:sc= -3.77! K(o=-3.8!,f=-0.19) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 0.972 -16.508 9.907 1.00 73.34 N ATOM 190 CA LYS A 14 -0.307 -16.016 9.428 1.00 73.42 C ATOM 191 C LYS A 14 -0.157 -15.366 8.054 1.00 41.20 C ATOM 192 O LYS A 14 -0.957 -15.624 7.159 1.00 53.00 O ATOM 193 CB LYS A 14 -0.878 -15.039 10.464 1.00 30.41 C ATOM 194 CG LYS A 14 -2.354 -14.784 10.153 1.00 54.12 C ATOM 195 CD LYS A 14 -2.973 -13.758 11.094 1.00 41.44 C ATOM 196 CE LYS A 14 -3.419 -14.314 12.444 1.00 44.20 C ATOM 197 NZ LYS A 14 -2.372 -14.295 13.479 1.00 34.23 N ATOM 0 HA LYS A 14 -1.003 -16.846 9.307 1.00 73.42 H new ATOM 0 HB2 LYS A 14 -0.771 -15.451 11.468 1.00 30.41 H new ATOM 0 HB3 LYS A 14 -0.322 -14.102 10.443 1.00 30.41 H new ATOM 0 HG2 LYS A 14 -2.452 -14.436 9.125 1.00 54.12 H new ATOM 0 HG3 LYS A 14 -2.906 -15.721 10.227 1.00 54.12 H new ATOM 0 HD2 LYS A 14 -2.250 -12.961 11.266 1.00 41.44 H new ATOM 0 HD3 LYS A 14 -3.834 -13.306 10.601 1.00 41.44 H new ATOM 0 HE2 LYS A 14 -4.274 -13.738 12.797 1.00 44.20 H new ATOM 0 HE3 LYS A 14 -3.761 -15.340 12.307 1.00 44.20 H new ATOM 0 HZ1 LYS A 14 -2.814 -14.306 14.420 1.00 34.23 H new ATOM 0 HZ2 LYS A 14 -1.764 -15.132 13.373 1.00 34.23 H new ATOM 0 HZ3 LYS A 14 -1.798 -13.434 13.376 1.00 34.23 H new ATOM 207 N PHE A 15 0.863 -14.530 7.883 1.00 2.42 N ATOM 208 CA PHE A 15 1.067 -13.788 6.653 1.00 63.11 C ATOM 209 C PHE A 15 1.732 -14.671 5.604 1.00 30.15 C ATOM 210 O PHE A 15 1.298 -14.672 4.458 1.00 1.41 O ATOM 211 CB PHE A 15 1.853 -12.508 6.957 1.00 51.24 C ATOM 212 CG PHE A 15 1.156 -11.663 8.007 1.00 64.51 C ATOM 213 CD1 PHE A 15 -0.001 -10.925 7.670 1.00 54.20 C ATOM 214 CD2 PHE A 15 1.596 -11.718 9.346 1.00 1.25 C ATOM 215 CE1 PHE A 15 -0.692 -10.234 8.683 1.00 51.42 C ATOM 216 CE2 PHE A 15 0.869 -11.060 10.352 1.00 11.14 C ATOM 217 CZ PHE A 15 -0.275 -10.314 10.022 1.00 42.31 C ATOM 0 H PHE A 15 1.569 -14.351 8.597 1.00 2.42 H new ATOM 0 HA PHE A 15 0.109 -13.485 6.229 1.00 63.11 H new ATOM 0 HB2 PHE A 15 2.853 -12.768 7.303 1.00 51.24 H new ATOM 0 HB3 PHE A 15 1.973 -11.928 6.042 1.00 51.24 H new ATOM 0 HD1 PHE A 15 -0.350 -10.892 6.649 1.00 54.20 H new ATOM 0 HD2 PHE A 15 2.492 -12.266 9.598 1.00 1.25 H new ATOM 0 HE1 PHE A 15 -1.554 -9.635 8.428 1.00 51.42 H new ATOM 0 HE2 PHE A 15 1.190 -11.128 11.381 1.00 11.14 H new ATOM 0 HZ PHE A 15 -0.831 -9.804 10.795 1.00 42.31 H new ATOM 226 N ALA A 16 2.733 -15.474 5.984 1.00 43.04 N ATOM 227 CA ALA A 16 3.427 -16.357 5.054 1.00 34.35 C ATOM 228 C ALA A 16 2.479 -17.379 4.411 1.00 14.21 C ATOM 229 O ALA A 16 2.698 -17.766 3.264 1.00 41.43 O ATOM 230 CB ALA A 16 4.580 -17.063 5.778 1.00 51.03 C ATOM 0 H ALA A 16 3.080 -15.526 6.942 1.00 43.04 H new ATOM 0 HA ALA A 16 3.827 -15.747 4.244 1.00 34.35 H new ATOM 0 HB1 ALA A 16 5.098 -17.723 5.081 1.00 51.03 H new ATOM 0 HB2 ALA A 16 5.279 -16.319 6.161 1.00 51.03 H new ATOM 0 HB3 ALA A 16 4.184 -17.650 6.607 1.00 51.03 H new ATOM 236 N HIS A 17 1.426 -17.814 5.113 1.00 11.32 N ATOM 237 CA HIS A 17 0.400 -18.717 4.586 1.00 3.22 C ATOM 238 C HIS A 17 -0.698 -17.982 3.803 1.00 12.44 C ATOM 239 O HIS A 17 -1.698 -18.603 3.440 1.00 1.12 O ATOM 240 CB HIS A 17 -0.153 -19.610 5.709 1.00 24.11 C ATOM 241 CG HIS A 17 0.825 -20.699 6.074 1.00 42.21 C ATOM 242 ND1 HIS A 17 0.690 -22.046 5.802 1.00 31.45 N ATOM 243 CD2 HIS A 17 2.055 -20.515 6.640 1.00 34.43 C ATOM 244 CE1 HIS A 17 1.813 -22.664 6.208 1.00 10.34 C ATOM 245 NE2 HIS A 17 2.681 -21.762 6.700 1.00 70.13 N ATOM 0 H HIS A 17 1.261 -17.542 6.082 1.00 11.32 H new ATOM 0 HA HIS A 17 0.874 -19.368 3.851 1.00 3.22 H new ATOM 0 HB2 HIS A 17 -0.368 -19.002 6.588 1.00 24.11 H new ATOM 0 HB3 HIS A 17 -1.096 -20.056 5.391 1.00 24.11 H new ATOM 0 HD2 HIS A 17 2.468 -19.576 6.979 1.00 34.43 H new ATOM 0 HE1 HIS A 17 1.992 -23.727 6.148 1.00 10.34 H new ATOM 0 HE2 HIS A 17 3.620 -21.953 7.051 1.00 70.13 H new ATOM 252 N ASP A 18 -0.500 -16.703 3.479 1.00 2.43 N ATOM 253 CA ASP A 18 -1.360 -15.879 2.628 1.00 52.11 C ATOM 254 C ASP A 18 -2.766 -15.729 3.228 1.00 45.20 C ATOM 255 O ASP A 18 -2.982 -15.976 4.423 1.00 64.33 O ATOM 256 CB ASP A 18 -1.337 -16.368 1.158 1.00 4.31 C ATOM 257 CG ASP A 18 -0.014 -16.139 0.429 1.00 54.30 C ATOM 258 OD1 ASP A 18 0.875 -15.430 0.949 1.00 31.35 O ATOM 259 OD2 ASP A 18 0.105 -16.631 -0.716 1.00 11.11 O ATOM 0 H ASP A 18 0.309 -16.186 3.822 1.00 2.43 H new ATOM 0 HA ASP A 18 -0.955 -14.868 2.598 1.00 52.11 H new ATOM 0 HB2 ASP A 18 -1.566 -17.434 1.140 1.00 4.31 H new ATOM 0 HB3 ASP A 18 -2.131 -15.862 0.609 1.00 4.31 H new ATOM 263 N ALA A 19 -3.709 -15.244 2.414 1.00 41.22 N ATOM 264 CA ALA A 19 -4.999 -14.667 2.772 1.00 25.51 C ATOM 265 C ALA A 19 -4.782 -13.391 3.582 1.00 30.51 C ATOM 266 O ALA A 19 -4.894 -12.302 3.032 1.00 24.54 O ATOM 267 CB ALA A 19 -5.947 -15.686 3.426 1.00 32.11 C ATOM 0 H ALA A 19 -3.573 -15.248 1.403 1.00 41.22 H new ATOM 0 HA ALA A 19 -5.525 -14.381 1.861 1.00 25.51 H new ATOM 0 HB1 ALA A 19 -6.891 -15.200 3.671 1.00 32.11 H new ATOM 0 HB2 ALA A 19 -6.131 -16.508 2.734 1.00 32.11 H new ATOM 0 HB3 ALA A 19 -5.492 -16.074 4.337 1.00 32.11 H new ATOM 273 N GLU A 20 -4.394 -13.502 4.849 1.00 43.44 N ATOM 274 CA GLU A 20 -4.220 -12.358 5.741 1.00 74.52 C ATOM 275 C GLU A 20 -3.260 -11.326 5.124 1.00 65.34 C ATOM 276 O GLU A 20 -3.536 -10.124 5.124 1.00 50.22 O ATOM 277 CB GLU A 20 -3.690 -12.883 7.082 1.00 62.54 C ATOM 278 CG GLU A 20 -3.646 -11.806 8.171 1.00 22.31 C ATOM 279 CD GLU A 20 -4.956 -11.595 8.934 1.00 52.22 C ATOM 280 OE1 GLU A 20 -5.691 -12.559 9.247 1.00 30.55 O ATOM 281 OE2 GLU A 20 -5.149 -10.451 9.406 1.00 22.25 O ATOM 0 H GLU A 20 -4.189 -14.398 5.291 1.00 43.44 H new ATOM 0 HA GLU A 20 -5.172 -11.849 5.895 1.00 74.52 H new ATOM 0 HB2 GLU A 20 -4.320 -13.706 7.418 1.00 62.54 H new ATOM 0 HB3 GLU A 20 -2.688 -13.287 6.937 1.00 62.54 H new ATOM 0 HG2 GLU A 20 -2.866 -12.067 8.886 1.00 22.31 H new ATOM 0 HG3 GLU A 20 -3.355 -10.861 7.713 1.00 22.31 H new ATOM 286 N LEU A 21 -2.137 -11.796 4.568 1.00 14.05 N ATOM 287 CA LEU A 21 -1.150 -10.950 3.900 1.00 32.11 C ATOM 288 C LEU A 21 -1.741 -10.236 2.695 1.00 32.35 C ATOM 289 O LEU A 21 -1.562 -9.030 2.520 1.00 24.53 O ATOM 290 CB LEU A 21 0.043 -11.820 3.467 1.00 13.01 C ATOM 291 CG LEU A 21 1.131 -11.087 2.662 1.00 70.41 C ATOM 292 CD1 LEU A 21 1.638 -9.851 3.403 1.00 32.12 C ATOM 293 CD2 LEU A 21 2.307 -12.030 2.394 1.00 2.35 C ATOM 0 H LEU A 21 -1.889 -12.785 4.571 1.00 14.05 H new ATOM 0 HA LEU A 21 -0.822 -10.183 4.601 1.00 32.11 H new ATOM 0 HB2 LEU A 21 0.501 -12.250 4.358 1.00 13.01 H new ATOM 0 HB3 LEU A 21 -0.332 -12.650 2.869 1.00 13.01 H new ATOM 0 HG LEU A 21 0.686 -10.767 1.720 1.00 70.41 H new ATOM 0 HD11 LEU A 21 2.405 -9.358 2.806 1.00 32.12 H new ATOM 0 HD12 LEU A 21 0.810 -9.162 3.571 1.00 32.12 H new ATOM 0 HD13 LEU A 21 2.061 -10.150 4.362 1.00 32.12 H new ATOM 0 HD21 LEU A 21 3.073 -11.504 1.824 1.00 2.35 H new ATOM 0 HD22 LEU A 21 2.727 -12.366 3.342 1.00 2.35 H new ATOM 0 HD23 LEU A 21 1.960 -12.892 1.825 1.00 2.35 H new ATOM 304 N ASN A 22 -2.457 -11.002 1.880 1.00 34.34 N ATOM 305 CA ASN A 22 -3.052 -10.558 0.618 1.00 12.21 C ATOM 306 C ASN A 22 -3.927 -9.337 0.876 1.00 44.40 C ATOM 307 O ASN A 22 -3.961 -8.411 0.068 1.00 24.13 O ATOM 308 CB ASN A 22 -3.885 -11.670 -0.061 1.00 71.42 C ATOM 309 CG ASN A 22 -3.083 -12.909 -0.441 1.00 41.12 C ATOM 310 OD1 ASN A 22 -2.123 -13.272 0.229 1.00 5.34 O ATOM 311 ND2 ASN A 22 -3.412 -13.594 -1.521 1.00 45.34 N ATOM 0 H ASN A 22 -2.648 -11.983 2.084 1.00 34.34 H new ATOM 0 HA ASN A 22 -2.240 -10.304 -0.063 1.00 12.21 H new ATOM 0 HB2 ASN A 22 -4.692 -11.965 0.610 1.00 71.42 H new ATOM 0 HB3 ASN A 22 -4.350 -11.263 -0.959 1.00 71.42 H new ATOM 0 HD21 ASN A 22 -2.869 -14.415 -1.789 1.00 45.34 H new ATOM 0 HD22 ASN A 22 -4.209 -13.302 -2.087 1.00 45.34 H new ATOM 317 N PHE A 23 -4.613 -9.330 2.017 1.00 2.34 N ATOM 318 CA PHE A 23 -5.473 -8.249 2.456 1.00 4.15 C ATOM 319 C PHE A 23 -4.646 -7.079 2.995 1.00 21.32 C ATOM 320 O PHE A 23 -4.796 -5.949 2.528 1.00 11.24 O ATOM 321 CB PHE A 23 -6.440 -8.808 3.507 1.00 41.33 C ATOM 322 CG PHE A 23 -7.663 -9.476 2.894 1.00 73.40 C ATOM 323 CD1 PHE A 23 -7.548 -10.639 2.105 1.00 65.30 C ATOM 324 CD2 PHE A 23 -8.933 -8.902 3.073 1.00 5.15 C ATOM 325 CE1 PHE A 23 -8.680 -11.225 1.516 1.00 61.54 C ATOM 326 CE2 PHE A 23 -10.052 -9.452 2.426 1.00 24.21 C ATOM 327 CZ PHE A 23 -9.935 -10.625 1.669 1.00 14.04 C ATOM 0 H PHE A 23 -4.580 -10.106 2.679 1.00 2.34 H new ATOM 0 HA PHE A 23 -6.047 -7.854 1.618 1.00 4.15 H new ATOM 0 HB2 PHE A 23 -5.913 -9.530 4.130 1.00 41.33 H new ATOM 0 HB3 PHE A 23 -6.764 -7.999 4.161 1.00 41.33 H new ATOM 0 HD1 PHE A 23 -6.576 -11.085 1.952 1.00 65.30 H new ATOM 0 HD2 PHE A 23 -9.049 -8.037 3.709 1.00 5.15 H new ATOM 0 HE1 PHE A 23 -8.582 -12.137 0.946 1.00 61.54 H new ATOM 0 HE2 PHE A 23 -11.012 -8.966 2.513 1.00 24.21 H new ATOM 0 HZ PHE A 23 -10.807 -11.063 1.207 1.00 14.04 H new ATOM 336 N LYS A 24 -3.793 -7.308 4.002 1.00 1.14 N ATOM 337 CA LYS A 24 -3.091 -6.211 4.685 1.00 21.21 C ATOM 338 C LYS A 24 -2.214 -5.428 3.702 1.00 62.14 C ATOM 339 O LYS A 24 -2.206 -4.196 3.715 1.00 64.54 O ATOM 340 CB LYS A 24 -2.267 -6.740 5.875 1.00 70.30 C ATOM 341 CG LYS A 24 -3.098 -7.469 6.953 1.00 4.01 C ATOM 342 CD LYS A 24 -2.981 -6.846 8.355 1.00 44.21 C ATOM 343 CE LYS A 24 -3.887 -7.607 9.334 1.00 65.44 C ATOM 344 NZ LYS A 24 -3.761 -7.144 10.735 1.00 54.43 N ATOM 0 H LYS A 24 -3.572 -8.237 4.361 1.00 1.14 H new ATOM 0 HA LYS A 24 -3.839 -5.524 5.081 1.00 21.21 H new ATOM 0 HB2 LYS A 24 -1.505 -7.422 5.499 1.00 70.30 H new ATOM 0 HB3 LYS A 24 -1.745 -5.904 6.340 1.00 70.30 H new ATOM 0 HG2 LYS A 24 -4.146 -7.469 6.652 1.00 4.01 H new ATOM 0 HG3 LYS A 24 -2.780 -8.510 7.001 1.00 4.01 H new ATOM 0 HD2 LYS A 24 -1.946 -6.885 8.696 1.00 44.21 H new ATOM 0 HD3 LYS A 24 -3.267 -5.795 8.322 1.00 44.21 H new ATOM 0 HE2 LYS A 24 -4.924 -7.500 9.016 1.00 65.44 H new ATOM 0 HE3 LYS A 24 -3.648 -8.669 9.288 1.00 65.44 H new ATOM 0 HZ1 LYS A 24 -4.398 -7.698 11.342 1.00 54.43 H new ATOM 0 HZ2 LYS A 24 -2.780 -7.271 11.056 1.00 54.43 H new ATOM 0 HZ3 LYS A 24 -4.016 -6.138 10.792 1.00 54.43 H new ATOM 354 N ALA A 25 -1.469 -6.127 2.842 1.00 62.42 N ATOM 355 CA ALA A 25 -0.469 -5.520 1.970 1.00 73.31 C ATOM 356 C ALA A 25 -1.079 -4.584 0.920 1.00 30.12 C ATOM 357 O ALA A 25 -0.427 -3.627 0.493 1.00 70.23 O ATOM 358 CB ALA A 25 0.353 -6.633 1.323 1.00 13.14 C ATOM 0 H ALA A 25 -1.546 -7.138 2.733 1.00 62.42 H new ATOM 0 HA ALA A 25 0.178 -4.886 2.576 1.00 73.31 H new ATOM 0 HB1 ALA A 25 1.106 -6.195 0.667 1.00 13.14 H new ATOM 0 HB2 ALA A 25 0.845 -7.220 2.099 1.00 13.14 H new ATOM 0 HB3 ALA A 25 -0.304 -7.279 0.741 1.00 13.14 H new ATOM 364 N GLU A 26 -2.315 -4.831 0.487 1.00 54.14 N ATOM 365 CA GLU A 26 -3.019 -3.990 -0.484 1.00 23.25 C ATOM 366 C GLU A 26 -3.370 -2.636 0.140 1.00 33.44 C ATOM 367 O GLU A 26 -3.103 -1.583 -0.442 1.00 41.21 O ATOM 368 CB GLU A 26 -4.313 -4.705 -0.914 1.00 62.32 C ATOM 369 CG GLU A 26 -4.098 -5.838 -1.931 1.00 61.40 C ATOM 370 CD GLU A 26 -4.162 -5.410 -3.403 1.00 3.44 C ATOM 371 OE1 GLU A 26 -4.726 -4.343 -3.730 1.00 22.42 O ATOM 372 OE2 GLU A 26 -3.630 -6.119 -4.279 1.00 3.04 O ATOM 0 H GLU A 26 -2.863 -5.630 0.804 1.00 54.14 H new ATOM 0 HA GLU A 26 -2.376 -3.821 -1.348 1.00 23.25 H new ATOM 0 HB2 GLU A 26 -4.800 -5.114 -0.029 1.00 62.32 H new ATOM 0 HB3 GLU A 26 -4.995 -3.971 -1.343 1.00 62.32 H new ATOM 0 HG2 GLU A 26 -3.126 -6.295 -1.743 1.00 61.40 H new ATOM 0 HG3 GLU A 26 -4.851 -6.608 -1.759 1.00 61.40 H new ATOM 377 N ALA A 27 -3.883 -2.642 1.373 1.00 73.52 N ATOM 378 CA ALA A 27 -4.144 -1.412 2.111 1.00 45.00 C ATOM 379 C ALA A 27 -2.829 -0.652 2.326 1.00 14.34 C ATOM 380 O ALA A 27 -2.755 0.562 2.125 1.00 2.12 O ATOM 381 CB ALA A 27 -4.834 -1.730 3.443 1.00 52.44 C ATOM 0 H ALA A 27 -4.126 -3.493 1.880 1.00 73.52 H new ATOM 0 HA ALA A 27 -4.816 -0.775 1.535 1.00 45.00 H new ATOM 0 HB1 ALA A 27 -5.024 -0.803 3.985 1.00 52.44 H new ATOM 0 HB2 ALA A 27 -5.779 -2.238 3.251 1.00 52.44 H new ATOM 0 HB3 ALA A 27 -4.190 -2.375 4.041 1.00 52.44 H new ATOM 387 N ARG A 28 -1.773 -1.373 2.712 1.00 11.42 N ATOM 388 CA ARG A 28 -0.449 -0.823 2.978 1.00 4.45 C ATOM 389 C ARG A 28 0.120 -0.077 1.768 1.00 63.23 C ATOM 390 O ARG A 28 0.521 1.076 1.912 1.00 53.14 O ATOM 391 CB ARG A 28 0.493 -1.949 3.436 1.00 34.22 C ATOM 392 CG ARG A 28 1.244 -1.659 4.733 1.00 73.53 C ATOM 393 CD ARG A 28 0.347 -1.704 5.977 1.00 25.52 C ATOM 394 NE ARG A 28 1.170 -2.012 7.152 1.00 63.41 N ATOM 395 CZ ARG A 28 0.782 -2.434 8.355 1.00 52.22 C ATOM 396 NH1 ARG A 28 -0.485 -2.379 8.750 1.00 31.31 N ATOM 397 NH2 ARG A 28 1.690 -2.911 9.193 1.00 50.10 N ATOM 0 H ARG A 28 -1.821 -2.382 2.851 1.00 11.42 H new ATOM 0 HA ARG A 28 -0.539 -0.087 3.777 1.00 4.45 H new ATOM 0 HB2 ARG A 28 -0.088 -2.862 3.564 1.00 34.22 H new ATOM 0 HB3 ARG A 28 1.219 -2.142 2.646 1.00 34.22 H new ATOM 0 HG2 ARG A 28 2.050 -2.384 4.848 1.00 73.53 H new ATOM 0 HG3 ARG A 28 1.708 -0.675 4.664 1.00 73.53 H new ATOM 0 HD2 ARG A 28 -0.157 -0.747 6.112 1.00 25.52 H new ATOM 0 HD3 ARG A 28 -0.429 -2.459 5.854 1.00 25.52 H new ATOM 0 HE ARG A 28 2.175 -1.886 7.032 1.00 63.41 H new ATOM 0 HH11 ARG A 28 -1.198 -2.004 8.125 1.00 31.31 H new ATOM 0 HH12 ARG A 28 -0.745 -2.712 9.679 1.00 31.31 H new ATOM 0 HH21 ARG A 28 2.670 -2.951 8.914 1.00 50.10 H new ATOM 0 HH22 ARG A 28 1.409 -3.238 10.117 1.00 50.10 H new ATOM 408 N ARG A 29 0.138 -0.675 0.566 1.00 1.41 N ATOM 409 CA ARG A 29 0.698 0.008 -0.612 1.00 11.41 C ATOM 410 C ARG A 29 -0.018 1.323 -0.895 1.00 61.51 C ATOM 411 O ARG A 29 0.651 2.305 -1.224 1.00 51.32 O ATOM 412 CB ARG A 29 0.753 -0.920 -1.853 1.00 53.31 C ATOM 413 CG ARG A 29 -0.543 -1.541 -2.409 1.00 54.12 C ATOM 414 CD ARG A 29 -1.415 -0.697 -3.356 1.00 10.33 C ATOM 415 NE ARG A 29 -2.664 -1.403 -3.709 1.00 62.40 N ATOM 416 CZ ARG A 29 -3.466 -1.173 -4.760 1.00 31.45 C ATOM 417 NH1 ARG A 29 -3.242 -0.186 -5.619 1.00 63.33 N ATOM 418 NH2 ARG A 29 -4.510 -1.955 -4.976 1.00 73.42 N ATOM 0 H ARG A 29 -0.221 -1.612 0.385 1.00 1.41 H new ATOM 0 HA ARG A 29 1.732 0.261 -0.376 1.00 11.41 H new ATOM 0 HB2 ARG A 29 1.213 -0.353 -2.662 1.00 53.31 H new ATOM 0 HB3 ARG A 29 1.429 -1.741 -1.614 1.00 53.31 H new ATOM 0 HG2 ARG A 29 -0.273 -2.456 -2.935 1.00 54.12 H new ATOM 0 HG3 ARG A 29 -1.162 -1.832 -1.560 1.00 54.12 H new ATOM 0 HD2 ARG A 29 -1.654 0.255 -2.882 1.00 10.33 H new ATOM 0 HD3 ARG A 29 -0.855 -0.469 -4.263 1.00 10.33 H new ATOM 0 HE ARG A 29 -2.950 -2.153 -3.080 1.00 62.40 H new ATOM 0 HH11 ARG A 29 -2.438 0.428 -5.492 1.00 63.33 H new ATOM 0 HH12 ARG A 29 -3.874 -0.042 -6.406 1.00 63.33 H new ATOM 0 HH21 ARG A 29 -4.705 -2.732 -4.344 1.00 73.42 H new ATOM 0 HH22 ARG A 29 -5.121 -1.782 -5.774 1.00 73.42 H new ATOM 429 N ASN A 30 -1.341 1.372 -0.699 1.00 21.24 N ATOM 430 CA ASN A 30 -2.103 2.597 -0.923 1.00 30.44 C ATOM 431 C ASN A 30 -1.684 3.679 0.078 1.00 54.04 C ATOM 432 O ASN A 30 -1.830 4.863 -0.231 1.00 2.33 O ATOM 433 CB ASN A 30 -3.624 2.358 -0.756 1.00 12.42 C ATOM 434 CG ASN A 30 -4.265 1.441 -1.794 1.00 4.13 C ATOM 435 OD1 ASN A 30 -3.898 1.490 -2.961 1.00 61.12 O ATOM 436 ND2 ASN A 30 -5.236 0.627 -1.410 1.00 34.22 N ATOM 0 H ASN A 30 -1.901 0.578 -0.387 1.00 21.24 H new ATOM 0 HA ASN A 30 -1.895 2.918 -1.944 1.00 30.44 H new ATOM 0 HB2 ASN A 30 -3.801 1.937 0.234 1.00 12.42 H new ATOM 0 HB3 ASN A 30 -4.131 3.323 -0.787 1.00 12.42 H new ATOM 0 HD21 ASN A 30 -5.695 0.023 -2.092 1.00 34.22 H new ATOM 0 HD22 ASN A 30 -5.525 0.603 -0.432 1.00 34.22 H new ATOM 442 N ARG A 31 -1.230 3.319 1.292 1.00 71.51 N ATOM 443 CA ARG A 31 -0.761 4.281 2.300 1.00 10.11 C ATOM 444 C ARG A 31 0.433 4.996 1.734 1.00 24.44 C ATOM 445 O ARG A 31 0.426 6.215 1.646 1.00 63.12 O ATOM 446 CB ARG A 31 -0.427 3.586 3.632 1.00 11.31 C ATOM 447 CG ARG A 31 -0.150 4.530 4.821 1.00 23.13 C ATOM 448 CD ARG A 31 -0.458 3.745 6.104 1.00 10.44 C ATOM 449 NE ARG A 31 0.221 4.239 7.321 1.00 31.32 N ATOM 450 CZ ARG A 31 0.697 3.457 8.302 1.00 23.33 C ATOM 451 NH1 ARG A 31 0.749 2.133 8.141 1.00 4.12 N ATOM 452 NH2 ARG A 31 1.109 3.978 9.450 1.00 33.41 N ATOM 0 H ARG A 31 -1.179 2.348 1.601 1.00 71.51 H new ATOM 0 HA ARG A 31 -1.550 4.999 2.524 1.00 10.11 H new ATOM 0 HB2 ARG A 31 -1.255 2.929 3.897 1.00 11.31 H new ATOM 0 HB3 ARG A 31 0.447 2.952 3.482 1.00 11.31 H new ATOM 0 HG2 ARG A 31 0.888 4.864 4.814 1.00 23.13 H new ATOM 0 HG3 ARG A 31 -0.772 5.422 4.757 1.00 23.13 H new ATOM 0 HD2 ARG A 31 -1.534 3.765 6.274 1.00 10.44 H new ATOM 0 HD3 ARG A 31 -0.179 2.703 5.949 1.00 10.44 H new ATOM 0 HE ARG A 31 0.336 5.247 7.422 1.00 31.32 H new ATOM 0 HH11 ARG A 31 0.426 1.712 7.270 1.00 4.12 H new ATOM 0 HH12 ARG A 31 1.112 1.542 8.889 1.00 4.12 H new ATOM 0 HH21 ARG A 31 1.067 4.986 9.597 1.00 33.41 H new ATOM 0 HH22 ARG A 31 1.468 3.370 10.186 1.00 33.41 H new ATOM 463 N LEU A 32 1.435 4.230 1.314 1.00 42.01 N ATOM 464 CA LEU A 32 2.721 4.783 0.938 1.00 3.22 C ATOM 465 C LEU A 32 2.540 5.742 -0.234 1.00 1.14 C ATOM 466 O LEU A 32 2.934 6.902 -0.139 1.00 41.03 O ATOM 467 CB LEU A 32 3.715 3.669 0.597 1.00 2.35 C ATOM 468 CG LEU A 32 3.843 2.541 1.630 1.00 70.11 C ATOM 469 CD1 LEU A 32 5.165 1.842 1.378 1.00 32.54 C ATOM 470 CD2 LEU A 32 3.802 2.944 3.104 1.00 11.25 C ATOM 0 H LEU A 32 1.374 3.216 1.227 1.00 42.01 H new ATOM 0 HA LEU A 32 3.133 5.337 1.782 1.00 3.22 H new ATOM 0 HB2 LEU A 32 3.424 3.229 -0.357 1.00 2.35 H new ATOM 0 HB3 LEU A 32 4.698 4.118 0.455 1.00 2.35 H new ATOM 0 HG LEU A 32 2.960 1.918 1.485 1.00 70.11 H new ATOM 0 HD11 LEU A 32 5.291 1.032 2.096 1.00 32.54 H new ATOM 0 HD12 LEU A 32 5.175 1.436 0.367 1.00 32.54 H new ATOM 0 HD13 LEU A 32 5.981 2.556 1.490 1.00 32.54 H new ATOM 0 HD21 LEU A 32 3.902 2.055 3.727 1.00 11.25 H new ATOM 0 HD22 LEU A 32 4.622 3.631 3.316 1.00 11.25 H new ATOM 0 HD23 LEU A 32 2.853 3.434 3.321 1.00 11.25 H new ATOM 481 N LEU A 33 1.922 5.265 -1.317 1.00 51.24 N ATOM 482 CA LEU A 33 1.613 6.049 -2.514 1.00 53.40 C ATOM 483 C LEU A 33 0.734 7.277 -2.212 1.00 30.54 C ATOM 484 O LEU A 33 0.870 8.302 -2.873 1.00 62.24 O ATOM 485 CB LEU A 33 0.911 5.115 -3.516 1.00 64.10 C ATOM 486 CG LEU A 33 1.049 5.511 -4.999 1.00 50.41 C ATOM 487 CD1 LEU A 33 2.449 5.242 -5.559 1.00 44.04 C ATOM 488 CD2 LEU A 33 0.132 4.610 -5.811 1.00 53.13 C ATOM 0 H LEU A 33 1.614 4.295 -1.387 1.00 51.24 H new ATOM 0 HA LEU A 33 2.542 6.442 -2.927 1.00 53.40 H new ATOM 0 HB2 LEU A 33 1.309 4.108 -3.388 1.00 64.10 H new ATOM 0 HB3 LEU A 33 -0.149 5.073 -3.266 1.00 64.10 H new ATOM 0 HG LEU A 33 0.819 6.575 -5.064 1.00 50.41 H new ATOM 0 HD11 LEU A 33 2.485 5.541 -6.607 1.00 44.04 H new ATOM 0 HD12 LEU A 33 3.184 5.815 -4.993 1.00 44.04 H new ATOM 0 HD13 LEU A 33 2.676 4.179 -5.477 1.00 44.04 H new ATOM 0 HD21 LEU A 33 0.210 4.869 -6.867 1.00 53.13 H new ATOM 0 HD22 LEU A 33 0.426 3.570 -5.670 1.00 53.13 H new ATOM 0 HD23 LEU A 33 -0.897 4.745 -5.479 1.00 53.13 H new ATOM 499 N GLY A 34 -0.145 7.193 -1.211 1.00 32.13 N ATOM 500 CA GLY A 34 -1.042 8.272 -0.814 1.00 21.42 C ATOM 501 C GLY A 34 -0.314 9.356 -0.024 1.00 72.34 C ATOM 502 O GLY A 34 -0.367 10.522 -0.406 1.00 33.12 O ATOM 0 H GLY A 34 -0.253 6.352 -0.643 1.00 32.13 H new ATOM 0 HA2 GLY A 34 -1.495 8.713 -1.702 1.00 21.42 H new ATOM 0 HA3 GLY A 34 -1.853 7.866 -0.210 1.00 21.42 H new ATOM 506 N GLU A 35 0.368 8.974 1.061 1.00 1.34 N ATOM 507 CA GLU A 35 1.175 9.875 1.886 1.00 42.43 C ATOM 508 C GLU A 35 2.236 10.549 1.000 1.00 74.22 C ATOM 509 O GLU A 35 2.473 11.750 1.125 1.00 12.01 O ATOM 510 CB GLU A 35 1.840 9.106 3.051 1.00 34.55 C ATOM 511 CG GLU A 35 0.896 8.418 4.066 1.00 22.15 C ATOM 512 CD GLU A 35 0.267 9.338 5.125 1.00 11.00 C ATOM 513 OE1 GLU A 35 -0.060 10.503 4.820 1.00 64.51 O ATOM 514 OE2 GLU A 35 -0.009 8.855 6.257 1.00 12.14 O ATOM 0 H GLU A 35 0.374 8.010 1.396 1.00 1.34 H new ATOM 0 HA GLU A 35 0.531 10.638 2.323 1.00 42.43 H new ATOM 0 HB2 GLU A 35 2.493 8.344 2.625 1.00 34.55 H new ATOM 0 HB3 GLU A 35 2.476 9.802 3.598 1.00 34.55 H new ATOM 0 HG2 GLU A 35 0.093 7.930 3.514 1.00 22.15 H new ATOM 0 HG3 GLU A 35 1.454 7.634 4.578 1.00 22.15 H new ATOM 519 N TRP A 36 2.822 9.789 0.061 1.00 12.44 N ATOM 520 CA TRP A 36 3.739 10.276 -0.965 1.00 72.40 C ATOM 521 C TRP A 36 3.112 11.455 -1.718 1.00 54.21 C ATOM 522 O TRP A 36 3.607 12.576 -1.622 1.00 52.24 O ATOM 523 CB TRP A 36 4.139 9.145 -1.937 1.00 73.20 C ATOM 524 CG TRP A 36 4.935 9.601 -3.119 1.00 41.00 C ATOM 525 CD1 TRP A 36 6.089 10.307 -3.080 1.00 33.43 C ATOM 526 CD2 TRP A 36 4.639 9.393 -4.533 1.00 12.43 C ATOM 527 NE1 TRP A 36 6.530 10.532 -4.367 1.00 24.21 N ATOM 528 CE2 TRP A 36 5.687 9.980 -5.303 1.00 71.42 C ATOM 529 CE3 TRP A 36 3.609 8.743 -5.247 1.00 34.33 C ATOM 530 CZ2 TRP A 36 5.714 9.925 -6.705 1.00 33.25 C ATOM 531 CZ3 TRP A 36 3.712 8.559 -6.632 1.00 43.23 C ATOM 532 CH2 TRP A 36 4.717 9.208 -7.366 1.00 70.23 C ATOM 0 H TRP A 36 2.660 8.784 -0.001 1.00 12.44 H new ATOM 0 HA TRP A 36 4.649 10.623 -0.476 1.00 72.40 H new ATOM 0 HB2 TRP A 36 4.717 8.400 -1.390 1.00 73.20 H new ATOM 0 HB3 TRP A 36 3.235 8.650 -2.292 1.00 73.20 H new ATOM 0 HD1 TRP A 36 6.586 10.642 -2.182 1.00 33.43 H new ATOM 0 HE1 TRP A 36 7.380 11.046 -4.597 1.00 24.21 H new ATOM 0 HE3 TRP A 36 2.736 8.385 -4.722 1.00 34.33 H new ATOM 0 HZ2 TRP A 36 6.491 10.428 -7.261 1.00 33.25 H new ATOM 0 HZ3 TRP A 36 3.012 7.912 -7.139 1.00 43.23 H new ATOM 0 HH2 TRP A 36 4.718 9.152 -8.445 1.00 70.23 H new ATOM 542 N ALA A 37 2.021 11.218 -2.453 1.00 41.24 N ATOM 543 CA ALA A 37 1.402 12.233 -3.291 1.00 2.42 C ATOM 544 C ALA A 37 0.916 13.451 -2.496 1.00 74.44 C ATOM 545 O ALA A 37 1.100 14.571 -2.965 1.00 10.03 O ATOM 546 CB ALA A 37 0.283 11.587 -4.098 1.00 53.43 C ATOM 0 H ALA A 37 1.547 10.315 -2.479 1.00 41.24 H new ATOM 0 HA ALA A 37 2.156 12.628 -3.972 1.00 2.42 H new ATOM 0 HB1 ALA A 37 -0.190 12.338 -4.731 1.00 53.43 H new ATOM 0 HB2 ALA A 37 0.695 10.794 -4.722 1.00 53.43 H new ATOM 0 HB3 ALA A 37 -0.459 11.166 -3.419 1.00 53.43 H new ATOM 552 N ALA A 38 0.383 13.275 -1.283 1.00 71.53 N ATOM 553 CA ALA A 38 0.048 14.389 -0.394 1.00 13.24 C ATOM 554 C ALA A 38 1.274 15.295 -0.158 1.00 30.14 C ATOM 555 O ALA A 38 1.146 16.524 -0.162 1.00 73.52 O ATOM 556 CB ALA A 38 -0.503 13.824 0.916 1.00 34.12 C ATOM 0 H ALA A 38 0.172 12.357 -0.891 1.00 71.53 H new ATOM 0 HA ALA A 38 -0.716 15.014 -0.857 1.00 13.24 H new ATOM 0 HB1 ALA A 38 -0.757 14.644 1.588 1.00 34.12 H new ATOM 0 HB2 ALA A 38 -1.396 13.234 0.711 1.00 34.12 H new ATOM 0 HB3 ALA A 38 0.250 13.191 1.385 1.00 34.12 H new ATOM 562 N GLY A 39 2.464 14.697 -0.014 1.00 14.33 N ATOM 563 CA GLY A 39 3.750 15.383 0.109 1.00 51.44 C ATOM 564 C GLY A 39 4.139 16.202 -1.115 1.00 50.11 C ATOM 565 O GLY A 39 4.796 17.237 -1.005 1.00 64.32 O ATOM 0 H GLY A 39 2.557 13.682 0.021 1.00 14.33 H new ATOM 0 HA2 GLY A 39 3.717 16.041 0.977 1.00 51.44 H new ATOM 0 HA3 GLY A 39 4.527 14.643 0.299 1.00 51.44 H new ATOM 569 N LEU A 40 3.739 15.753 -2.298 1.00 4.13 N ATOM 570 CA LEU A 40 4.059 16.409 -3.557 1.00 12.31 C ATOM 571 C LEU A 40 3.144 17.604 -3.767 1.00 74.23 C ATOM 572 O LEU A 40 3.602 18.702 -4.072 1.00 53.34 O ATOM 573 CB LEU A 40 3.881 15.397 -4.688 1.00 30.23 C ATOM 574 CG LEU A 40 4.864 14.225 -4.607 1.00 72.51 C ATOM 575 CD1 LEU A 40 4.517 13.210 -5.703 1.00 21.42 C ATOM 576 CD2 LEU A 40 6.283 14.690 -4.904 1.00 41.30 C ATOM 0 H LEU A 40 3.175 14.911 -2.410 1.00 4.13 H new ATOM 0 HA LEU A 40 5.088 16.767 -3.543 1.00 12.31 H new ATOM 0 HB2 LEU A 40 2.862 15.011 -4.665 1.00 30.23 H new ATOM 0 HB3 LEU A 40 4.008 15.904 -5.644 1.00 30.23 H new ATOM 0 HG LEU A 40 4.797 13.800 -3.606 1.00 72.51 H new ATOM 0 HD11 LEU A 40 5.211 12.371 -5.655 1.00 21.42 H new ATOM 0 HD12 LEU A 40 3.499 12.848 -5.555 1.00 21.42 H new ATOM 0 HD13 LEU A 40 4.594 13.688 -6.679 1.00 21.42 H new ATOM 0 HD21 LEU A 40 6.965 13.842 -4.841 1.00 41.30 H new ATOM 0 HD22 LEU A 40 6.324 15.115 -5.907 1.00 41.30 H new ATOM 0 HD23 LEU A 40 6.578 15.447 -4.177 1.00 41.30 H new ATOM 587 N LEU A 41 1.844 17.382 -3.571 1.00 53.22 N ATOM 588 CA LEU A 41 0.788 18.383 -3.656 1.00 71.42 C ATOM 589 C LEU A 41 0.969 19.479 -2.599 1.00 25.21 C ATOM 590 O LEU A 41 0.366 20.545 -2.719 1.00 50.04 O ATOM 591 CB LEU A 41 -0.556 17.675 -3.457 1.00 42.33 C ATOM 592 CG LEU A 41 -0.896 16.633 -4.544 1.00 14.42 C ATOM 593 CD1 LEU A 41 -1.866 15.600 -3.991 1.00 41.24 C ATOM 594 CD2 LEU A 41 -1.546 17.244 -5.782 1.00 74.22 C ATOM 0 H LEU A 41 1.485 16.456 -3.338 1.00 53.22 H new ATOM 0 HA LEU A 41 0.827 18.866 -4.632 1.00 71.42 H new ATOM 0 HB2 LEU A 41 -0.552 17.180 -2.486 1.00 42.33 H new ATOM 0 HB3 LEU A 41 -1.347 18.425 -3.430 1.00 42.33 H new ATOM 0 HG LEU A 41 0.055 16.186 -4.833 1.00 14.42 H new ATOM 0 HD11 LEU A 41 -2.100 14.869 -4.765 1.00 41.24 H new ATOM 0 HD12 LEU A 41 -1.412 15.094 -3.139 1.00 41.24 H new ATOM 0 HD13 LEU A 41 -2.783 16.096 -3.672 1.00 41.24 H new ATOM 0 HD21 LEU A 41 -1.759 16.458 -6.506 1.00 74.22 H new ATOM 0 HD22 LEU A 41 -2.475 17.738 -5.499 1.00 74.22 H new ATOM 0 HD23 LEU A 41 -0.868 17.973 -6.226 1.00 74.22 H new ATOM 605 N GLY A 42 1.786 19.225 -1.571 1.00 61.12 N ATOM 606 CA GLY A 42 2.106 20.175 -0.522 1.00 44.21 C ATOM 607 C GLY A 42 0.993 20.304 0.494 1.00 5.24 C ATOM 608 O GLY A 42 0.813 21.370 1.083 1.00 10.12 O ATOM 0 H GLY A 42 2.251 18.325 -1.451 1.00 61.12 H new ATOM 0 HA2 GLY A 42 3.021 19.862 -0.018 1.00 44.21 H new ATOM 0 HA3 GLY A 42 2.304 21.150 -0.966 1.00 44.21 H new ATOM 612 N LYS A 43 0.234 19.232 0.708 1.00 73.25 N ATOM 613 CA LYS A 43 -0.835 19.260 1.686 1.00 52.31 C ATOM 614 C LYS A 43 -0.247 19.231 3.092 1.00 73.42 C ATOM 615 O LYS A 43 0.866 18.731 3.282 1.00 34.33 O ATOM 616 CB LYS A 43 -1.786 18.078 1.457 1.00 62.55 C ATOM 617 CG LYS A 43 -2.398 17.999 0.048 1.00 13.11 C ATOM 618 CD LYS A 43 -3.119 19.293 -0.358 1.00 12.23 C ATOM 619 CE LYS A 43 -3.962 19.157 -1.631 1.00 64.20 C ATOM 620 NZ LYS A 43 -4.805 20.355 -1.849 1.00 64.15 N ATOM 0 H LYS A 43 0.343 18.343 0.219 1.00 73.25 H new ATOM 0 HA LYS A 43 -1.408 20.180 1.574 1.00 52.31 H new ATOM 0 HB2 LYS A 43 -1.245 17.152 1.654 1.00 62.55 H new ATOM 0 HB3 LYS A 43 -2.595 18.136 2.185 1.00 62.55 H new ATOM 0 HG2 LYS A 43 -1.610 17.785 -0.674 1.00 13.11 H new ATOM 0 HG3 LYS A 43 -3.102 17.168 0.008 1.00 13.11 H new ATOM 0 HD2 LYS A 43 -3.764 19.611 0.461 1.00 12.23 H new ATOM 0 HD3 LYS A 43 -2.379 20.080 -0.506 1.00 12.23 H new ATOM 0 HE2 LYS A 43 -3.307 19.010 -2.490 1.00 64.20 H new ATOM 0 HE3 LYS A 43 -4.595 18.273 -1.558 1.00 64.20 H new ATOM 0 HZ1 LYS A 43 -5.364 20.233 -2.718 1.00 64.15 H new ATOM 0 HZ2 LYS A 43 -5.446 20.480 -1.040 1.00 64.15 H new ATOM 0 HZ3 LYS A 43 -4.198 21.194 -1.943 1.00 64.15 H new ATOM 630 N THR A 44 -1.019 19.675 4.075 1.00 61.53 N ATOM 631 CA THR A 44 -0.700 19.615 5.500 1.00 62.12 C ATOM 632 C THR A 44 -2.022 19.448 6.256 1.00 63.32 C ATOM 633 O THR A 44 -3.070 19.840 5.737 1.00 32.31 O ATOM 634 CB THR A 44 0.049 20.896 5.944 1.00 41.05 C ATOM 635 OG1 THR A 44 -0.530 22.074 5.401 1.00 73.24 O ATOM 636 CG2 THR A 44 1.524 20.909 5.531 1.00 74.55 C ATOM 0 H THR A 44 -1.926 20.106 3.895 1.00 61.53 H new ATOM 0 HA THR A 44 -0.039 18.775 5.716 1.00 62.12 H new ATOM 0 HB THR A 44 -0.034 20.884 7.031 1.00 41.05 H new ATOM 0 HG1 THR A 44 -0.027 22.857 5.708 1.00 73.24 H new ATOM 0 HG21 THR A 44 1.989 21.833 5.873 1.00 74.55 H new ATOM 0 HG22 THR A 44 2.035 20.058 5.980 1.00 74.55 H new ATOM 0 HG23 THR A 44 1.598 20.845 4.445 1.00 74.55 H new ATOM 644 N GLY A 45 -2.016 18.932 7.486 1.00 34.54 N ATOM 645 CA GLY A 45 -3.250 18.813 8.241 1.00 14.03 C ATOM 646 C GLY A 45 -4.169 17.811 7.550 1.00 30.14 C ATOM 647 O GLY A 45 -3.707 16.819 6.968 1.00 25.54 O ATOM 0 H GLY A 45 -1.182 18.597 7.968 1.00 34.54 H new ATOM 0 HA2 GLY A 45 -3.037 18.487 9.259 1.00 14.03 H new ATOM 0 HA3 GLY A 45 -3.740 19.784 8.314 1.00 14.03 H new ATOM 651 N ASP A 46 -5.475 18.028 7.662 1.00 63.54 N ATOM 652 CA ASP A 46 -6.449 17.001 7.314 1.00 51.25 C ATOM 653 C ASP A 46 -6.610 16.860 5.803 1.00 71.44 C ATOM 654 O ASP A 46 -7.144 15.862 5.323 1.00 65.35 O ATOM 655 CB ASP A 46 -7.817 17.295 7.939 1.00 44.44 C ATOM 656 CG ASP A 46 -7.837 17.131 9.459 1.00 62.54 C ATOM 657 OD1 ASP A 46 -7.305 16.121 9.974 1.00 14.02 O ATOM 658 OD2 ASP A 46 -8.306 18.062 10.152 1.00 5.44 O ATOM 0 H ASP A 46 -5.882 18.904 7.990 1.00 63.54 H new ATOM 0 HA ASP A 46 -6.064 16.063 7.715 1.00 51.25 H new ATOM 0 HB2 ASP A 46 -8.112 18.313 7.687 1.00 44.44 H new ATOM 0 HB3 ASP A 46 -8.560 16.630 7.499 1.00 44.44 H new ATOM 662 N ASP A 47 -6.129 17.835 5.034 1.00 70.14 N ATOM 663 CA ASP A 47 -5.987 17.777 3.592 1.00 63.31 C ATOM 664 C ASP A 47 -5.153 16.562 3.202 1.00 22.30 C ATOM 665 O ASP A 47 -5.558 15.761 2.360 1.00 42.42 O ATOM 666 CB ASP A 47 -5.262 19.025 3.095 1.00 22.52 C ATOM 667 CG ASP A 47 -6.056 20.320 3.224 1.00 13.22 C ATOM 668 OD1 ASP A 47 -6.832 20.655 2.294 1.00 32.51 O ATOM 669 OD2 ASP A 47 -5.826 21.029 4.229 1.00 3.03 O ATOM 0 H ASP A 47 -5.815 18.724 5.423 1.00 70.14 H new ATOM 0 HA ASP A 47 -6.980 17.712 3.148 1.00 63.31 H new ATOM 0 HB2 ASP A 47 -4.329 19.131 3.649 1.00 22.52 H new ATOM 0 HB3 ASP A 47 -4.997 18.881 2.048 1.00 22.52 H new ATOM 673 N ALA A 48 -3.978 16.433 3.829 1.00 4.30 N ATOM 674 CA ALA A 48 -3.006 15.403 3.521 1.00 3.34 C ATOM 675 C ALA A 48 -3.556 14.050 3.948 1.00 61.22 C ATOM 676 O ALA A 48 -3.421 13.065 3.223 1.00 4.43 O ATOM 677 CB ALA A 48 -1.696 15.713 4.256 1.00 13.32 C ATOM 0 H ALA A 48 -3.680 17.059 4.577 1.00 4.30 H new ATOM 0 HA ALA A 48 -2.810 15.377 2.449 1.00 3.34 H new ATOM 0 HB1 ALA A 48 -0.960 14.942 4.029 1.00 13.32 H new ATOM 0 HB2 ALA A 48 -1.318 16.682 3.932 1.00 13.32 H new ATOM 0 HB3 ALA A 48 -1.878 15.735 5.330 1.00 13.32 H new ATOM 683 N ARG A 49 -4.200 14.010 5.120 1.00 70.23 N ATOM 684 CA ARG A 49 -4.829 12.798 5.616 1.00 30.41 C ATOM 685 C ARG A 49 -5.894 12.321 4.649 1.00 73.44 C ATOM 686 O ARG A 49 -5.852 11.162 4.250 1.00 63.41 O ATOM 687 CB ARG A 49 -5.434 12.990 7.005 1.00 34.10 C ATOM 688 CG ARG A 49 -4.352 13.149 8.080 1.00 45.31 C ATOM 689 CD ARG A 49 -4.994 13.249 9.462 1.00 21.22 C ATOM 690 NE ARG A 49 -5.760 12.041 9.800 1.00 44.04 N ATOM 691 CZ ARG A 49 -5.342 10.956 10.447 1.00 31.32 C ATOM 692 NH1 ARG A 49 -4.105 10.877 10.932 1.00 64.54 N ATOM 693 NH2 ARG A 49 -6.188 9.949 10.606 1.00 12.34 N ATOM 0 H ARG A 49 -4.295 14.814 5.741 1.00 70.23 H new ATOM 0 HA ARG A 49 -4.048 12.042 5.698 1.00 30.41 H new ATOM 0 HB2 ARG A 49 -6.077 13.870 7.003 1.00 34.10 H new ATOM 0 HB3 ARG A 49 -6.065 12.135 7.248 1.00 34.10 H new ATOM 0 HG2 ARG A 49 -3.670 12.300 8.048 1.00 45.31 H new ATOM 0 HG3 ARG A 49 -3.759 14.042 7.881 1.00 45.31 H new ATOM 0 HD2 ARG A 49 -4.219 13.409 10.212 1.00 21.22 H new ATOM 0 HD3 ARG A 49 -5.652 14.117 9.494 1.00 21.22 H new ATOM 0 HE ARG A 49 -6.735 12.033 9.501 1.00 44.04 H new ATOM 0 HH11 ARG A 49 -3.459 11.657 10.811 1.00 64.54 H new ATOM 0 HH12 ARG A 49 -3.803 10.037 11.425 1.00 64.54 H new ATOM 0 HH21 ARG A 49 -7.136 10.016 10.236 1.00 12.34 H new ATOM 0 HH22 ARG A 49 -5.891 9.106 11.098 1.00 12.34 H new ATOM 704 N ALA A 50 -6.832 13.196 4.279 1.00 62.22 N ATOM 705 CA ALA A 50 -7.916 12.860 3.375 1.00 52.22 C ATOM 706 C ALA A 50 -7.351 12.254 2.096 1.00 42.31 C ATOM 707 O ALA A 50 -7.793 11.171 1.721 1.00 25.32 O ATOM 708 CB ALA A 50 -8.765 14.094 3.072 1.00 2.02 C ATOM 0 H ALA A 50 -6.854 14.162 4.605 1.00 62.22 H new ATOM 0 HA ALA A 50 -8.562 12.123 3.851 1.00 52.22 H new ATOM 0 HB1 ALA A 50 -9.573 13.822 2.393 1.00 2.02 H new ATOM 0 HB2 ALA A 50 -9.186 14.483 3.999 1.00 2.02 H new ATOM 0 HB3 ALA A 50 -8.142 14.859 2.608 1.00 2.02 H new ATOM 714 N TYR A 51 -6.371 12.914 1.465 1.00 22.24 N ATOM 715 CA TYR A 51 -5.720 12.423 0.260 1.00 13.12 C ATOM 716 C TYR A 51 -5.158 11.018 0.490 1.00 61.14 C ATOM 717 O TYR A 51 -5.484 10.084 -0.246 1.00 25.43 O ATOM 718 CB TYR A 51 -4.608 13.383 -0.184 1.00 12.25 C ATOM 719 CG TYR A 51 -4.078 13.047 -1.563 1.00 4.41 C ATOM 720 CD1 TYR A 51 -3.292 11.896 -1.766 1.00 22.13 C ATOM 721 CD2 TYR A 51 -4.451 13.839 -2.660 1.00 72.52 C ATOM 722 CE1 TYR A 51 -2.997 11.465 -3.066 1.00 73.34 C ATOM 723 CE2 TYR A 51 -4.100 13.449 -3.964 1.00 45.43 C ATOM 724 CZ TYR A 51 -3.410 12.235 -4.174 1.00 32.43 C ATOM 725 OH TYR A 51 -3.162 11.779 -5.432 1.00 5.42 O ATOM 0 H TYR A 51 -6.010 13.812 1.786 1.00 22.24 H new ATOM 0 HA TYR A 51 -6.464 12.371 -0.535 1.00 13.12 H new ATOM 0 HB2 TYR A 51 -4.990 14.404 -0.182 1.00 12.25 H new ATOM 0 HB3 TYR A 51 -3.791 13.347 0.536 1.00 12.25 H new ATOM 0 HD1 TYR A 51 -2.916 11.344 -0.917 1.00 22.13 H new ATOM 0 HD2 TYR A 51 -5.009 14.750 -2.502 1.00 72.52 H new ATOM 0 HE1 TYR A 51 -2.454 10.544 -3.220 1.00 73.34 H new ATOM 0 HE2 TYR A 51 -4.358 14.077 -4.804 1.00 45.43 H new ATOM 0 HH TYR A 51 -3.966 11.885 -5.983 1.00 5.42 H new ATOM 734 N ALA A 52 -4.286 10.845 1.488 1.00 23.11 N ATOM 735 CA ALA A 52 -3.630 9.573 1.745 1.00 43.13 C ATOM 736 C ALA A 52 -4.660 8.467 1.943 1.00 5.32 C ATOM 737 O ALA A 52 -4.518 7.364 1.412 1.00 64.21 O ATOM 738 CB ALA A 52 -2.737 9.696 2.983 1.00 64.54 C ATOM 0 H ALA A 52 -4.020 11.586 2.136 1.00 23.11 H new ATOM 0 HA ALA A 52 -3.015 9.313 0.883 1.00 43.13 H new ATOM 0 HB1 ALA A 52 -2.246 8.742 3.174 1.00 64.54 H new ATOM 0 HB2 ALA A 52 -1.983 10.464 2.813 1.00 64.54 H new ATOM 0 HB3 ALA A 52 -3.346 9.970 3.845 1.00 64.54 H new ATOM 744 N LEU A 53 -5.701 8.758 2.712 1.00 43.43 N ATOM 745 CA LEU A 53 -6.717 7.800 3.102 1.00 53.31 C ATOM 746 C LEU A 53 -7.785 7.623 2.018 1.00 73.33 C ATOM 747 O LEU A 53 -8.691 6.810 2.195 1.00 65.22 O ATOM 748 CB LEU A 53 -7.330 8.256 4.434 1.00 51.02 C ATOM 749 CG LEU A 53 -6.323 8.178 5.603 1.00 74.52 C ATOM 750 CD1 LEU A 53 -6.787 9.023 6.786 1.00 72.24 C ATOM 751 CD2 LEU A 53 -6.091 6.732 6.060 1.00 33.20 C ATOM 0 H LEU A 53 -5.863 9.692 3.089 1.00 43.43 H new ATOM 0 HA LEU A 53 -6.257 6.820 3.229 1.00 53.31 H new ATOM 0 HB2 LEU A 53 -7.688 9.281 4.334 1.00 51.02 H new ATOM 0 HB3 LEU A 53 -8.197 7.636 4.663 1.00 51.02 H new ATOM 0 HG LEU A 53 -5.378 8.575 5.232 1.00 74.52 H new ATOM 0 HD11 LEU A 53 -6.059 8.949 7.594 1.00 72.24 H new ATOM 0 HD12 LEU A 53 -6.880 10.064 6.476 1.00 72.24 H new ATOM 0 HD13 LEU A 53 -7.754 8.661 7.135 1.00 72.24 H new ATOM 0 HD21 LEU A 53 -5.377 6.721 6.883 1.00 33.20 H new ATOM 0 HD22 LEU A 53 -7.035 6.300 6.392 1.00 33.20 H new ATOM 0 HD23 LEU A 53 -5.696 6.147 5.229 1.00 33.20 H new ATOM 762 N THR A 54 -7.736 8.355 0.900 1.00 14.42 N ATOM 763 CA THR A 54 -8.859 8.390 -0.028 1.00 30.53 C ATOM 764 C THR A 54 -9.025 7.037 -0.735 1.00 63.34 C ATOM 765 O THR A 54 -10.150 6.603 -0.981 1.00 53.40 O ATOM 766 CB THR A 54 -8.716 9.608 -0.970 1.00 10.11 C ATOM 767 OG1 THR A 54 -9.983 10.012 -1.439 1.00 31.32 O ATOM 768 CG2 THR A 54 -7.809 9.420 -2.190 1.00 13.32 C ATOM 0 H THR A 54 -6.937 8.924 0.622 1.00 14.42 H new ATOM 0 HA THR A 54 -9.796 8.536 0.509 1.00 30.53 H new ATOM 0 HB THR A 54 -8.235 10.360 -0.344 1.00 10.11 H new ATOM 0 HG1 THR A 54 -9.881 10.785 -2.033 1.00 31.32 H new ATOM 0 HG21 THR A 54 -7.788 10.341 -2.773 1.00 13.32 H new ATOM 0 HG22 THR A 54 -6.799 9.178 -1.859 1.00 13.32 H new ATOM 0 HG23 THR A 54 -8.193 8.608 -2.807 1.00 13.32 H new ATOM 776 N VAL A 55 -7.927 6.326 -1.010 1.00 5.03 N ATOM 777 CA VAL A 55 -7.972 5.040 -1.713 1.00 31.31 C ATOM 778 C VAL A 55 -8.301 3.880 -0.747 1.00 63.40 C ATOM 779 O VAL A 55 -8.512 2.744 -1.173 1.00 2.05 O ATOM 780 CB VAL A 55 -6.653 4.862 -2.507 1.00 74.44 C ATOM 781 CG1 VAL A 55 -6.620 3.583 -3.353 1.00 52.34 C ATOM 782 CG2 VAL A 55 -6.442 6.037 -3.477 1.00 41.02 C ATOM 0 H VAL A 55 -6.986 6.624 -0.753 1.00 5.03 H new ATOM 0 HA VAL A 55 -8.788 5.026 -2.436 1.00 31.31 H new ATOM 0 HB VAL A 55 -5.870 4.811 -1.750 1.00 74.44 H new ATOM 0 HG11 VAL A 55 -5.669 3.521 -3.882 1.00 52.34 H new ATOM 0 HG12 VAL A 55 -6.731 2.714 -2.704 1.00 52.34 H new ATOM 0 HG13 VAL A 55 -7.436 3.603 -4.075 1.00 52.34 H new ATOM 0 HG21 VAL A 55 -5.511 5.894 -4.025 1.00 41.02 H new ATOM 0 HG22 VAL A 55 -7.274 6.082 -4.180 1.00 41.02 H new ATOM 0 HG23 VAL A 55 -6.392 6.969 -2.914 1.00 41.02 H new ATOM 792 N VAL A 56 -8.369 4.124 0.567 1.00 10.04 N ATOM 793 CA VAL A 56 -8.485 3.085 1.593 1.00 73.41 C ATOM 794 C VAL A 56 -9.954 2.689 1.743 1.00 31.12 C ATOM 795 O VAL A 56 -10.593 2.978 2.755 1.00 51.03 O ATOM 796 CB VAL A 56 -7.836 3.547 2.910 1.00 25.55 C ATOM 797 CG1 VAL A 56 -7.647 2.375 3.883 1.00 61.50 C ATOM 798 CG2 VAL A 56 -6.458 4.149 2.648 1.00 61.43 C ATOM 0 H VAL A 56 -8.344 5.068 0.953 1.00 10.04 H new ATOM 0 HA VAL A 56 -7.938 2.192 1.292 1.00 73.41 H new ATOM 0 HB VAL A 56 -8.505 4.289 3.346 1.00 25.55 H new ATOM 0 HG11 VAL A 56 -7.186 2.736 4.803 1.00 61.50 H new ATOM 0 HG12 VAL A 56 -8.616 1.932 4.112 1.00 61.50 H new ATOM 0 HG13 VAL A 56 -7.004 1.623 3.426 1.00 61.50 H new ATOM 0 HG21 VAL A 56 -6.016 4.470 3.591 1.00 61.43 H new ATOM 0 HG22 VAL A 56 -5.817 3.401 2.182 1.00 61.43 H new ATOM 0 HG23 VAL A 56 -6.556 5.007 1.983 1.00 61.43 H new ATOM 915 N GLU A 66 -4.849 -0.207 -14.719 1.00 61.30 N ATOM 916 CA GLU A 66 -4.127 0.906 -15.356 1.00 44.31 C ATOM 917 C GLU A 66 -4.721 2.310 -15.127 1.00 44.10 C ATOM 918 O GLU A 66 -4.101 3.314 -15.477 1.00 44.01 O ATOM 919 CB GLU A 66 -3.803 0.638 -16.845 1.00 64.11 C ATOM 920 CG GLU A 66 -5.024 0.609 -17.784 1.00 63.31 C ATOM 921 CD GLU A 66 -4.713 0.914 -19.256 1.00 24.41 C ATOM 922 OE1 GLU A 66 -3.553 0.842 -19.716 1.00 31.44 O ATOM 923 OE2 GLU A 66 -5.661 1.290 -19.992 1.00 22.55 O ATOM 0 HA GLU A 66 -3.181 0.933 -14.815 1.00 44.31 H new ATOM 0 HB2 GLU A 66 -3.113 1.406 -17.195 1.00 64.11 H new ATOM 0 HB3 GLU A 66 -3.282 -0.317 -16.922 1.00 64.11 H new ATOM 0 HG2 GLU A 66 -5.489 -0.375 -17.722 1.00 63.31 H new ATOM 0 HG3 GLU A 66 -5.757 1.331 -17.425 1.00 63.31 H new ATOM 928 N ASP A 67 -5.897 2.440 -14.524 1.00 5.02 N ATOM 929 CA ASP A 67 -6.672 3.680 -14.526 1.00 30.22 C ATOM 930 C ASP A 67 -6.240 4.555 -13.347 1.00 63.50 C ATOM 931 O ASP A 67 -6.331 5.782 -13.400 1.00 61.51 O ATOM 932 CB ASP A 67 -8.179 3.371 -14.489 1.00 3.15 C ATOM 933 CG ASP A 67 -8.721 3.353 -13.062 1.00 70.42 C ATOM 934 OD1 ASP A 67 -8.376 2.440 -12.293 1.00 3.35 O ATOM 935 OD2 ASP A 67 -9.374 4.337 -12.646 1.00 73.14 O ATOM 0 H ASP A 67 -6.346 1.680 -14.013 1.00 5.02 H new ATOM 0 HA ASP A 67 -6.479 4.232 -15.446 1.00 30.22 H new ATOM 0 HB2 ASP A 67 -8.717 4.118 -15.072 1.00 3.15 H new ATOM 0 HB3 ASP A 67 -8.363 2.405 -14.960 1.00 3.15 H new ATOM 939 N VAL A 68 -5.683 3.932 -12.309 1.00 72.34 N ATOM 940 CA VAL A 68 -5.125 4.594 -11.147 1.00 3.42 C ATOM 941 C VAL A 68 -3.907 5.427 -11.552 1.00 43.30 C ATOM 942 O VAL A 68 -3.678 6.486 -10.967 1.00 71.51 O ATOM 943 CB VAL A 68 -4.821 3.521 -10.086 1.00 43.30 C ATOM 944 CG1 VAL A 68 -4.154 4.105 -8.827 1.00 33.25 C ATOM 945 CG2 VAL A 68 -6.115 2.870 -9.601 1.00 74.40 C ATOM 0 H VAL A 68 -5.609 2.916 -12.260 1.00 72.34 H new ATOM 0 HA VAL A 68 -5.830 5.301 -10.710 1.00 3.42 H new ATOM 0 HB VAL A 68 -4.153 2.811 -10.573 1.00 43.30 H new ATOM 0 HG11 VAL A 68 -3.962 3.305 -8.112 1.00 33.25 H new ATOM 0 HG12 VAL A 68 -3.212 4.580 -9.101 1.00 33.25 H new ATOM 0 HG13 VAL A 68 -4.815 4.844 -8.375 1.00 33.25 H new ATOM 0 HG21 VAL A 68 -5.883 2.114 -8.851 1.00 74.40 H new ATOM 0 HG22 VAL A 68 -6.762 3.629 -9.162 1.00 74.40 H new ATOM 0 HG23 VAL A 68 -6.625 2.402 -10.443 1.00 74.40 H new ATOM 955 N PHE A 69 -3.164 5.028 -12.593 1.00 61.54 N ATOM 956 CA PHE A 69 -2.164 5.898 -13.198 1.00 33.21 C ATOM 957 C PHE A 69 -2.851 7.192 -13.646 1.00 42.34 C ATOM 958 O PHE A 69 -2.459 8.263 -13.213 1.00 42.11 O ATOM 959 CB PHE A 69 -1.419 5.150 -14.314 1.00 31.54 C ATOM 960 CG PHE A 69 -0.323 5.908 -15.050 1.00 44.21 C ATOM 961 CD1 PHE A 69 -0.650 6.640 -16.208 1.00 51.01 C ATOM 962 CD2 PHE A 69 1.030 5.820 -14.652 1.00 42.13 C ATOM 963 CE1 PHE A 69 0.365 7.191 -17.006 1.00 71.32 C ATOM 964 CE2 PHE A 69 2.047 6.353 -15.464 1.00 61.40 C ATOM 965 CZ PHE A 69 1.713 7.008 -16.662 1.00 23.33 C ATOM 0 H PHE A 69 -3.241 4.109 -13.028 1.00 61.54 H new ATOM 0 HA PHE A 69 -1.393 6.182 -12.482 1.00 33.21 H new ATOM 0 HB2 PHE A 69 -0.977 4.252 -13.882 1.00 31.54 H new ATOM 0 HB3 PHE A 69 -2.154 4.821 -15.049 1.00 31.54 H new ATOM 0 HD1 PHE A 69 -1.685 6.778 -16.483 1.00 51.01 H new ATOM 0 HD2 PHE A 69 1.285 5.340 -13.718 1.00 42.13 H new ATOM 0 HE1 PHE A 69 0.107 7.758 -17.888 1.00 71.32 H new ATOM 0 HE2 PHE A 69 3.081 6.259 -15.168 1.00 61.40 H new ATOM 0 HZ PHE A 69 2.492 7.370 -17.316 1.00 23.33 H new ATOM 974 N ARG A 70 -3.944 7.134 -14.408 1.00 30.52 N ATOM 975 CA ARG A 70 -4.674 8.325 -14.861 1.00 65.14 C ATOM 976 C ARG A 70 -5.230 9.223 -13.756 1.00 42.41 C ATOM 977 O ARG A 70 -5.479 10.404 -14.004 1.00 30.52 O ATOM 978 CB ARG A 70 -5.810 7.894 -15.808 1.00 63.40 C ATOM 979 CG ARG A 70 -5.553 8.515 -17.174 1.00 70.20 C ATOM 980 CD ARG A 70 -6.408 7.862 -18.258 1.00 10.45 C ATOM 981 NE ARG A 70 -6.160 8.479 -19.564 1.00 52.32 N ATOM 982 CZ ARG A 70 -6.192 7.867 -20.751 1.00 52.42 C ATOM 983 NH1 ARG A 70 -6.672 6.631 -20.875 1.00 72.11 N ATOM 984 NH2 ARG A 70 -5.722 8.508 -21.811 1.00 42.21 N ATOM 0 H ARG A 70 -4.352 6.257 -14.731 1.00 30.52 H new ATOM 0 HA ARG A 70 -3.934 8.942 -15.371 1.00 65.14 H new ATOM 0 HB2 ARG A 70 -5.848 6.807 -15.886 1.00 63.40 H new ATOM 0 HB3 ARG A 70 -6.774 8.220 -15.418 1.00 63.40 H new ATOM 0 HG2 ARG A 70 -5.767 9.583 -17.135 1.00 70.20 H new ATOM 0 HG3 ARG A 70 -4.498 8.411 -17.429 1.00 70.20 H new ATOM 0 HD2 ARG A 70 -6.187 6.796 -18.308 1.00 10.45 H new ATOM 0 HD3 ARG A 70 -7.463 7.957 -18.001 1.00 10.45 H new ATOM 0 HE ARG A 70 -5.941 9.475 -19.567 1.00 52.32 H new ATOM 0 HH11 ARG A 70 -7.023 6.136 -20.055 1.00 72.11 H new ATOM 0 HH12 ARG A 70 -6.688 6.180 -21.790 1.00 72.11 H new ATOM 0 HH21 ARG A 70 -5.345 9.451 -21.711 1.00 42.21 H new ATOM 0 HH22 ARG A 70 -5.737 8.059 -22.727 1.00 42.21 H new ATOM 995 N LYS A 71 -5.469 8.700 -12.555 1.00 54.44 N ATOM 996 CA LYS A 71 -5.959 9.525 -11.449 1.00 32.11 C ATOM 997 C LYS A 71 -4.783 10.254 -10.811 1.00 34.12 C ATOM 998 O LYS A 71 -4.769 11.483 -10.775 1.00 30.42 O ATOM 999 CB LYS A 71 -6.908 8.745 -10.518 1.00 45.21 C ATOM 1000 CG LYS A 71 -6.329 8.041 -9.280 1.00 54.32 C ATOM 1001 CD LYS A 71 -7.263 6.937 -8.759 1.00 53.13 C ATOM 1002 CE LYS A 71 -8.713 7.391 -8.568 1.00 61.41 C ATOM 1003 NZ LYS A 71 -9.599 6.233 -8.358 1.00 45.30 N ATOM 0 H LYS A 71 -5.333 7.716 -12.322 1.00 54.44 H new ATOM 0 HA LYS A 71 -6.617 10.317 -11.807 1.00 32.11 H new ATOM 0 HB2 LYS A 71 -7.674 9.440 -10.173 1.00 45.21 H new ATOM 0 HB3 LYS A 71 -7.411 7.989 -11.121 1.00 45.21 H new ATOM 0 HG2 LYS A 71 -5.360 7.609 -9.528 1.00 54.32 H new ATOM 0 HG3 LYS A 71 -6.159 8.774 -8.492 1.00 54.32 H new ATOM 0 HD2 LYS A 71 -7.244 6.099 -9.456 1.00 53.13 H new ATOM 0 HD3 LYS A 71 -6.879 6.569 -7.807 1.00 53.13 H new ATOM 0 HE2 LYS A 71 -8.779 8.065 -7.714 1.00 61.41 H new ATOM 0 HE3 LYS A 71 -9.042 7.952 -9.443 1.00 61.41 H new ATOM 0 HZ1 LYS A 71 -10.577 6.563 -8.231 1.00 45.30 H new ATOM 0 HZ2 LYS A 71 -9.550 5.604 -9.185 1.00 45.30 H new ATOM 0 HZ3 LYS A 71 -9.296 5.713 -7.510 1.00 45.30 H new ATOM 1013 N LEU A 72 -3.743 9.513 -10.419 1.00 44.10 N ATOM 1014 CA LEU A 72 -2.525 10.082 -9.852 1.00 23.15 C ATOM 1015 C LEU A 72 -1.846 11.035 -10.838 1.00 10.42 C ATOM 1016 O LEU A 72 -1.306 12.054 -10.422 1.00 72.53 O ATOM 1017 CB LEU A 72 -1.551 8.954 -9.488 1.00 62.53 C ATOM 1018 CG LEU A 72 -1.943 8.123 -8.260 1.00 52.42 C ATOM 1019 CD1 LEU A 72 -1.223 6.772 -8.283 1.00 10.01 C ATOM 1020 CD2 LEU A 72 -1.580 8.862 -6.973 1.00 2.04 C ATOM 0 H LEU A 72 -3.726 8.495 -10.488 1.00 44.10 H new ATOM 0 HA LEU A 72 -2.798 10.645 -8.960 1.00 23.15 H new ATOM 0 HB2 LEU A 72 -1.458 8.286 -10.344 1.00 62.53 H new ATOM 0 HB3 LEU A 72 -0.566 9.388 -9.314 1.00 62.53 H new ATOM 0 HG LEU A 72 -3.021 7.963 -8.290 1.00 52.42 H new ATOM 0 HD11 LEU A 72 -1.510 6.192 -7.406 1.00 10.01 H new ATOM 0 HD12 LEU A 72 -1.501 6.227 -9.185 1.00 10.01 H new ATOM 0 HD13 LEU A 72 -0.145 6.934 -8.274 1.00 10.01 H new ATOM 0 HD21 LEU A 72 -1.866 8.257 -6.113 1.00 2.04 H new ATOM 0 HD22 LEU A 72 -0.505 9.043 -6.948 1.00 2.04 H new ATOM 0 HD23 LEU A 72 -2.109 9.814 -6.938 1.00 2.04 H new ATOM 1031 N ALA A 73 -1.868 10.722 -12.132 1.00 10.23 N ATOM 1032 CA ALA A 73 -1.211 11.499 -13.169 1.00 45.44 C ATOM 1033 C ALA A 73 -1.821 12.889 -13.300 1.00 13.12 C ATOM 1034 O ALA A 73 -1.143 13.781 -13.800 1.00 14.25 O ATOM 1035 CB ALA A 73 -1.350 10.797 -14.522 1.00 72.54 C ATOM 0 H ALA A 73 -2.356 9.902 -12.492 1.00 10.23 H new ATOM 0 HA ALA A 73 -0.163 11.589 -12.884 1.00 45.44 H new ATOM 0 HB1 ALA A 73 -0.854 11.388 -15.291 1.00 72.54 H new ATOM 0 HB2 ALA A 73 -0.889 9.811 -14.469 1.00 72.54 H new ATOM 0 HB3 ALA A 73 -2.406 10.691 -14.770 1.00 72.54 H new ATOM 1041 N ALA A 74 -3.097 13.064 -12.940 1.00 62.12 N ATOM 1042 CA ALA A 74 -3.706 14.389 -12.951 1.00 25.15 C ATOM 1043 C ALA A 74 -3.313 15.169 -11.696 1.00 3.24 C ATOM 1044 O ALA A 74 -3.110 16.385 -11.743 1.00 24.41 O ATOM 1045 CB ALA A 74 -5.223 14.252 -13.044 1.00 62.11 C ATOM 0 H ALA A 74 -3.718 12.312 -12.642 1.00 62.12 H new ATOM 0 HA ALA A 74 -3.345 14.941 -13.819 1.00 25.15 H new ATOM 0 HB1 ALA A 74 -5.678 15.242 -13.052 1.00 62.11 H new ATOM 0 HB2 ALA A 74 -5.485 13.725 -13.961 1.00 62.11 H new ATOM 0 HB3 ALA A 74 -5.591 13.691 -12.185 1.00 62.11 H new ATOM 1051 N ASP A 75 -3.232 14.486 -10.552 1.00 65.32 N ATOM 1052 CA ASP A 75 -2.851 15.084 -9.275 1.00 23.33 C ATOM 1053 C ASP A 75 -1.417 15.601 -9.373 1.00 71.50 C ATOM 1054 O ASP A 75 -1.164 16.794 -9.179 1.00 54.13 O ATOM 1055 CB ASP A 75 -2.984 14.061 -8.133 1.00 62.23 C ATOM 1056 CG ASP A 75 -4.359 14.047 -7.469 1.00 12.23 C ATOM 1057 OD1 ASP A 75 -4.937 15.129 -7.209 1.00 45.42 O ATOM 1058 OD2 ASP A 75 -4.797 12.929 -7.107 1.00 24.31 O ATOM 0 H ASP A 75 -3.433 13.488 -10.488 1.00 65.32 H new ATOM 0 HA ASP A 75 -3.520 15.916 -9.053 1.00 23.33 H new ATOM 0 HB2 ASP A 75 -2.770 13.066 -8.524 1.00 62.23 H new ATOM 0 HB3 ASP A 75 -2.229 14.276 -7.377 1.00 62.23 H new ATOM 1062 N LEU A 76 -0.476 14.705 -9.687 1.00 31.24 N ATOM 1063 CA LEU A 76 0.945 14.985 -9.792 1.00 13.01 C ATOM 1064 C LEU A 76 1.349 15.417 -11.203 1.00 52.23 C ATOM 1065 O LEU A 76 2.518 15.247 -11.543 1.00 65.14 O ATOM 1066 CB LEU A 76 1.787 13.758 -9.401 1.00 2.04 C ATOM 1067 CG LEU A 76 1.625 13.184 -7.994 1.00 54.10 C ATOM 1068 CD1 LEU A 76 1.450 14.232 -6.900 1.00 33.52 C ATOM 1069 CD2 LEU A 76 0.508 12.163 -7.921 1.00 61.51 C ATOM 0 H LEU A 76 -0.700 13.729 -9.881 1.00 31.24 H new ATOM 0 HA LEU A 76 1.139 15.806 -9.101 1.00 13.01 H new ATOM 0 HB2 LEU A 76 1.564 12.962 -10.112 1.00 2.04 H new ATOM 0 HB3 LEU A 76 2.837 14.020 -9.534 1.00 2.04 H new ATOM 0 HG LEU A 76 2.576 12.688 -7.796 1.00 54.10 H new ATOM 0 HD11 LEU A 76 1.342 13.736 -5.935 1.00 33.52 H new ATOM 0 HD12 LEU A 76 2.323 14.884 -6.878 1.00 33.52 H new ATOM 0 HD13 LEU A 76 0.559 14.826 -7.104 1.00 33.52 H new ATOM 0 HD21 LEU A 76 0.429 11.782 -6.903 1.00 61.51 H new ATOM 0 HD22 LEU A 76 -0.433 12.633 -8.207 1.00 61.51 H new ATOM 0 HD23 LEU A 76 0.723 11.339 -8.601 1.00 61.51 H new ATOM 1080 N GLU A 77 0.435 15.934 -12.032 1.00 34.55 N ATOM 1081 CA GLU A 77 0.798 16.507 -13.330 1.00 43.21 C ATOM 1082 C GLU A 77 1.838 17.601 -13.040 1.00 72.13 C ATOM 1083 O GLU A 77 1.513 18.606 -12.400 1.00 5.22 O ATOM 1084 CB GLU A 77 -0.456 17.057 -14.042 1.00 72.41 C ATOM 1085 CG GLU A 77 -0.278 17.360 -15.542 1.00 32.55 C ATOM 1086 CD GLU A 77 -0.689 16.207 -16.473 1.00 22.32 C ATOM 1087 OE1 GLU A 77 -1.902 15.895 -16.546 1.00 11.23 O ATOM 1088 OE2 GLU A 77 0.190 15.654 -17.178 1.00 71.34 O ATOM 0 H GLU A 77 -0.563 15.967 -11.825 1.00 34.55 H new ATOM 0 HA GLU A 77 1.220 15.762 -14.005 1.00 43.21 H new ATOM 0 HB2 GLU A 77 -1.265 16.336 -13.927 1.00 72.41 H new ATOM 0 HB3 GLU A 77 -0.769 17.971 -13.538 1.00 72.41 H new ATOM 0 HG2 GLU A 77 -0.865 18.243 -15.795 1.00 32.55 H new ATOM 0 HG3 GLU A 77 0.767 17.608 -15.729 1.00 32.55 H new ATOM 1093 N GLY A 78 3.101 17.364 -13.391 1.00 63.21 N ATOM 1094 CA GLY A 78 4.207 18.267 -13.123 1.00 4.22 C ATOM 1095 C GLY A 78 4.900 18.078 -11.773 1.00 63.30 C ATOM 1096 O GLY A 78 5.735 18.918 -11.422 1.00 61.51 O ATOM 0 H GLY A 78 3.385 16.516 -13.882 1.00 63.21 H new ATOM 0 HA2 GLY A 78 4.949 18.148 -13.912 1.00 4.22 H new ATOM 0 HA3 GLY A 78 3.839 19.291 -13.183 1.00 4.22 H new ATOM 1100 N LYS A 79 4.560 17.051 -10.980 1.00 1.14 N ATOM 1101 CA LYS A 79 5.232 16.745 -9.716 1.00 71.42 C ATOM 1102 C LYS A 79 5.904 15.384 -9.717 1.00 31.24 C ATOM 1103 O LYS A 79 6.943 15.273 -9.066 1.00 32.12 O ATOM 1104 CB LYS A 79 4.315 16.834 -8.500 1.00 11.44 C ATOM 1105 CG LYS A 79 3.891 18.267 -8.186 1.00 72.44 C ATOM 1106 CD LYS A 79 2.648 18.674 -8.969 1.00 44.11 C ATOM 1107 CE LYS A 79 1.994 19.898 -8.330 1.00 24.21 C ATOM 1108 NZ LYS A 79 2.813 21.114 -8.478 1.00 21.55 N ATOM 0 H LYS A 79 3.803 16.405 -11.204 1.00 1.14 H new ATOM 0 HA LYS A 79 5.993 17.521 -9.633 1.00 71.42 H new ATOM 0 HB2 LYS A 79 3.427 16.227 -8.674 1.00 11.44 H new ATOM 0 HB3 LYS A 79 4.825 16.412 -7.634 1.00 11.44 H new ATOM 0 HG2 LYS A 79 3.695 18.362 -7.118 1.00 72.44 H new ATOM 0 HG3 LYS A 79 4.709 18.948 -8.422 1.00 72.44 H new ATOM 0 HD2 LYS A 79 2.917 18.895 -10.002 1.00 44.11 H new ATOM 0 HD3 LYS A 79 1.939 17.846 -8.994 1.00 44.11 H new ATOM 0 HE2 LYS A 79 1.017 20.064 -8.785 1.00 24.21 H new ATOM 0 HE3 LYS A 79 1.824 19.704 -7.271 1.00 24.21 H new ATOM 0 HZ1 LYS A 79 2.327 21.916 -8.029 1.00 21.55 H new ATOM 0 HZ2 LYS A 79 3.736 20.968 -8.022 1.00 21.55 H new ATOM 0 HZ3 LYS A 79 2.954 21.317 -9.488 1.00 21.55 H new ATOM 1118 N ALA A 80 5.325 14.374 -10.372 1.00 33.14 N ATOM 1119 CA ALA A 80 5.942 13.076 -10.531 1.00 65.20 C ATOM 1120 C ALA A 80 5.680 12.674 -11.973 1.00 45.44 C ATOM 1121 O ALA A 80 4.551 12.745 -12.446 1.00 70.44 O ATOM 1122 CB ALA A 80 5.341 12.076 -9.543 1.00 13.05 C ATOM 0 H ALA A 80 4.405 14.446 -10.807 1.00 33.14 H new ATOM 0 HA ALA A 80 7.012 13.099 -10.323 1.00 65.20 H new ATOM 0 HB1 ALA A 80 5.816 11.104 -9.675 1.00 13.05 H new ATOM 0 HB2 ALA A 80 5.508 12.426 -8.524 1.00 13.05 H new ATOM 0 HB3 ALA A 80 4.270 11.984 -9.724 1.00 13.05 H new ATOM 1128 N ASP A 81 6.733 12.292 -12.674 1.00 73.43 N ATOM 1129 CA ASP A 81 6.645 11.771 -14.036 1.00 22.21 C ATOM 1130 C ASP A 81 6.197 10.313 -13.979 1.00 54.31 C ATOM 1131 O ASP A 81 6.352 9.646 -12.946 1.00 14.03 O ATOM 1132 CB ASP A 81 7.996 11.824 -14.773 1.00 13.05 C ATOM 1133 CG ASP A 81 8.664 13.193 -14.751 1.00 54.02 C ATOM 1134 OD1 ASP A 81 9.264 13.515 -13.704 1.00 43.02 O ATOM 1135 OD2 ASP A 81 8.601 13.948 -15.746 1.00 74.12 O ATOM 0 H ASP A 81 7.686 12.333 -12.314 1.00 73.43 H new ATOM 0 HA ASP A 81 5.934 12.394 -14.578 1.00 22.21 H new ATOM 0 HB2 ASP A 81 8.671 11.095 -14.324 1.00 13.05 H new ATOM 0 HB3 ASP A 81 7.844 11.522 -15.809 1.00 13.05 H new ATOM 1139 N GLU A 82 5.787 9.772 -15.130 1.00 2.43 N ATOM 1140 CA GLU A 82 5.528 8.348 -15.349 1.00 2.25 C ATOM 1141 C GLU A 82 6.635 7.499 -14.741 1.00 12.41 C ATOM 1142 O GLU A 82 6.352 6.513 -14.062 1.00 1.03 O ATOM 1143 CB GLU A 82 5.393 8.091 -16.862 1.00 1.12 C ATOM 1144 CG GLU A 82 5.614 6.638 -17.349 1.00 10.02 C ATOM 1145 CD GLU A 82 7.087 6.303 -17.657 1.00 63.14 C ATOM 1146 OE1 GLU A 82 7.697 7.008 -18.494 1.00 3.02 O ATOM 1147 OE2 GLU A 82 7.640 5.331 -17.092 1.00 21.22 O ATOM 0 H GLU A 82 5.621 10.335 -15.964 1.00 2.43 H new ATOM 0 HA GLU A 82 4.598 8.065 -14.856 1.00 2.25 H new ATOM 0 HB2 GLU A 82 4.396 8.404 -17.172 1.00 1.12 H new ATOM 0 HB3 GLU A 82 6.104 8.734 -17.380 1.00 1.12 H new ATOM 0 HG2 GLU A 82 5.246 5.950 -16.588 1.00 10.02 H new ATOM 0 HG3 GLU A 82 5.018 6.470 -18.246 1.00 10.02 H new ATOM 1152 N GLU A 83 7.885 7.910 -14.961 1.00 23.52 N ATOM 1153 CA GLU A 83 9.085 7.180 -14.594 1.00 21.31 C ATOM 1154 C GLU A 83 9.168 6.875 -13.092 1.00 61.23 C ATOM 1155 O GLU A 83 9.916 5.980 -12.700 1.00 12.04 O ATOM 1156 CB GLU A 83 10.311 7.961 -15.097 1.00 42.21 C ATOM 1157 CG GLU A 83 11.505 7.034 -15.359 1.00 25.31 C ATOM 1158 CD GLU A 83 12.722 7.800 -15.867 1.00 72.52 C ATOM 1159 OE1 GLU A 83 12.627 8.381 -16.972 1.00 45.21 O ATOM 1160 OE2 GLU A 83 13.769 7.771 -15.182 1.00 21.44 O ATOM 0 H GLU A 83 8.090 8.798 -15.419 1.00 23.52 H new ATOM 0 HA GLU A 83 9.055 6.202 -15.074 1.00 21.31 H new ATOM 0 HB2 GLU A 83 10.054 8.491 -16.014 1.00 42.21 H new ATOM 0 HB3 GLU A 83 10.590 8.715 -14.360 1.00 42.21 H new ATOM 0 HG2 GLU A 83 11.765 6.509 -14.440 1.00 25.31 H new ATOM 0 HG3 GLU A 83 11.222 6.276 -16.090 1.00 25.31 H new ATOM 1165 N THR A 84 8.394 7.589 -12.269 1.00 74.22 N ATOM 1166 CA THR A 84 8.376 7.504 -10.819 1.00 45.32 C ATOM 1167 C THR A 84 7.008 6.999 -10.334 1.00 3.25 C ATOM 1168 O THR A 84 6.945 6.169 -9.427 1.00 30.12 O ATOM 1169 CB THR A 84 8.727 8.907 -10.283 1.00 32.32 C ATOM 1170 OG1 THR A 84 9.994 9.298 -10.773 1.00 51.14 O ATOM 1171 CG2 THR A 84 8.793 8.966 -8.760 1.00 2.04 C ATOM 0 H THR A 84 7.730 8.277 -12.623 1.00 74.22 H new ATOM 0 HA THR A 84 9.105 6.787 -10.443 1.00 45.32 H new ATOM 0 HB THR A 84 7.932 9.571 -10.623 1.00 32.32 H new ATOM 0 HG1 THR A 84 10.215 10.190 -10.433 1.00 51.14 H new ATOM 0 HG21 THR A 84 9.044 9.979 -8.446 1.00 2.04 H new ATOM 0 HG22 THR A 84 7.826 8.686 -8.343 1.00 2.04 H new ATOM 0 HG23 THR A 84 9.556 8.275 -8.402 1.00 2.04 H new ATOM 1179 N ILE A 85 5.896 7.456 -10.917 1.00 1.35 N ATOM 1180 CA ILE A 85 4.559 7.028 -10.517 1.00 32.12 C ATOM 1181 C ILE A 85 4.331 5.545 -10.820 1.00 62.40 C ATOM 1182 O ILE A 85 3.896 4.800 -9.934 1.00 41.02 O ATOM 1183 CB ILE A 85 3.486 7.849 -11.239 1.00 10.11 C ATOM 1184 CG1 ILE A 85 3.634 9.380 -11.050 1.00 70.33 C ATOM 1185 CG2 ILE A 85 2.109 7.399 -10.718 1.00 62.11 C ATOM 1186 CD1 ILE A 85 2.756 10.225 -11.980 1.00 51.03 C ATOM 0 H ILE A 85 5.901 8.133 -11.680 1.00 1.35 H new ATOM 0 HA ILE A 85 4.483 7.187 -9.441 1.00 32.12 H new ATOM 0 HB ILE A 85 3.599 7.666 -12.308 1.00 10.11 H new ATOM 0 HG12 ILE A 85 3.393 9.630 -10.017 1.00 70.33 H new ATOM 0 HG13 ILE A 85 4.677 9.653 -11.209 1.00 70.33 H new ATOM 0 HG21 ILE A 85 1.327 7.970 -11.218 1.00 62.11 H new ATOM 0 HG22 ILE A 85 1.971 6.337 -10.924 1.00 62.11 H new ATOM 0 HG23 ILE A 85 2.053 7.570 -9.643 1.00 62.11 H new ATOM 0 HD11 ILE A 85 2.925 11.283 -11.778 1.00 51.03 H new ATOM 0 HD12 ILE A 85 3.011 10.009 -13.017 1.00 51.03 H new ATOM 0 HD13 ILE A 85 1.707 9.985 -11.807 1.00 51.03 H new ATOM 1197 N ARG A 86 4.541 5.099 -12.069 1.00 25.12 N ATOM 1198 CA ARG A 86 4.400 3.681 -12.399 1.00 44.43 C ATOM 1199 C ARG A 86 5.381 2.886 -11.548 1.00 54.01 C ATOM 1200 O ARG A 86 5.026 1.798 -11.104 1.00 42.14 O ATOM 1201 CB ARG A 86 4.651 3.447 -13.898 1.00 72.21 C ATOM 1202 CG ARG A 86 3.415 3.016 -14.688 1.00 30.34 C ATOM 1203 CD ARG A 86 3.145 1.507 -14.619 1.00 23.25 C ATOM 1204 NE ARG A 86 4.191 0.703 -15.283 1.00 73.23 N ATOM 1205 CZ ARG A 86 4.122 -0.619 -15.498 1.00 45.04 C ATOM 1206 NH1 ARG A 86 3.052 -1.318 -15.132 1.00 45.22 N ATOM 1207 NH2 ARG A 86 5.121 -1.253 -16.089 1.00 10.34 N ATOM 0 H ARG A 86 4.805 5.694 -12.854 1.00 25.12 H new ATOM 0 HA ARG A 86 3.384 3.349 -12.185 1.00 44.43 H new ATOM 0 HB2 ARG A 86 5.044 4.365 -14.335 1.00 72.21 H new ATOM 0 HB3 ARG A 86 5.422 2.685 -14.010 1.00 72.21 H new ATOM 0 HG2 ARG A 86 2.545 3.551 -14.308 1.00 30.34 H new ATOM 0 HG3 ARG A 86 3.539 3.308 -15.731 1.00 30.34 H new ATOM 0 HD2 ARG A 86 3.070 1.204 -13.575 1.00 23.25 H new ATOM 0 HD3 ARG A 86 2.182 1.294 -15.083 1.00 23.25 H new ATOM 0 HE ARG A 86 5.029 1.190 -15.602 1.00 73.23 H new ATOM 0 HH11 ARG A 86 2.267 -0.849 -14.680 1.00 45.22 H new ATOM 0 HH12 ARG A 86 3.016 -2.323 -15.303 1.00 45.22 H new ATOM 0 HH21 ARG A 86 5.950 -0.736 -16.384 1.00 10.34 H new ATOM 0 HH22 ARG A 86 5.063 -2.259 -16.250 1.00 10.34 H new ATOM 1218 N ALA A 87 6.540 3.470 -11.234 1.00 44.32 N ATOM 1219 CA ALA A 87 7.558 2.772 -10.459 1.00 65.54 C ATOM 1220 C ALA A 87 7.029 2.444 -9.063 1.00 31.41 C ATOM 1221 O ALA A 87 6.953 1.282 -8.685 1.00 43.33 O ATOM 1222 CB ALA A 87 8.869 3.563 -10.409 1.00 34.31 C ATOM 0 H ALA A 87 6.792 4.420 -11.505 1.00 44.32 H new ATOM 0 HA ALA A 87 7.786 1.830 -10.959 1.00 65.54 H new ATOM 0 HB1 ALA A 87 9.604 3.012 -9.823 1.00 34.31 H new ATOM 0 HB2 ALA A 87 9.246 3.707 -11.422 1.00 34.31 H new ATOM 0 HB3 ALA A 87 8.691 4.534 -9.947 1.00 34.31 H new ATOM 1228 N LYS A 88 6.571 3.441 -8.306 1.00 64.30 N ATOM 1229 CA LYS A 88 5.964 3.259 -6.978 1.00 63.53 C ATOM 1230 C LYS A 88 4.759 2.329 -7.033 1.00 70.21 C ATOM 1231 O LYS A 88 4.613 1.483 -6.155 1.00 51.00 O ATOM 1232 CB LYS A 88 5.624 4.631 -6.394 1.00 44.20 C ATOM 1233 CG LYS A 88 6.935 5.354 -6.037 1.00 32.34 C ATOM 1234 CD LYS A 88 6.726 6.847 -5.811 1.00 22.45 C ATOM 1235 CE LYS A 88 7.937 7.557 -5.185 1.00 22.31 C ATOM 1236 NZ LYS A 88 9.203 7.287 -5.891 1.00 4.12 N ATOM 0 H LYS A 88 6.610 4.417 -8.600 1.00 64.30 H new ATOM 0 HA LYS A 88 6.679 2.771 -6.316 1.00 63.53 H new ATOM 0 HB2 LYS A 88 5.053 5.217 -7.114 1.00 44.20 H new ATOM 0 HB3 LYS A 88 5.000 4.520 -5.507 1.00 44.20 H new ATOM 0 HG2 LYS A 88 7.361 4.908 -5.138 1.00 32.34 H new ATOM 0 HG3 LYS A 88 7.659 5.207 -6.839 1.00 32.34 H new ATOM 0 HD2 LYS A 88 6.493 7.320 -6.765 1.00 22.45 H new ATOM 0 HD3 LYS A 88 5.860 6.989 -5.165 1.00 22.45 H new ATOM 0 HE2 LYS A 88 7.755 8.632 -5.178 1.00 22.31 H new ATOM 0 HE3 LYS A 88 8.035 7.244 -4.146 1.00 22.31 H new ATOM 0 HZ1 LYS A 88 9.744 8.171 -5.985 1.00 4.12 H new ATOM 0 HZ2 LYS A 88 9.761 6.595 -5.351 1.00 4.12 H new ATOM 0 HZ3 LYS A 88 8.999 6.904 -6.836 1.00 4.12 H new ATOM 1246 N MET A 89 3.921 2.413 -8.063 1.00 3.04 N ATOM 1247 CA MET A 89 2.802 1.493 -8.264 1.00 31.22 C ATOM 1248 C MET A 89 3.267 0.019 -8.349 1.00 62.31 C ATOM 1249 O MET A 89 2.461 -0.875 -8.071 1.00 52.02 O ATOM 1250 CB MET A 89 2.019 1.970 -9.503 1.00 31.15 C ATOM 1251 CG MET A 89 1.215 0.865 -10.219 1.00 2.21 C ATOM 1252 SD MET A 89 0.515 1.322 -11.824 1.00 71.32 S ATOM 1253 CE MET A 89 -0.439 -0.176 -12.200 1.00 1.32 C ATOM 0 H MET A 89 3.999 3.126 -8.788 1.00 3.04 H new ATOM 0 HA MET A 89 2.135 1.509 -7.402 1.00 31.22 H new ATOM 0 HB2 MET A 89 1.334 2.762 -9.201 1.00 31.15 H new ATOM 0 HB3 MET A 89 2.720 2.409 -10.213 1.00 31.15 H new ATOM 0 HG2 MET A 89 1.864 0.001 -10.359 1.00 2.21 H new ATOM 0 HG3 MET A 89 0.402 0.550 -9.565 1.00 2.21 H new ATOM 0 HE1 MET A 89 -0.936 -0.059 -13.163 1.00 1.32 H new ATOM 0 HE2 MET A 89 0.232 -1.034 -12.240 1.00 1.32 H new ATOM 0 HE3 MET A 89 -1.186 -0.336 -11.423 1.00 1.32 H new ATOM 1261 N VAL A 90 4.530 -0.260 -8.693 1.00 70.23 N ATOM 1262 CA VAL A 90 5.099 -1.595 -8.898 1.00 50.01 C ATOM 1263 C VAL A 90 5.987 -1.983 -7.704 1.00 25.23 C ATOM 1264 O VAL A 90 5.826 -3.069 -7.142 1.00 63.24 O ATOM 1265 CB VAL A 90 5.857 -1.598 -10.245 1.00 70.20 C ATOM 1266 CG1 VAL A 90 6.588 -2.928 -10.488 1.00 1.04 C ATOM 1267 CG2 VAL A 90 4.904 -1.357 -11.430 1.00 41.20 C ATOM 0 H VAL A 90 5.217 0.479 -8.843 1.00 70.23 H new ATOM 0 HA VAL A 90 4.316 -2.352 -8.950 1.00 50.01 H new ATOM 0 HB VAL A 90 6.583 -0.788 -10.181 1.00 70.20 H new ATOM 0 HG11 VAL A 90 7.108 -2.888 -11.445 1.00 1.04 H new ATOM 0 HG12 VAL A 90 7.310 -3.097 -9.690 1.00 1.04 H new ATOM 0 HG13 VAL A 90 5.865 -3.743 -10.502 1.00 1.04 H new ATOM 0 HG21 VAL A 90 5.471 -1.366 -12.361 1.00 41.20 H new ATOM 0 HG22 VAL A 90 4.151 -2.144 -11.457 1.00 41.20 H new ATOM 0 HG23 VAL A 90 4.414 -0.390 -11.312 1.00 41.20 H new ATOM 1277 N GLU A 91 6.871 -1.086 -7.265 1.00 62.44 N ATOM 1278 CA GLU A 91 7.736 -1.239 -6.103 1.00 62.34 C ATOM 1279 C GLU A 91 6.879 -1.549 -4.879 1.00 32.24 C ATOM 1280 O GLU A 91 7.061 -2.567 -4.213 1.00 21.21 O ATOM 1281 CB GLU A 91 8.593 0.033 -5.937 1.00 52.34 C ATOM 1282 CG GLU A 91 9.487 0.057 -4.684 1.00 53.40 C ATOM 1283 CD GLU A 91 10.118 1.440 -4.460 1.00 14.25 C ATOM 1284 OE1 GLU A 91 10.902 1.893 -5.330 1.00 72.21 O ATOM 1285 OE2 GLU A 91 9.807 2.087 -3.427 1.00 23.31 O ATOM 0 H GLU A 91 7.007 -0.191 -7.735 1.00 62.44 H new ATOM 0 HA GLU A 91 8.425 -2.074 -6.232 1.00 62.34 H new ATOM 0 HB2 GLU A 91 9.225 0.144 -6.818 1.00 52.34 H new ATOM 0 HB3 GLU A 91 7.930 0.898 -5.909 1.00 52.34 H new ATOM 0 HG2 GLU A 91 8.896 -0.219 -3.811 1.00 53.40 H new ATOM 0 HG3 GLU A 91 10.274 -0.690 -4.785 1.00 53.40 H new ATOM 1290 N LEU A 92 5.864 -0.727 -4.599 1.00 25.41 N ATOM 1291 CA LEU A 92 5.146 -0.774 -3.346 1.00 51.14 C ATOM 1292 C LEU A 92 4.293 -2.030 -3.307 1.00 71.33 C ATOM 1293 O LEU A 92 3.869 -2.436 -2.241 1.00 1.34 O ATOM 1294 CB LEU A 92 4.291 0.499 -3.207 1.00 11.25 C ATOM 1295 CG LEU A 92 5.101 1.773 -2.888 1.00 22.35 C ATOM 1296 CD1 LEU A 92 6.511 1.912 -3.430 1.00 72.31 C ATOM 1297 CD2 LEU A 92 4.281 3.069 -3.022 1.00 22.43 C ATOM 0 H LEU A 92 5.525 -0.013 -5.244 1.00 25.41 H new ATOM 0 HA LEU A 92 5.839 -0.810 -2.506 1.00 51.14 H new ATOM 0 HB2 LEU A 92 3.739 0.655 -4.134 1.00 11.25 H new ATOM 0 HB3 LEU A 92 3.554 0.344 -2.419 1.00 11.25 H new ATOM 0 HG LEU A 92 5.309 1.598 -1.832 1.00 22.35 H new ATOM 0 HD11 LEU A 92 6.931 2.865 -3.110 1.00 72.31 H new ATOM 0 HD12 LEU A 92 7.128 1.098 -3.051 1.00 72.31 H new ATOM 0 HD13 LEU A 92 6.488 1.873 -4.519 1.00 72.31 H new ATOM 0 HD21 LEU A 92 4.912 3.925 -2.783 1.00 22.43 H new ATOM 0 HD22 LEU A 92 3.913 3.163 -4.044 1.00 22.43 H new ATOM 0 HD23 LEU A 92 3.436 3.038 -2.334 1.00 22.43 H new ATOM 1308 N ARG A 93 4.073 -2.646 -4.460 1.00 71.40 N ATOM 1309 CA ARG A 93 3.271 -3.822 -4.750 1.00 30.11 C ATOM 1310 C ARG A 93 4.060 -5.110 -4.464 1.00 43.02 C ATOM 1311 O ARG A 93 3.456 -6.148 -4.174 1.00 54.20 O ATOM 1312 CB ARG A 93 2.932 -3.675 -6.248 1.00 45.20 C ATOM 1313 CG ARG A 93 1.435 -3.761 -6.589 1.00 24.41 C ATOM 1314 CD ARG A 93 0.612 -2.587 -6.035 1.00 2.42 C ATOM 1315 NE ARG A 93 -0.461 -2.161 -6.956 1.00 13.03 N ATOM 1316 CZ ARG A 93 -1.642 -2.763 -7.164 1.00 34.34 C ATOM 1317 NH1 ARG A 93 -1.971 -3.869 -6.515 1.00 54.10 N ATOM 1318 NH2 ARG A 93 -2.505 -2.249 -8.034 1.00 21.34 N ATOM 0 H ARG A 93 4.504 -2.290 -5.313 1.00 71.40 H new ATOM 0 HA ARG A 93 2.377 -3.893 -4.131 1.00 30.11 H new ATOM 0 HB2 ARG A 93 3.314 -2.716 -6.599 1.00 45.20 H new ATOM 0 HB3 ARG A 93 3.460 -4.451 -6.802 1.00 45.20 H new ATOM 0 HG2 ARG A 93 1.319 -3.797 -7.672 1.00 24.41 H new ATOM 0 HG3 ARG A 93 1.033 -4.694 -6.194 1.00 24.41 H new ATOM 0 HD2 ARG A 93 0.173 -2.875 -5.080 1.00 2.42 H new ATOM 0 HD3 ARG A 93 1.275 -1.744 -5.840 1.00 2.42 H new ATOM 0 HE ARG A 93 -0.284 -1.313 -7.495 1.00 13.03 H new ATOM 0 HH11 ARG A 93 -1.322 -4.278 -5.843 1.00 54.10 H new ATOM 0 HH12 ARG A 93 -2.874 -4.312 -6.687 1.00 54.10 H new ATOM 0 HH21 ARG A 93 -2.270 -1.397 -8.543 1.00 21.34 H new ATOM 0 HH22 ARG A 93 -3.403 -2.706 -8.192 1.00 21.34 H new ATOM 1329 N ALA A 94 5.397 -5.049 -4.491 1.00 5.04 N ATOM 1330 CA ALA A 94 6.290 -6.113 -4.025 1.00 63.21 C ATOM 1331 C ALA A 94 6.728 -5.859 -2.581 1.00 5.45 C ATOM 1332 O ALA A 94 6.757 -6.765 -1.759 1.00 10.33 O ATOM 1333 CB ALA A 94 7.520 -6.188 -4.933 1.00 25.53 C ATOM 0 H ALA A 94 5.899 -4.236 -4.847 1.00 5.04 H new ATOM 0 HA ALA A 94 5.751 -7.060 -4.061 1.00 63.21 H new ATOM 0 HB1 ALA A 94 8.182 -6.980 -4.584 1.00 25.53 H new ATOM 0 HB2 ALA A 94 7.206 -6.402 -5.955 1.00 25.53 H new ATOM 0 HB3 ALA A 94 8.049 -5.235 -4.908 1.00 25.53 H new ATOM 1339 N THR A 95 7.039 -4.612 -2.264 1.00 51.42 N ATOM 1340 CA THR A 95 7.605 -4.167 -1.005 1.00 52.44 C ATOM 1341 C THR A 95 6.538 -4.251 0.094 1.00 5.13 C ATOM 1342 O THR A 95 6.821 -4.820 1.141 1.00 3.01 O ATOM 1343 CB THR A 95 8.209 -2.753 -1.188 1.00 61.51 C ATOM 1344 OG1 THR A 95 9.286 -2.702 -2.109 1.00 21.52 O ATOM 1345 CG2 THR A 95 8.793 -2.217 0.116 1.00 52.42 C ATOM 0 H THR A 95 6.894 -3.842 -2.917 1.00 51.42 H new ATOM 0 HA THR A 95 8.422 -4.815 -0.688 1.00 52.44 H new ATOM 0 HB THR A 95 7.366 -2.164 -1.550 1.00 61.51 H new ATOM 0 HG1 THR A 95 8.934 -2.648 -3.022 1.00 21.52 H new ATOM 0 HG21 THR A 95 9.207 -1.223 -0.052 1.00 52.42 H new ATOM 0 HG22 THR A 95 8.008 -2.160 0.870 1.00 52.42 H new ATOM 0 HG23 THR A 95 9.582 -2.885 0.463 1.00 52.42 H new ATOM 1353 N ALA A 96 5.300 -3.767 -0.111 1.00 14.04 N ATOM 1354 CA ALA A 96 4.292 -3.675 0.956 1.00 43.13 C ATOM 1355 C ALA A 96 3.934 -5.028 1.548 1.00 70.13 C ATOM 1356 O ALA A 96 3.561 -5.108 2.712 1.00 73.13 O ATOM 1357 CB ALA A 96 3.000 -3.049 0.445 1.00 32.14 C ATOM 0 H ALA A 96 4.973 -3.431 -1.017 1.00 14.04 H new ATOM 0 HA ALA A 96 4.749 -3.053 1.726 1.00 43.13 H new ATOM 0 HB1 ALA A 96 2.275 -2.995 1.258 1.00 32.14 H new ATOM 0 HB2 ALA A 96 3.204 -2.045 0.074 1.00 32.14 H new ATOM 0 HB3 ALA A 96 2.595 -3.659 -0.363 1.00 32.14 H new ATOM 1363 N ARG A 97 4.021 -6.073 0.727 1.00 22.11 N ATOM 1364 CA ARG A 97 3.911 -7.463 1.124 1.00 4.03 C ATOM 1365 C ARG A 97 4.895 -7.746 2.260 1.00 2.01 C ATOM 1366 O ARG A 97 4.500 -8.021 3.391 1.00 12.25 O ATOM 1367 CB ARG A 97 4.195 -8.324 -0.120 1.00 41.41 C ATOM 1368 CG ARG A 97 2.959 -8.640 -0.984 1.00 42.10 C ATOM 1369 CD ARG A 97 3.127 -10.056 -1.547 1.00 43.23 C ATOM 1370 NE ARG A 97 2.291 -10.370 -2.717 1.00 54.10 N ATOM 1371 CZ ARG A 97 2.432 -11.520 -3.394 1.00 62.43 C ATOM 1372 NH1 ARG A 97 3.226 -12.479 -2.944 1.00 65.34 N ATOM 1373 NH2 ARG A 97 1.794 -11.741 -4.534 1.00 2.02 N ATOM 0 H ARG A 97 4.177 -5.962 -0.275 1.00 22.11 H new ATOM 0 HA ARG A 97 2.915 -7.699 1.498 1.00 4.03 H new ATOM 0 HB2 ARG A 97 4.932 -7.811 -0.739 1.00 41.41 H new ATOM 0 HB3 ARG A 97 4.646 -9.263 0.201 1.00 41.41 H new ATOM 0 HG2 ARG A 97 2.049 -8.572 -0.388 1.00 42.10 H new ATOM 0 HG3 ARG A 97 2.864 -7.916 -1.794 1.00 42.10 H new ATOM 0 HD2 ARG A 97 4.173 -10.200 -1.819 1.00 43.23 H new ATOM 0 HD3 ARG A 97 2.902 -10.773 -0.757 1.00 43.23 H new ATOM 0 HE ARG A 97 1.587 -9.697 -3.021 1.00 54.10 H new ATOM 0 HH11 ARG A 97 3.740 -12.349 -2.073 1.00 65.34 H new ATOM 0 HH12 ARG A 97 3.324 -13.348 -3.469 1.00 65.34 H new ATOM 0 HH21 ARG A 97 1.176 -11.027 -4.919 1.00 2.02 H new ATOM 0 HH22 ARG A 97 1.921 -12.625 -5.026 1.00 2.02 H new ATOM 1384 N GLU A 98 6.175 -7.651 1.947 1.00 62.50 N ATOM 1385 CA GLU A 98 7.308 -7.925 2.819 1.00 44.23 C ATOM 1386 C GLU A 98 7.291 -6.996 4.045 1.00 1.12 C ATOM 1387 O GLU A 98 7.485 -7.444 5.181 1.00 64.30 O ATOM 1388 CB GLU A 98 8.566 -7.783 1.941 1.00 5.22 C ATOM 1389 CG GLU A 98 9.422 -9.063 1.860 1.00 61.44 C ATOM 1390 CD GLU A 98 10.252 -9.181 0.568 1.00 33.43 C ATOM 1391 OE1 GLU A 98 9.910 -8.500 -0.428 1.00 64.14 O ATOM 1392 OE2 GLU A 98 11.196 -9.998 0.481 1.00 32.23 O ATOM 0 H GLU A 98 6.472 -7.361 1.015 1.00 62.50 H new ATOM 0 HA GLU A 98 7.277 -8.929 3.241 1.00 44.23 H new ATOM 0 HB2 GLU A 98 8.263 -7.496 0.934 1.00 5.22 H new ATOM 0 HB3 GLU A 98 9.180 -6.972 2.332 1.00 5.22 H new ATOM 0 HG2 GLU A 98 10.096 -9.092 2.716 1.00 61.44 H new ATOM 0 HG3 GLU A 98 8.768 -9.931 1.940 1.00 61.44 H new ATOM 1397 N GLN A 99 6.983 -5.715 3.819 1.00 71.31 N ATOM 1398 CA GLN A 99 6.870 -4.658 4.807 1.00 2.04 C ATOM 1399 C GLN A 99 5.825 -4.892 5.892 1.00 53.10 C ATOM 1400 O GLN A 99 5.903 -4.209 6.907 1.00 34.14 O ATOM 1401 CB GLN A 99 6.576 -3.305 4.135 1.00 62.22 C ATOM 1402 CG GLN A 99 7.821 -2.423 4.108 1.00 53.10 C ATOM 1403 CD GLN A 99 7.445 -0.976 3.814 1.00 50.42 C ATOM 1404 OE1 GLN A 99 7.599 -0.068 4.625 1.00 24.44 O ATOM 1405 NE2 GLN A 99 6.909 -0.695 2.644 1.00 43.20 N ATOM 0 H GLN A 99 6.795 -5.375 2.876 1.00 71.31 H new ATOM 0 HA GLN A 99 7.842 -4.655 5.301 1.00 2.04 H new ATOM 0 HB2 GLN A 99 6.221 -3.470 3.118 1.00 62.22 H new ATOM 0 HB3 GLN A 99 5.777 -2.795 4.672 1.00 62.22 H new ATOM 0 HG2 GLN A 99 8.337 -2.483 5.066 1.00 53.10 H new ATOM 0 HG3 GLN A 99 8.514 -2.786 3.349 1.00 53.10 H new ATOM 0 HE21 GLN A 99 6.772 -1.435 1.955 1.00 43.20 H new ATOM 0 HE22 GLN A 99 6.631 0.262 2.427 1.00 43.20 H new ATOM 1412 N ILE A 100 4.853 -5.797 5.722 1.00 70.21 N ATOM 1413 CA ILE A 100 3.863 -6.070 6.763 1.00 71.24 C ATOM 1414 C ILE A 100 4.604 -6.428 8.046 1.00 50.43 C ATOM 1415 O ILE A 100 4.501 -5.688 9.024 1.00 24.12 O ATOM 1416 CB ILE A 100 2.841 -7.144 6.305 1.00 11.04 C ATOM 1417 CG1 ILE A 100 1.862 -6.625 5.230 1.00 5.25 C ATOM 1418 CG2 ILE A 100 2.000 -7.734 7.451 1.00 42.21 C ATOM 1419 CD1 ILE A 100 1.109 -5.338 5.591 1.00 11.23 C ATOM 0 H ILE A 100 4.734 -6.350 4.873 1.00 70.21 H new ATOM 0 HA ILE A 100 3.259 -5.184 6.961 1.00 71.24 H new ATOM 0 HB ILE A 100 3.475 -7.927 5.888 1.00 11.04 H new ATOM 0 HG12 ILE A 100 2.419 -6.454 4.309 1.00 5.25 H new ATOM 0 HG13 ILE A 100 1.132 -7.406 5.021 1.00 5.25 H new ATOM 0 HG21 ILE A 100 1.310 -8.477 7.051 1.00 42.21 H new ATOM 0 HG22 ILE A 100 2.659 -8.206 8.180 1.00 42.21 H new ATOM 0 HG23 ILE A 100 1.435 -6.937 7.935 1.00 42.21 H new ATOM 0 HD11 ILE A 100 0.449 -5.060 4.769 1.00 11.23 H new ATOM 0 HD12 ILE A 100 0.518 -5.503 6.492 1.00 11.23 H new ATOM 0 HD13 ILE A 100 1.825 -4.535 5.769 1.00 11.23 H new ATOM 1430 N ILE A 101 5.379 -7.513 8.035 1.00 2.14 N ATOM 1431 CA ILE A 101 6.062 -7.979 9.232 1.00 3.21 C ATOM 1432 C ILE A 101 7.153 -6.983 9.650 1.00 73.24 C ATOM 1433 O ILE A 101 7.471 -6.892 10.828 1.00 5.44 O ATOM 1434 CB ILE A 101 6.611 -9.399 8.982 1.00 41.21 C ATOM 1435 CG1 ILE A 101 5.413 -10.300 8.608 1.00 64.41 C ATOM 1436 CG2 ILE A 101 7.395 -9.929 10.195 1.00 45.11 C ATOM 1437 CD1 ILE A 101 5.643 -11.784 8.827 1.00 25.32 C ATOM 0 H ILE A 101 5.547 -8.083 7.206 1.00 2.14 H new ATOM 0 HA ILE A 101 5.363 -8.036 10.066 1.00 3.21 H new ATOM 0 HB ILE A 101 7.330 -9.391 8.163 1.00 41.21 H new ATOM 0 HG12 ILE A 101 4.547 -9.990 9.192 1.00 64.41 H new ATOM 0 HG13 ILE A 101 5.165 -10.135 7.559 1.00 64.41 H new ATOM 0 HG21 ILE A 101 7.765 -10.931 9.979 1.00 45.11 H new ATOM 0 HG22 ILE A 101 8.237 -9.268 10.401 1.00 45.11 H new ATOM 0 HG23 ILE A 101 6.739 -9.964 11.065 1.00 45.11 H new ATOM 0 HD11 ILE A 101 4.750 -12.337 8.538 1.00 25.32 H new ATOM 0 HD12 ILE A 101 6.487 -12.115 8.221 1.00 25.32 H new ATOM 0 HD13 ILE A 101 5.858 -11.967 9.880 1.00 25.32 H new ATOM 1448 N SER A 102 7.738 -6.238 8.720 1.00 24.13 N ATOM 1449 CA SER A 102 8.757 -5.231 9.007 1.00 10.32 C ATOM 1450 C SER A 102 8.180 -4.023 9.781 1.00 70.13 C ATOM 1451 O SER A 102 8.931 -3.235 10.362 1.00 10.02 O ATOM 1452 CB SER A 102 9.471 -4.956 7.671 1.00 22.11 C ATOM 1453 OG SER A 102 9.874 -3.632 7.373 1.00 50.02 O ATOM 0 H SER A 102 7.515 -6.317 7.728 1.00 24.13 H new ATOM 0 HA SER A 102 9.516 -5.570 9.712 1.00 10.32 H new ATOM 0 HB2 SER A 102 10.359 -5.587 7.635 1.00 22.11 H new ATOM 0 HB3 SER A 102 8.811 -5.288 6.870 1.00 22.11 H new ATOM 0 HG SER A 102 10.313 -3.613 6.497 1.00 50.02 H new ATOM 1458 N GLU A 103 6.851 -3.892 9.852 1.00 14.04 N ATOM 1459 CA GLU A 103 6.132 -2.825 10.548 1.00 34.41 C ATOM 1460 C GLU A 103 5.287 -3.364 11.728 1.00 53.34 C ATOM 1461 O GLU A 103 4.771 -2.593 12.544 1.00 1.44 O ATOM 1462 CB GLU A 103 5.312 -2.101 9.465 1.00 5.22 C ATOM 1463 CG GLU A 103 4.306 -1.088 10.009 1.00 53.42 C ATOM 1464 CD GLU A 103 3.543 -0.323 8.921 1.00 24.11 C ATOM 1465 OE1 GLU A 103 3.538 -0.739 7.740 1.00 73.54 O ATOM 1466 OE2 GLU A 103 2.869 0.684 9.250 1.00 33.33 O ATOM 0 H GLU A 103 6.221 -4.558 9.405 1.00 14.04 H new ATOM 0 HA GLU A 103 6.811 -2.122 11.031 1.00 34.41 H new ATOM 0 HB2 GLU A 103 5.997 -1.588 8.790 1.00 5.22 H new ATOM 0 HB3 GLU A 103 4.778 -2.844 8.873 1.00 5.22 H new ATOM 0 HG2 GLU A 103 3.589 -1.608 10.644 1.00 53.42 H new ATOM 0 HG3 GLU A 103 4.832 -0.373 10.641 1.00 53.42 H new ATOM 1471 N ILE A 104 5.108 -4.682 11.807 1.00 72.32 N ATOM 1472 CA ILE A 104 4.595 -5.427 12.959 1.00 4.31 C ATOM 1473 C ILE A 104 5.568 -5.279 14.121 1.00 23.32 C ATOM 1474 O ILE A 104 5.078 -4.916 15.214 1.00 10.03 O ATOM 1475 CB ILE A 104 4.338 -6.905 12.564 1.00 41.32 C ATOM 1476 CG1 ILE A 104 3.050 -6.951 11.713 1.00 72.30 C ATOM 1477 CG2 ILE A 104 4.223 -7.888 13.747 1.00 62.52 C ATOM 1478 CD1 ILE A 104 2.586 -8.308 11.186 1.00 73.51 C ATOM 0 H ILE A 104 5.330 -5.296 11.023 1.00 72.32 H new ATOM 0 HA ILE A 104 3.636 -5.023 13.283 1.00 4.31 H new ATOM 0 HB ILE A 104 5.214 -7.242 12.009 1.00 41.32 H new ATOM 0 HG12 ILE A 104 2.241 -6.530 12.309 1.00 72.30 H new ATOM 0 HG13 ILE A 104 3.192 -6.291 10.857 1.00 72.30 H new ATOM 0 HG21 ILE A 104 4.044 -8.894 13.368 1.00 62.52 H new ATOM 0 HG22 ILE A 104 5.149 -7.876 14.321 1.00 62.52 H new ATOM 0 HG23 ILE A 104 3.394 -7.589 14.389 1.00 62.52 H new ATOM 0 HD11 ILE A 104 1.671 -8.180 10.608 1.00 73.51 H new ATOM 0 HD12 ILE A 104 3.361 -8.735 10.549 1.00 73.51 H new ATOM 0 HD13 ILE A 104 2.395 -8.978 12.024 1.00 73.51 H new