USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 MET CE :methyl -146:sc= -0.135 (180deg=-1.05) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.77 USER MOD Single : A 19 TYR OH : rot -178:sc= 1.2 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 63 GLN : amide:sc= -0.0666 X(o=-0.067,f=-0.067) USER MOD Single : A 66 SER OG : rot 71:sc= 0.567 USER MOD Single : A 67 SER OG : rot 140:sc= -0.0823 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00907 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 17.453 2.070 -6.293 1.00 33.23 N ATOM 118 CA ALA A 10 18.241 2.613 -7.401 1.00 24.42 C ATOM 119 C ALA A 10 18.633 1.496 -8.359 1.00 45.12 C ATOM 120 O ALA A 10 18.697 1.690 -9.566 1.00 54.32 O ATOM 121 CB ALA A 10 19.509 3.281 -6.828 1.00 64.50 C ATOM 0 HA ALA A 10 17.649 3.348 -7.947 1.00 24.42 H new ATOM 0 HB1 ALA A 10 20.105 3.690 -7.644 1.00 64.50 H new ATOM 0 HB2 ALA A 10 19.222 4.085 -6.150 1.00 64.50 H new ATOM 0 HB3 ALA A 10 20.096 2.541 -6.285 1.00 64.50 H new ATOM 127 N THR A 11 18.886 0.327 -7.833 1.00 32.31 N ATOM 128 CA THR A 11 19.358 -0.782 -8.642 1.00 43.22 C ATOM 129 C THR A 11 18.334 -1.283 -9.655 1.00 10.44 C ATOM 130 O THR A 11 18.677 -1.824 -10.673 1.00 11.23 O ATOM 131 CB THR A 11 19.782 -1.942 -7.710 1.00 32.52 C ATOM 132 OG1 THR A 11 20.274 -1.420 -6.494 1.00 24.30 O ATOM 133 CG2 THR A 11 20.930 -2.727 -8.358 1.00 14.23 C ATOM 0 H THR A 11 18.774 0.110 -6.843 1.00 32.31 H new ATOM 0 HA THR A 11 20.204 -0.414 -9.222 1.00 43.22 H new ATOM 0 HB THR A 11 18.916 -2.582 -7.538 1.00 32.52 H new ATOM 0 HG1 THR A 11 20.540 -2.157 -5.905 1.00 24.30 H new ATOM 0 HG21 THR A 11 21.228 -3.544 -7.701 1.00 14.23 H new ATOM 0 HG22 THR A 11 20.599 -3.132 -9.314 1.00 14.23 H new ATOM 0 HG23 THR A 11 21.779 -2.063 -8.520 1.00 14.23 H new ATOM 141 N GLU A 12 17.063 -1.063 -9.402 1.00 51.43 N ATOM 142 CA GLU A 12 15.994 -1.505 -10.368 1.00 24.53 C ATOM 143 C GLU A 12 16.104 -0.757 -11.692 1.00 55.33 C ATOM 144 O GLU A 12 15.769 -1.297 -12.747 1.00 61.02 O ATOM 145 CB GLU A 12 14.601 -1.266 -9.758 1.00 63.21 C ATOM 146 CG GLU A 12 14.416 -1.997 -8.403 1.00 15.41 C ATOM 147 CD GLU A 12 13.130 -1.637 -7.740 1.00 2.11 C ATOM 148 OE1 GLU A 12 12.195 -1.189 -8.435 1.00 44.41 O ATOM 149 OE2 GLU A 12 13.090 -1.750 -6.531 1.00 44.42 O ATOM 0 H GLU A 12 16.716 -0.595 -8.565 1.00 51.43 H new ATOM 0 HA GLU A 12 16.134 -2.569 -10.559 1.00 24.53 H new ATOM 0 HB2 GLU A 12 14.449 -0.196 -9.614 1.00 63.21 H new ATOM 0 HB3 GLU A 12 13.838 -1.605 -10.458 1.00 63.21 H new ATOM 0 HG2 GLU A 12 14.450 -3.074 -8.566 1.00 15.41 H new ATOM 0 HG3 GLU A 12 15.246 -1.748 -7.742 1.00 15.41 H new ATOM 156 N LYS A 13 16.673 0.458 -11.635 1.00 43.42 N ATOM 157 CA LYS A 13 16.825 1.237 -12.846 1.00 34.32 C ATOM 158 C LYS A 13 17.889 0.656 -13.782 1.00 23.54 C ATOM 159 O LYS A 13 17.810 0.829 -15.006 1.00 35.43 O ATOM 160 CB LYS A 13 17.159 2.701 -12.516 1.00 31.25 C ATOM 161 CG LYS A 13 18.654 3.040 -12.442 1.00 31.05 C ATOM 162 CD LYS A 13 18.855 4.421 -11.808 1.00 73.10 C ATOM 163 CE LYS A 13 20.318 4.737 -11.658 1.00 43.01 C ATOM 164 NZ LYS A 13 20.439 6.083 -10.997 1.00 24.04 N ATOM 0 H LYS A 13 17.022 0.901 -10.785 1.00 43.42 H new ATOM 0 HA LYS A 13 15.869 1.196 -13.367 1.00 34.32 H new ATOM 0 HB2 LYS A 13 16.697 3.339 -13.269 1.00 31.25 H new ATOM 0 HB3 LYS A 13 16.700 2.953 -11.560 1.00 31.25 H new ATOM 0 HG2 LYS A 13 19.177 2.284 -11.856 1.00 31.05 H new ATOM 0 HG3 LYS A 13 19.087 3.025 -13.442 1.00 31.05 H new ATOM 0 HD2 LYS A 13 18.376 5.182 -12.425 1.00 73.10 H new ATOM 0 HD3 LYS A 13 18.371 4.451 -10.832 1.00 73.10 H new ATOM 0 HE2 LYS A 13 20.813 3.973 -11.059 1.00 43.01 H new ATOM 0 HE3 LYS A 13 20.808 4.746 -12.632 1.00 43.01 H new ATOM 0 HZ1 LYS A 13 21.444 6.324 -10.882 1.00 24.04 H new ATOM 0 HZ2 LYS A 13 19.976 6.803 -11.588 1.00 24.04 H new ATOM 0 HZ3 LYS A 13 19.981 6.054 -10.064 1.00 24.04 H new ATOM 178 N VAL A 14 18.914 0.044 -13.224 1.00 31.24 N ATOM 179 CA VAL A 14 19.994 -0.517 -14.049 1.00 13.04 C ATOM 180 C VAL A 14 19.527 -1.790 -14.734 1.00 12.24 C ATOM 181 O VAL A 14 19.823 -2.024 -15.895 1.00 13.13 O ATOM 182 CB VAL A 14 21.305 -0.778 -13.269 1.00 43.33 C ATOM 183 CG1 VAL A 14 21.395 0.286 -12.081 1.00 42.34 C ATOM 184 CG2 VAL A 14 21.347 -2.217 -12.617 1.00 41.55 C ATOM 0 H VAL A 14 19.033 -0.083 -12.219 1.00 31.24 H new ATOM 0 HA VAL A 14 20.231 0.242 -14.795 1.00 13.04 H new ATOM 0 HB VAL A 14 22.132 -0.696 -13.975 1.00 43.33 H new ATOM 0 HG11 VAL A 14 22.312 0.123 -11.515 1.00 42.34 H new ATOM 0 HG12 VAL A 14 21.399 1.294 -12.495 1.00 42.34 H new ATOM 0 HG13 VAL A 14 20.536 0.168 -11.421 1.00 42.34 H new ATOM 0 HG21 VAL A 14 22.288 -2.347 -12.082 1.00 41.55 H new ATOM 0 HG22 VAL A 14 20.516 -2.325 -11.920 1.00 41.55 H new ATOM 0 HG23 VAL A 14 21.266 -2.973 -13.398 1.00 41.55 H new ATOM 194 N LEU A 15 18.640 -2.537 -14.092 1.00 0.51 N ATOM 195 CA LEU A 15 18.086 -3.766 -14.662 1.00 75.32 C ATOM 196 C LEU A 15 17.026 -3.437 -15.700 1.00 43.44 C ATOM 197 O LEU A 15 17.045 -3.973 -16.804 1.00 61.33 O ATOM 198 CB LEU A 15 17.517 -4.591 -13.521 1.00 43.01 C ATOM 199 CG LEU A 15 18.479 -5.101 -12.453 1.00 53.41 C ATOM 200 CD1 LEU A 15 17.785 -5.176 -11.079 1.00 53.32 C ATOM 201 CD2 LEU A 15 18.985 -6.462 -12.819 1.00 50.02 C ATOM 0 H LEU A 15 18.282 -2.313 -13.164 1.00 0.51 H new ATOM 0 HA LEU A 15 18.860 -4.338 -15.173 1.00 75.32 H new ATOM 0 HB2 LEU A 15 16.755 -3.991 -13.024 1.00 43.01 H new ATOM 0 HB3 LEU A 15 17.011 -5.454 -13.954 1.00 43.01 H new ATOM 0 HG LEU A 15 19.313 -4.402 -12.393 1.00 53.41 H new ATOM 0 HD11 LEU A 15 18.491 -5.542 -10.334 1.00 53.32 H new ATOM 0 HD12 LEU A 15 17.437 -4.183 -10.792 1.00 53.32 H new ATOM 0 HD13 LEU A 15 16.935 -5.855 -11.138 1.00 53.32 H new ATOM 0 HD21 LEU A 15 19.671 -6.815 -12.049 1.00 50.02 H new ATOM 0 HD22 LEU A 15 18.145 -7.152 -12.901 1.00 50.02 H new ATOM 0 HD23 LEU A 15 19.508 -6.411 -13.774 1.00 50.02 H new ATOM 213 N CYS A 16 16.235 -2.410 -15.415 1.00 54.22 N ATOM 214 CA CYS A 16 15.329 -1.874 -16.436 1.00 21.11 C ATOM 215 C CYS A 16 16.084 -1.433 -17.701 1.00 31.43 C ATOM 216 O CYS A 16 15.493 -1.490 -18.795 1.00 11.11 O ATOM 217 CB CYS A 16 14.559 -0.669 -15.835 1.00 61.03 C ATOM 218 SG CYS A 16 13.267 0.015 -16.872 1.00 30.51 S ATOM 0 H CYS A 16 16.197 -1.938 -14.511 1.00 54.22 H new ATOM 0 HA CYS A 16 14.637 -2.663 -16.731 1.00 21.11 H new ATOM 0 HB2 CYS A 16 14.116 -0.979 -14.889 1.00 61.03 H new ATOM 0 HB3 CYS A 16 15.275 0.121 -15.608 1.00 61.03 H new ATOM 0 HG CYS A 16 12.700 1.011 -16.258 1.00 30.51 H new ATOM 224 N ALA A 17 17.277 -0.873 -17.555 1.00 2.51 N ATOM 225 CA ALA A 17 18.030 -0.413 -18.712 1.00 64.32 C ATOM 226 C ALA A 17 18.591 -1.565 -19.521 1.00 11.25 C ATOM 227 O ALA A 17 18.506 -1.585 -20.754 1.00 12.12 O ATOM 228 CB ALA A 17 19.172 0.492 -18.301 1.00 62.13 C ATOM 0 H ALA A 17 17.739 -0.728 -16.658 1.00 2.51 H new ATOM 0 HA ALA A 17 17.325 0.143 -19.331 1.00 64.32 H new ATOM 0 HB1 ALA A 17 19.715 0.819 -19.188 1.00 62.13 H new ATOM 0 HB2 ALA A 17 18.776 1.362 -17.777 1.00 62.13 H new ATOM 0 HB3 ALA A 17 19.848 -0.052 -17.642 1.00 62.13 H new ATOM 234 N LEU A 18 19.142 -2.520 -18.814 1.00 54.31 N ATOM 235 CA LEU A 18 19.750 -3.666 -19.452 1.00 13.03 C ATOM 236 C LEU A 18 18.718 -4.488 -20.207 1.00 54.52 C ATOM 237 O LEU A 18 18.937 -4.913 -21.331 1.00 62.25 O ATOM 238 CB LEU A 18 20.470 -4.490 -18.399 1.00 34.11 C ATOM 239 CG LEU A 18 21.994 -4.335 -18.232 1.00 73.34 C ATOM 240 CD1 LEU A 18 22.749 -4.468 -19.557 1.00 53.03 C ATOM 241 CD2 LEU A 18 22.397 -3.053 -17.580 1.00 11.00 C ATOM 0 H LEU A 18 19.183 -2.529 -17.795 1.00 54.31 H new ATOM 0 HA LEU A 18 20.476 -3.329 -20.192 1.00 13.03 H new ATOM 0 HB2 LEU A 18 20.010 -4.265 -17.437 1.00 34.11 H new ATOM 0 HB3 LEU A 18 20.269 -5.540 -18.611 1.00 34.11 H new ATOM 0 HG LEU A 18 22.271 -5.158 -17.573 1.00 73.34 H new ATOM 0 HD11 LEU A 18 23.818 -4.350 -19.380 1.00 53.03 H new ATOM 0 HD12 LEU A 18 22.558 -5.451 -19.987 1.00 53.03 H new ATOM 0 HD13 LEU A 18 22.409 -3.697 -20.249 1.00 53.03 H new ATOM 0 HD21 LEU A 18 23.483 -3.013 -17.496 1.00 11.00 H new ATOM 0 HD22 LEU A 18 22.049 -2.214 -18.182 1.00 11.00 H new ATOM 0 HD23 LEU A 18 21.954 -2.995 -16.586 1.00 11.00 H new ATOM 253 N TYR A 19 17.541 -4.661 -19.584 1.00 63.14 N ATOM 254 CA TYR A 19 16.416 -5.317 -20.248 1.00 3.04 C ATOM 255 C TYR A 19 16.035 -4.597 -21.562 1.00 4.12 C ATOM 256 O TYR A 19 15.884 -5.256 -22.607 1.00 55.11 O ATOM 257 CB TYR A 19 15.166 -5.276 -19.367 1.00 73.25 C ATOM 258 CG TYR A 19 15.011 -6.369 -18.306 1.00 51.34 C ATOM 259 CD1 TYR A 19 16.101 -6.836 -17.520 1.00 31.42 C ATOM 260 CD2 TYR A 19 13.742 -6.950 -18.059 1.00 11.24 C ATOM 261 CE1 TYR A 19 15.874 -7.862 -16.565 1.00 20.32 C ATOM 262 CE2 TYR A 19 13.542 -7.975 -17.076 1.00 71.12 C ATOM 263 CZ TYR A 19 14.629 -8.420 -16.351 1.00 1.54 C ATOM 264 OH TYR A 19 14.484 -9.421 -15.445 1.00 0.22 O ATOM 0 H TYR A 19 17.350 -4.357 -18.629 1.00 63.14 H new ATOM 0 HA TYR A 19 16.736 -6.341 -20.444 1.00 3.04 H new ATOM 0 HB2 TYR A 19 15.143 -4.311 -18.861 1.00 73.25 H new ATOM 0 HB3 TYR A 19 14.294 -5.315 -20.019 1.00 73.25 H new ATOM 0 HD1 TYR A 19 17.088 -6.416 -17.648 1.00 31.42 H new ATOM 0 HD2 TYR A 19 12.893 -6.608 -18.633 1.00 11.24 H new ATOM 0 HE1 TYR A 19 16.709 -8.221 -15.982 1.00 20.32 H new ATOM 0 HE2 TYR A 19 12.560 -8.391 -16.906 1.00 71.12 H new ATOM 0 HH TYR A 19 13.552 -9.723 -15.437 1.00 0.22 H new ATOM 274 N ALA A 20 15.947 -3.266 -21.503 1.00 43.03 N ATOM 275 CA ALA A 20 15.543 -2.487 -22.674 1.00 0.33 C ATOM 276 C ALA A 20 16.518 -2.614 -23.847 1.00 1.31 C ATOM 277 O ALA A 20 16.099 -2.705 -24.990 1.00 61.30 O ATOM 278 CB ALA A 20 15.366 -1.027 -22.310 1.00 45.55 C ATOM 0 H ALA A 20 16.147 -2.713 -20.670 1.00 43.03 H new ATOM 0 HA ALA A 20 14.591 -2.904 -23.002 1.00 0.33 H new ATOM 0 HB1 ALA A 20 15.066 -0.465 -23.195 1.00 45.55 H new ATOM 0 HB2 ALA A 20 14.597 -0.934 -21.543 1.00 45.55 H new ATOM 0 HB3 ALA A 20 16.307 -0.630 -21.931 1.00 45.55 H new ATOM 284 N GLU A 21 17.813 -2.576 -23.551 1.00 63.43 N ATOM 285 CA GLU A 21 18.868 -2.675 -24.575 1.00 44.03 C ATOM 286 C GLU A 21 18.742 -3.973 -25.411 1.00 22.11 C ATOM 287 O GLU A 21 18.749 -3.978 -26.635 1.00 4.50 O ATOM 288 CB GLU A 21 20.250 -2.578 -23.916 1.00 14.11 C ATOM 289 CG GLU A 21 20.655 -1.149 -23.413 1.00 1.40 C ATOM 290 CD GLU A 21 22.126 -1.050 -22.931 1.00 33.40 C ATOM 291 OE1 GLU A 21 22.851 -2.092 -22.958 1.00 0.03 O ATOM 292 OE2 GLU A 21 22.581 0.068 -22.576 1.00 1.41 O ATOM 0 H GLU A 21 18.169 -2.476 -22.600 1.00 63.43 H new ATOM 0 HA GLU A 21 18.746 -1.840 -25.265 1.00 44.03 H new ATOM 0 HB2 GLU A 21 20.280 -3.265 -23.070 1.00 14.11 H new ATOM 0 HB3 GLU A 21 20.999 -2.919 -24.630 1.00 14.11 H new ATOM 0 HG2 GLU A 21 20.497 -0.432 -24.219 1.00 1.40 H new ATOM 0 HG3 GLU A 21 19.994 -0.861 -22.596 1.00 1.40 H new ATOM 299 N ILE A 22 18.589 -5.088 -24.699 1.00 62.21 N ATOM 300 CA ILE A 22 18.616 -6.406 -25.337 1.00 24.42 C ATOM 301 C ILE A 22 17.318 -6.700 -26.092 1.00 13.33 C ATOM 302 O ILE A 22 17.329 -7.246 -27.168 1.00 60.14 O ATOM 303 CB ILE A 22 18.812 -7.495 -24.279 1.00 44.44 C ATOM 304 CG1 ILE A 22 20.191 -7.298 -23.624 1.00 14.34 C ATOM 305 CG2 ILE A 22 18.758 -8.956 -24.952 1.00 24.33 C ATOM 306 CD1 ILE A 22 20.401 -8.042 -22.317 1.00 32.21 C ATOM 0 H ILE A 22 18.446 -5.108 -23.689 1.00 62.21 H new ATOM 0 HA ILE A 22 19.444 -6.402 -26.046 1.00 24.42 H new ATOM 0 HB ILE A 22 18.016 -7.421 -23.538 1.00 44.44 H new ATOM 0 HG12 ILE A 22 20.959 -7.614 -24.330 1.00 14.34 H new ATOM 0 HG13 ILE A 22 20.341 -6.233 -23.445 1.00 14.34 H new ATOM 0 HG21 ILE A 22 18.899 -9.716 -24.184 1.00 24.33 H new ATOM 0 HG22 ILE A 22 17.790 -9.100 -25.431 1.00 24.33 H new ATOM 0 HG23 ILE A 22 19.548 -9.043 -25.698 1.00 24.33 H new ATOM 0 HD11 ILE A 22 21.402 -7.837 -21.938 1.00 32.21 H new ATOM 0 HD12 ILE A 22 19.662 -7.711 -21.587 1.00 32.21 H new ATOM 0 HD13 ILE A 22 20.289 -9.113 -22.486 1.00 32.21 H new ATOM 318 N LEU A 23 16.172 -6.251 -25.569 1.00 72.54 N ATOM 319 CA LEU A 23 14.918 -6.475 -26.255 1.00 75.14 C ATOM 320 C LEU A 23 14.658 -5.363 -27.263 1.00 43.34 C ATOM 321 O LEU A 23 13.715 -5.445 -28.019 1.00 72.44 O ATOM 322 CB LEU A 23 13.778 -6.572 -25.259 1.00 65.14 C ATOM 323 CG LEU A 23 13.815 -7.905 -24.483 1.00 11.21 C ATOM 324 CD1 LEU A 23 13.477 -7.637 -23.053 1.00 5.20 C ATOM 325 CD2 LEU A 23 12.785 -8.882 -25.074 1.00 23.03 C ATOM 0 H LEU A 23 16.097 -5.741 -24.689 1.00 72.54 H new ATOM 0 HA LEU A 23 14.982 -7.420 -26.795 1.00 75.14 H new ATOM 0 HB2 LEU A 23 13.835 -5.740 -24.557 1.00 65.14 H new ATOM 0 HB3 LEU A 23 12.827 -6.482 -25.784 1.00 65.14 H new ATOM 0 HG LEU A 23 14.809 -8.346 -24.559 1.00 11.21 H new ATOM 0 HD11 LEU A 23 13.499 -8.572 -22.492 1.00 5.20 H new ATOM 0 HD12 LEU A 23 14.204 -6.943 -22.631 1.00 5.20 H new ATOM 0 HD13 LEU A 23 12.480 -7.200 -22.990 1.00 5.20 H new ATOM 0 HD21 LEU A 23 12.816 -9.821 -24.522 1.00 23.03 H new ATOM 0 HD22 LEU A 23 11.788 -8.449 -24.998 1.00 23.03 H new ATOM 0 HD23 LEU A 23 13.020 -9.069 -26.122 1.00 23.03 H new ATOM 337 N GLY A 24 15.430 -4.307 -27.263 1.00 42.41 N ATOM 338 CA GLY A 24 15.305 -3.228 -28.259 1.00 23.12 C ATOM 339 C GLY A 24 14.074 -2.378 -28.120 1.00 61.43 C ATOM 340 O GLY A 24 13.552 -1.922 -29.116 1.00 0.50 O ATOM 0 H GLY A 24 16.170 -4.153 -26.578 1.00 42.41 H new ATOM 0 HA2 GLY A 24 16.182 -2.585 -28.189 1.00 23.12 H new ATOM 0 HA3 GLY A 24 15.313 -3.670 -29.255 1.00 23.12 H new ATOM 344 N VAL A 25 13.567 -2.239 -26.909 1.00 24.30 N ATOM 345 CA VAL A 25 12.294 -1.530 -26.664 1.00 32.22 C ATOM 346 C VAL A 25 12.601 -0.127 -26.236 1.00 54.34 C ATOM 347 O VAL A 25 13.676 0.213 -25.701 1.00 61.52 O ATOM 348 CB VAL A 25 11.471 -2.177 -25.520 1.00 43.15 C ATOM 349 CG1 VAL A 25 10.944 -3.489 -25.911 1.00 44.22 C ATOM 350 CG2 VAL A 25 12.312 -2.233 -24.248 1.00 10.03 C ATOM 0 H VAL A 25 14.009 -2.605 -26.066 1.00 24.30 H new ATOM 0 HA VAL A 25 11.717 -1.572 -27.588 1.00 32.22 H new ATOM 0 HB VAL A 25 10.599 -1.557 -25.314 1.00 43.15 H new ATOM 0 HG11 VAL A 25 10.373 -3.913 -25.085 1.00 44.22 H new ATOM 0 HG12 VAL A 25 10.296 -3.376 -26.780 1.00 44.22 H new ATOM 0 HG13 VAL A 25 11.771 -4.154 -26.159 1.00 44.22 H new ATOM 0 HG21 VAL A 25 11.730 -2.688 -23.447 1.00 10.03 H new ATOM 0 HG22 VAL A 25 13.207 -2.828 -24.430 1.00 10.03 H new ATOM 0 HG23 VAL A 25 12.601 -1.223 -23.958 1.00 10.03 H new ATOM 360 N GLU A 26 11.606 0.727 -26.438 1.00 62.21 N ATOM 361 CA GLU A 26 11.671 2.088 -26.036 1.00 32.43 C ATOM 362 C GLU A 26 11.538 2.298 -24.564 1.00 41.14 C ATOM 363 O GLU A 26 12.142 3.209 -23.988 1.00 11.41 O ATOM 364 CB GLU A 26 10.522 2.805 -26.688 1.00 4.42 C ATOM 365 CG GLU A 26 10.607 2.814 -28.197 1.00 4.44 C ATOM 366 CD GLU A 26 11.794 3.711 -28.656 1.00 65.11 C ATOM 367 OE1 GLU A 26 11.817 4.918 -28.355 1.00 51.35 O ATOM 368 OE2 GLU A 26 12.607 3.198 -29.403 1.00 65.32 O ATOM 0 H GLU A 26 10.729 0.471 -26.893 1.00 62.21 H new ATOM 0 HA GLU A 26 12.653 2.460 -26.330 1.00 32.43 H new ATOM 0 HB2 GLU A 26 9.588 2.332 -26.386 1.00 4.42 H new ATOM 0 HB3 GLU A 26 10.490 3.833 -26.326 1.00 4.42 H new ATOM 0 HG2 GLU A 26 10.743 1.798 -28.568 1.00 4.44 H new ATOM 0 HG3 GLU A 26 9.674 3.186 -28.620 1.00 4.44 H new ATOM 375 N ARG A 27 10.765 1.442 -23.907 1.00 45.03 N ATOM 376 CA ARG A 27 10.590 1.585 -22.470 1.00 22.04 C ATOM 377 C ARG A 27 10.250 0.261 -21.847 1.00 74.00 C ATOM 378 O ARG A 27 9.563 -0.525 -22.488 1.00 42.13 O ATOM 379 CB ARG A 27 9.475 2.599 -22.181 1.00 75.35 C ATOM 380 CG ARG A 27 9.658 3.313 -20.811 1.00 23.44 C ATOM 381 CD ARG A 27 8.703 4.456 -20.615 1.00 1.14 C ATOM 382 NE ARG A 27 7.324 4.010 -20.302 1.00 63.20 N ATOM 383 CZ ARG A 27 6.276 4.807 -20.230 1.00 51.13 C ATOM 384 NH1 ARG A 27 6.394 6.112 -20.405 1.00 14.44 N ATOM 385 NH2 ARG A 27 5.111 4.294 -19.931 1.00 12.24 N ATOM 0 H ARG A 27 10.263 0.663 -24.333 1.00 45.03 H new ATOM 0 HA ARG A 27 11.525 1.943 -22.038 1.00 22.04 H new ATOM 0 HB2 ARG A 27 9.452 3.345 -22.975 1.00 75.35 H new ATOM 0 HB3 ARG A 27 8.512 2.089 -22.195 1.00 75.35 H new ATOM 0 HG2 ARG A 27 9.519 2.589 -20.008 1.00 23.44 H new ATOM 0 HG3 ARG A 27 10.680 3.683 -20.734 1.00 23.44 H new ATOM 0 HD2 ARG A 27 9.066 5.091 -19.807 1.00 1.14 H new ATOM 0 HD3 ARG A 27 8.686 5.067 -21.518 1.00 1.14 H new ATOM 0 HE ARG A 27 7.175 3.016 -20.130 1.00 63.20 H new ATOM 0 HH11 ARG A 27 7.308 6.520 -20.600 1.00 14.44 H new ATOM 0 HH12 ARG A 27 5.571 6.711 -20.345 1.00 14.44 H new ATOM 0 HH21 ARG A 27 5.024 3.293 -19.758 1.00 12.24 H new ATOM 0 HH22 ARG A 27 4.289 4.895 -19.871 1.00 12.24 H new ATOM 399 N VAL A 28 10.721 0.059 -20.630 1.00 22.02 N ATOM 400 CA VAL A 28 10.400 -1.120 -19.789 1.00 24.11 C ATOM 401 C VAL A 28 9.833 -0.613 -18.438 1.00 15.42 C ATOM 402 O VAL A 28 10.351 0.420 -17.917 1.00 61.45 O ATOM 403 CB VAL A 28 11.702 -1.974 -19.497 1.00 44.41 C ATOM 404 CG1 VAL A 28 11.519 -3.077 -18.432 1.00 43.03 C ATOM 405 CG2 VAL A 28 12.206 -2.647 -20.790 1.00 13.55 C ATOM 0 H VAL A 28 11.354 0.715 -20.172 1.00 22.02 H new ATOM 0 HA VAL A 28 9.678 -1.746 -20.314 1.00 24.11 H new ATOM 0 HB VAL A 28 12.423 -1.256 -19.106 1.00 44.41 H new ATOM 0 HG11 VAL A 28 12.459 -3.611 -18.296 1.00 43.03 H new ATOM 0 HG12 VAL A 28 11.219 -2.624 -17.487 1.00 43.03 H new ATOM 0 HG13 VAL A 28 10.749 -3.776 -18.760 1.00 43.03 H new ATOM 0 HG21 VAL A 28 13.101 -3.230 -20.572 1.00 13.55 H new ATOM 0 HG22 VAL A 28 11.431 -3.305 -21.183 1.00 13.55 H new ATOM 0 HG23 VAL A 28 12.442 -1.882 -21.530 1.00 13.55 H new ATOM 415 N GLY A 29 8.842 -1.297 -17.873 1.00 32.44 N ATOM 416 CA GLY A 29 8.408 -0.977 -16.528 1.00 51.12 C ATOM 417 C GLY A 29 9.120 -1.910 -15.572 1.00 51.23 C ATOM 418 O GLY A 29 9.539 -2.986 -15.939 1.00 75.22 O ATOM 0 H GLY A 29 8.336 -2.061 -18.320 1.00 32.44 H new ATOM 0 HA2 GLY A 29 8.639 0.061 -16.290 1.00 51.12 H new ATOM 0 HA3 GLY A 29 7.328 -1.092 -16.439 1.00 51.12 H new ATOM 422 N VAL A 30 9.225 -1.526 -14.309 1.00 12.12 N ATOM 423 CA VAL A 30 9.956 -2.358 -13.337 1.00 45.21 C ATOM 424 C VAL A 30 9.221 -3.637 -12.954 1.00 73.35 C ATOM 425 O VAL A 30 9.749 -4.482 -12.240 1.00 10.03 O ATOM 426 CB VAL A 30 10.300 -1.493 -12.052 1.00 63.31 C ATOM 427 CG1 VAL A 30 11.389 -0.499 -12.427 1.00 53.35 C ATOM 428 CG2 VAL A 30 9.047 -0.794 -11.499 1.00 42.11 C ATOM 0 H VAL A 30 8.828 -0.667 -13.929 1.00 12.12 H new ATOM 0 HA VAL A 30 10.876 -2.685 -13.822 1.00 45.21 H new ATOM 0 HB VAL A 30 10.663 -2.139 -11.252 1.00 63.31 H new ATOM 0 HG11 VAL A 30 11.643 0.108 -11.558 1.00 53.35 H new ATOM 0 HG12 VAL A 30 12.274 -1.039 -12.763 1.00 53.35 H new ATOM 0 HG13 VAL A 30 11.032 0.147 -13.229 1.00 53.35 H new ATOM 0 HG21 VAL A 30 9.315 -0.209 -10.619 1.00 42.11 H new ATOM 0 HG22 VAL A 30 8.633 -0.134 -12.261 1.00 42.11 H new ATOM 0 HG23 VAL A 30 8.304 -1.543 -11.224 1.00 42.11 H new ATOM 438 N ASP A 31 7.971 -3.778 -13.451 1.00 0.33 N ATOM 439 CA ASP A 31 7.156 -4.952 -13.181 1.00 54.32 C ATOM 440 C ASP A 31 6.931 -5.768 -14.456 1.00 50.44 C ATOM 441 O ASP A 31 6.109 -6.673 -14.485 1.00 33.25 O ATOM 442 CB ASP A 31 5.818 -4.551 -12.647 1.00 10.11 C ATOM 443 CG ASP A 31 5.124 -5.704 -11.930 1.00 14.41 C ATOM 444 OD1 ASP A 31 5.810 -6.512 -11.304 1.00 63.40 O ATOM 445 OD2 ASP A 31 3.870 -5.651 -11.827 1.00 4.52 O ATOM 0 H ASP A 31 7.516 -3.082 -14.042 1.00 0.33 H new ATOM 0 HA ASP A 31 7.691 -5.554 -12.446 1.00 54.32 H new ATOM 0 HB2 ASP A 31 5.938 -3.715 -11.958 1.00 10.11 H new ATOM 0 HB3 ASP A 31 5.190 -4.202 -13.466 1.00 10.11 H new ATOM 450 N ASP A 32 7.633 -5.375 -15.517 1.00 43.04 N ATOM 451 CA ASP A 32 7.485 -6.087 -16.766 1.00 51.52 C ATOM 452 C ASP A 32 8.346 -7.290 -16.700 1.00 32.34 C ATOM 453 O ASP A 32 9.575 -7.162 -16.576 1.00 24.13 O ATOM 454 CB ASP A 32 7.935 -5.246 -17.946 1.00 35.34 C ATOM 455 CG ASP A 32 6.917 -4.174 -18.338 1.00 10.34 C ATOM 456 OD1 ASP A 32 5.723 -4.237 -17.949 1.00 3.24 O ATOM 457 OD2 ASP A 32 7.353 -3.203 -18.986 1.00 43.55 O ATOM 0 H ASP A 32 8.287 -4.593 -15.532 1.00 43.04 H new ATOM 0 HA ASP A 32 6.434 -6.338 -16.907 1.00 51.52 H new ATOM 0 HB2 ASP A 32 8.884 -4.767 -17.703 1.00 35.34 H new ATOM 0 HB3 ASP A 32 8.116 -5.897 -18.801 1.00 35.34 H new ATOM 462 N ALA A 33 7.770 -8.465 -16.765 1.00 13.45 N ATOM 463 CA ALA A 33 8.557 -9.659 -16.744 1.00 55.35 C ATOM 464 C ALA A 33 9.277 -9.767 -18.108 1.00 53.12 C ATOM 465 O ALA A 33 8.774 -9.363 -19.139 1.00 15.35 O ATOM 466 CB ALA A 33 7.677 -10.838 -16.488 1.00 20.51 C ATOM 0 H ALA A 33 6.763 -8.613 -16.832 1.00 13.45 H new ATOM 0 HA ALA A 33 9.299 -9.632 -15.946 1.00 55.35 H new ATOM 0 HB1 ALA A 33 8.280 -11.746 -16.473 1.00 20.51 H new ATOM 0 HB2 ALA A 33 7.178 -10.718 -15.526 1.00 20.51 H new ATOM 0 HB3 ALA A 33 6.929 -10.912 -17.278 1.00 20.51 H new ATOM 472 N PHE A 34 10.464 -10.361 -18.062 1.00 63.14 N ATOM 473 CA PHE A 34 11.298 -10.517 -19.241 1.00 43.14 C ATOM 474 C PHE A 34 10.564 -11.335 -20.317 1.00 22.33 C ATOM 475 O PHE A 34 10.651 -11.083 -21.529 1.00 35.45 O ATOM 476 CB PHE A 34 12.625 -11.169 -18.839 1.00 15.01 C ATOM 477 CG PHE A 34 13.687 -11.083 -19.889 1.00 32.42 C ATOM 478 CD1 PHE A 34 14.311 -9.874 -20.150 1.00 14.33 C ATOM 479 CD2 PHE A 34 14.058 -12.210 -20.600 1.00 71.01 C ATOM 480 CE1 PHE A 34 15.362 -9.762 -21.152 1.00 12.43 C ATOM 481 CE2 PHE A 34 15.100 -12.146 -21.597 1.00 51.11 C ATOM 482 CZ PHE A 34 15.738 -10.902 -21.858 1.00 53.13 C ATOM 0 H PHE A 34 10.871 -10.745 -17.209 1.00 63.14 H new ATOM 0 HA PHE A 34 11.511 -9.539 -19.672 1.00 43.14 H new ATOM 0 HB2 PHE A 34 12.990 -10.695 -17.928 1.00 15.01 H new ATOM 0 HB3 PHE A 34 12.446 -12.218 -18.603 1.00 15.01 H new ATOM 0 HD1 PHE A 34 14.012 -8.995 -19.598 1.00 14.33 H new ATOM 0 HD2 PHE A 34 13.562 -13.150 -20.407 1.00 71.01 H new ATOM 0 HE1 PHE A 34 15.841 -8.813 -21.344 1.00 12.43 H new ATOM 0 HE2 PHE A 34 15.392 -13.033 -22.139 1.00 51.11 H new ATOM 0 HZ PHE A 34 16.516 -10.841 -22.605 1.00 53.13 H new ATOM 492 N HIS A 35 9.744 -12.268 -19.848 1.00 25.31 N ATOM 493 CA HIS A 35 8.887 -13.043 -20.742 1.00 62.53 C ATOM 494 C HIS A 35 7.781 -12.220 -21.365 1.00 12.20 C ATOM 495 O HIS A 35 7.484 -12.428 -22.511 1.00 34.44 O ATOM 496 CB HIS A 35 8.283 -14.245 -20.021 1.00 32.10 C ATOM 497 CG HIS A 35 8.163 -15.473 -20.895 1.00 43.24 C ATOM 498 ND1 HIS A 35 9.003 -16.556 -20.815 1.00 54.22 N ATOM 499 CD2 HIS A 35 7.305 -15.753 -21.925 1.00 10.21 C ATOM 500 CE1 HIS A 35 8.610 -17.456 -21.717 1.00 73.31 C ATOM 501 NE2 HIS A 35 7.573 -17.028 -22.407 1.00 1.51 N ATOM 0 H HIS A 35 9.653 -12.507 -18.860 1.00 25.31 H new ATOM 0 HA HIS A 35 9.535 -13.387 -21.548 1.00 62.53 H new ATOM 0 HB2 HIS A 35 8.897 -14.485 -19.153 1.00 32.10 H new ATOM 0 HB3 HIS A 35 7.295 -13.976 -19.648 1.00 32.10 H new ATOM 0 HD2 HIS A 35 6.542 -15.089 -22.302 1.00 10.21 H new ATOM 0 HE1 HIS A 35 9.083 -18.416 -21.863 1.00 73.31 H new ATOM 0 HE2 HIS A 35 7.072 -17.528 -23.141 1.00 1.51 H new ATOM 509 N ASP A 36 7.175 -11.290 -20.640 1.00 72.25 N ATOM 510 CA ASP A 36 6.084 -10.447 -21.207 1.00 12.43 C ATOM 511 C ASP A 36 6.581 -9.520 -22.286 1.00 61.23 C ATOM 512 O ASP A 36 5.932 -9.279 -23.299 1.00 61.13 O ATOM 513 CB ASP A 36 5.456 -9.670 -20.088 1.00 61.31 C ATOM 514 CG ASP A 36 4.201 -8.957 -20.517 1.00 60.51 C ATOM 515 OD1 ASP A 36 3.314 -9.645 -21.120 1.00 11.10 O ATOM 516 OD2 ASP A 36 4.035 -7.759 -20.199 1.00 44.23 O ATOM 0 H ASP A 36 7.403 -11.087 -19.667 1.00 72.25 H new ATOM 0 HA ASP A 36 5.347 -11.098 -21.677 1.00 12.43 H new ATOM 0 HB2 ASP A 36 5.223 -10.347 -19.266 1.00 61.31 H new ATOM 0 HB3 ASP A 36 6.173 -8.942 -19.708 1.00 61.31 H new ATOM 521 N LEU A 37 7.828 -9.068 -22.103 1.00 41.42 N ATOM 522 CA LEU A 37 8.475 -8.243 -23.059 1.00 12.42 C ATOM 523 C LEU A 37 8.861 -8.992 -24.342 1.00 15.12 C ATOM 524 O LEU A 37 9.313 -8.380 -25.329 1.00 14.41 O ATOM 525 CB LEU A 37 9.752 -7.633 -22.426 1.00 11.43 C ATOM 526 CG LEU A 37 9.568 -6.647 -21.267 1.00 30.33 C ATOM 527 CD1 LEU A 37 10.945 -6.385 -20.659 1.00 52.34 C ATOM 528 CD2 LEU A 37 8.929 -5.318 -21.693 1.00 45.20 C ATOM 0 H LEU A 37 8.393 -9.279 -21.280 1.00 41.42 H new ATOM 0 HA LEU A 37 7.764 -7.467 -23.342 1.00 12.42 H new ATOM 0 HB2 LEU A 37 10.377 -8.453 -22.073 1.00 11.43 H new ATOM 0 HB3 LEU A 37 10.308 -7.125 -23.214 1.00 11.43 H new ATOM 0 HG LEU A 37 8.883 -7.093 -20.547 1.00 30.33 H new ATOM 0 HD11 LEU A 37 10.849 -5.685 -19.829 1.00 52.34 H new ATOM 0 HD12 LEU A 37 11.367 -7.322 -20.296 1.00 52.34 H new ATOM 0 HD13 LEU A 37 11.603 -5.960 -21.417 1.00 52.34 H new ATOM 0 HD21 LEU A 37 8.828 -4.668 -20.824 1.00 45.20 H new ATOM 0 HD22 LEU A 37 9.560 -4.833 -22.438 1.00 45.20 H new ATOM 0 HD23 LEU A 37 7.944 -5.508 -22.120 1.00 45.20 H new ATOM 540 N GLY A 38 8.726 -10.315 -24.322 1.00 53.43 N ATOM 541 CA GLY A 38 9.101 -11.140 -25.470 1.00 10.35 C ATOM 542 C GLY A 38 10.483 -11.795 -25.418 1.00 20.01 C ATOM 543 O GLY A 38 11.063 -12.108 -26.436 1.00 24.31 O ATOM 0 H GLY A 38 8.361 -10.839 -23.527 1.00 53.43 H new ATOM 0 HA2 GLY A 38 8.355 -11.926 -25.583 1.00 10.35 H new ATOM 0 HA3 GLY A 38 9.050 -10.521 -26.366 1.00 10.35 H new ATOM 547 N GLY A 39 10.967 -11.983 -24.227 1.00 72.13 N ATOM 548 CA GLY A 39 12.246 -12.613 -24.056 1.00 3.31 C ATOM 549 C GLY A 39 12.333 -14.103 -24.404 1.00 14.43 C ATOM 550 O GLY A 39 11.348 -14.746 -24.700 1.00 23.42 O ATOM 0 H GLY A 39 10.500 -11.711 -23.362 1.00 72.13 H new ATOM 0 HA2 GLY A 39 12.973 -12.078 -24.667 1.00 3.31 H new ATOM 0 HA3 GLY A 39 12.550 -12.488 -23.017 1.00 3.31 H new ATOM 554 N SER A 40 13.549 -14.655 -24.342 1.00 40.51 N ATOM 555 CA SER A 40 13.797 -16.093 -24.616 1.00 44.22 C ATOM 556 C SER A 40 14.879 -16.529 -23.647 1.00 71.34 C ATOM 557 O SER A 40 15.605 -15.673 -23.106 1.00 73.32 O ATOM 558 CB SER A 40 14.268 -16.277 -26.075 1.00 12.13 C ATOM 559 OG SER A 40 14.800 -17.578 -26.305 1.00 15.54 O ATOM 0 H SER A 40 14.390 -14.130 -24.103 1.00 40.51 H new ATOM 0 HA SER A 40 12.894 -16.689 -24.487 1.00 44.22 H new ATOM 0 HB2 SER A 40 13.431 -16.103 -26.751 1.00 12.13 H new ATOM 0 HB3 SER A 40 15.026 -15.529 -26.308 1.00 12.13 H new ATOM 0 HG SER A 40 15.085 -17.654 -27.240 1.00 15.54 H new ATOM 565 N SER A 41 15.035 -17.808 -23.418 1.00 15.45 N ATOM 566 CA SER A 41 16.071 -18.266 -22.518 1.00 12.34 C ATOM 567 C SER A 41 17.466 -17.821 -23.048 1.00 51.44 C ATOM 568 O SER A 41 18.338 -17.493 -22.286 1.00 62.43 O ATOM 569 CB SER A 41 16.057 -19.794 -22.388 1.00 40.42 C ATOM 570 OG SER A 41 17.162 -20.195 -21.619 1.00 4.23 O ATOM 0 H SER A 41 14.467 -18.546 -23.835 1.00 15.45 H new ATOM 0 HA SER A 41 15.881 -17.826 -21.539 1.00 12.34 H new ATOM 0 HB2 SER A 41 15.131 -20.124 -21.918 1.00 40.42 H new ATOM 0 HB3 SER A 41 16.096 -20.257 -23.374 1.00 40.42 H new ATOM 0 HG SER A 41 17.161 -21.171 -21.529 1.00 4.23 H new ATOM 576 N ALA A 42 17.670 -17.803 -24.355 1.00 13.25 N ATOM 577 CA ALA A 42 18.952 -17.399 -24.944 1.00 23.34 C ATOM 578 C ALA A 42 19.291 -15.961 -24.543 1.00 2.34 C ATOM 579 O ALA A 42 20.401 -15.668 -24.146 1.00 14.02 O ATOM 580 CB ALA A 42 18.888 -17.508 -26.520 1.00 22.11 C ATOM 0 H ALA A 42 16.961 -18.065 -25.040 1.00 13.25 H new ATOM 0 HA ALA A 42 19.729 -18.066 -24.570 1.00 23.34 H new ATOM 0 HB1 ALA A 42 19.845 -17.206 -26.945 1.00 22.11 H new ATOM 0 HB2 ALA A 42 18.674 -18.538 -26.805 1.00 22.11 H new ATOM 0 HB3 ALA A 42 18.101 -16.856 -26.898 1.00 22.11 H new ATOM 586 N LEU A 43 18.296 -15.084 -24.708 1.00 22.53 N ATOM 587 CA LEU A 43 18.440 -13.652 -24.404 1.00 0.41 C ATOM 588 C LEU A 43 18.702 -13.461 -22.900 1.00 61.44 C ATOM 589 O LEU A 43 19.503 -12.625 -22.453 1.00 65.13 O ATOM 590 CB LEU A 43 17.152 -12.936 -24.849 1.00 33.31 C ATOM 591 CG LEU A 43 17.138 -12.351 -26.265 1.00 31.43 C ATOM 592 CD1 LEU A 43 17.086 -13.347 -27.420 1.00 54.21 C ATOM 593 CD2 LEU A 43 15.878 -11.411 -26.347 1.00 51.01 C ATOM 0 H LEU A 43 17.372 -15.342 -25.054 1.00 22.53 H new ATOM 0 HA LEU A 43 19.289 -13.225 -24.939 1.00 0.41 H new ATOM 0 HB2 LEU A 43 16.325 -13.642 -24.765 1.00 33.31 H new ATOM 0 HB3 LEU A 43 16.953 -12.127 -24.146 1.00 33.31 H new ATOM 0 HG LEU A 43 18.094 -11.844 -26.398 1.00 31.43 H new ATOM 0 HD11 LEU A 43 17.081 -12.807 -28.367 1.00 54.21 H new ATOM 0 HD12 LEU A 43 17.959 -13.998 -27.379 1.00 54.21 H new ATOM 0 HD13 LEU A 43 16.181 -13.949 -27.341 1.00 54.21 H new ATOM 0 HD21 LEU A 43 15.820 -10.966 -27.340 1.00 51.01 H new ATOM 0 HD22 LEU A 43 14.976 -11.994 -26.157 1.00 51.01 H new ATOM 0 HD23 LEU A 43 15.964 -10.622 -25.600 1.00 51.01 H new ATOM 605 N ALA A 44 18.021 -14.279 -22.126 1.00 50.41 N ATOM 606 CA ALA A 44 18.059 -14.227 -20.687 1.00 22.33 C ATOM 607 C ALA A 44 19.429 -14.600 -20.178 1.00 61.12 C ATOM 608 O ALA A 44 19.927 -14.047 -19.231 1.00 33.44 O ATOM 609 CB ALA A 44 16.956 -15.199 -20.131 1.00 12.50 C ATOM 0 H ALA A 44 17.414 -15.013 -22.491 1.00 50.41 H new ATOM 0 HA ALA A 44 17.857 -13.213 -20.341 1.00 22.33 H new ATOM 0 HB1 ALA A 44 16.966 -15.176 -19.041 1.00 12.50 H new ATOM 0 HB2 ALA A 44 15.977 -14.883 -20.491 1.00 12.50 H new ATOM 0 HB3 ALA A 44 17.158 -16.214 -20.474 1.00 12.50 H new ATOM 615 N MET A 45 20.037 -15.588 -20.785 1.00 74.31 N ATOM 616 CA MET A 45 21.396 -15.984 -20.382 1.00 1.04 C ATOM 617 C MET A 45 22.393 -14.889 -20.738 1.00 13.41 C ATOM 618 O MET A 45 23.358 -14.664 -20.021 1.00 43.32 O ATOM 619 CB MET A 45 21.854 -17.316 -21.094 1.00 4.42 C ATOM 620 CG MET A 45 21.109 -18.561 -20.616 1.00 55.41 C ATOM 621 SD MET A 45 21.824 -19.980 -21.377 1.00 41.02 S ATOM 622 CE MET A 45 20.835 -20.034 -22.886 1.00 24.44 C ATOM 0 H MET A 45 19.636 -16.134 -21.548 1.00 74.31 H new ATOM 0 HA MET A 45 21.372 -16.146 -19.304 1.00 1.04 H new ATOM 0 HB2 MET A 45 21.711 -17.209 -22.169 1.00 4.42 H new ATOM 0 HB3 MET A 45 22.922 -17.457 -20.927 1.00 4.42 H new ATOM 0 HG2 MET A 45 21.170 -18.644 -19.531 1.00 55.41 H new ATOM 0 HG3 MET A 45 20.052 -18.489 -20.871 1.00 55.41 H new ATOM 0 HE1 MET A 45 20.678 -21.071 -23.181 1.00 24.44 H new ATOM 0 HE2 MET A 45 19.871 -19.558 -22.706 1.00 24.44 H new ATOM 0 HE3 MET A 45 21.358 -19.505 -23.683 1.00 24.44 H new ATOM 632 N ARG A 46 22.195 -14.180 -21.873 1.00 52.33 N ATOM 633 CA ARG A 46 23.092 -13.081 -22.253 1.00 2.21 C ATOM 634 C ARG A 46 22.901 -11.903 -21.285 1.00 34.51 C ATOM 635 O ARG A 46 23.894 -11.303 -20.919 1.00 24.51 O ATOM 636 CB ARG A 46 22.823 -12.658 -23.726 1.00 60.44 C ATOM 637 CG ARG A 46 23.096 -13.736 -24.776 1.00 32.20 C ATOM 638 CD ARG A 46 24.541 -14.298 -24.714 1.00 71.52 C ATOM 639 NE ARG A 46 24.851 -15.301 -25.776 1.00 11.12 N ATOM 640 CZ ARG A 46 25.954 -16.038 -25.834 1.00 14.42 C ATOM 641 NH1 ARG A 46 26.874 -15.932 -24.892 1.00 10.25 N ATOM 642 NH2 ARG A 46 26.145 -16.861 -26.802 1.00 13.32 N ATOM 0 H ARG A 46 21.432 -14.351 -22.528 1.00 52.33 H new ATOM 0 HA ARG A 46 24.128 -13.412 -22.187 1.00 2.21 H new ATOM 0 HB2 ARG A 46 21.782 -12.345 -23.813 1.00 60.44 H new ATOM 0 HB3 ARG A 46 23.438 -11.787 -23.955 1.00 60.44 H new ATOM 0 HG2 ARG A 46 22.389 -14.554 -24.640 1.00 32.20 H new ATOM 0 HG3 ARG A 46 22.917 -13.321 -25.768 1.00 32.20 H new ATOM 0 HD2 ARG A 46 25.245 -13.470 -24.795 1.00 71.52 H new ATOM 0 HD3 ARG A 46 24.699 -14.757 -23.738 1.00 71.52 H new ATOM 0 HE ARG A 46 24.161 -15.430 -26.516 1.00 11.12 H new ATOM 0 HH11 ARG A 46 26.738 -15.283 -24.117 1.00 10.25 H new ATOM 0 HH12 ARG A 46 27.720 -16.500 -24.939 1.00 10.25 H new ATOM 0 HH21 ARG A 46 25.445 -16.954 -27.538 1.00 13.32 H new ATOM 0 HH22 ARG A 46 26.997 -17.421 -26.835 1.00 13.32 H new ATOM 656 N LEU A 47 21.680 -11.646 -20.833 1.00 42.04 N ATOM 657 CA LEU A 47 21.385 -10.616 -19.820 1.00 45.31 C ATOM 658 C LEU A 47 22.184 -10.790 -18.543 1.00 23.41 C ATOM 659 O LEU A 47 22.710 -9.831 -18.034 1.00 44.22 O ATOM 660 CB LEU A 47 19.900 -10.678 -19.526 1.00 55.12 C ATOM 661 CG LEU A 47 19.274 -9.806 -18.440 1.00 11.42 C ATOM 662 CD1 LEU A 47 19.219 -8.244 -18.734 1.00 23.21 C ATOM 663 CD2 LEU A 47 17.834 -10.372 -18.390 1.00 44.35 C ATOM 0 H LEU A 47 20.852 -12.146 -21.157 1.00 42.04 H new ATOM 0 HA LEU A 47 21.673 -9.643 -20.218 1.00 45.31 H new ATOM 0 HB2 LEU A 47 19.381 -10.450 -20.457 1.00 55.12 H new ATOM 0 HB3 LEU A 47 19.667 -11.713 -19.277 1.00 55.12 H new ATOM 0 HG LEU A 47 19.863 -9.854 -17.524 1.00 11.42 H new ATOM 0 HD11 LEU A 47 18.754 -7.731 -17.892 1.00 23.21 H new ATOM 0 HD12 LEU A 47 20.231 -7.865 -18.876 1.00 23.21 H new ATOM 0 HD13 LEU A 47 18.634 -8.064 -19.636 1.00 23.21 H new ATOM 0 HD21 LEU A 47 17.257 -9.832 -17.640 1.00 44.35 H new ATOM 0 HD22 LEU A 47 17.362 -10.253 -19.366 1.00 44.35 H new ATOM 0 HD23 LEU A 47 17.868 -11.430 -18.130 1.00 44.35 H new ATOM 675 N ILE A 48 22.362 -12.061 -18.109 1.00 3.41 N ATOM 676 CA ILE A 48 23.154 -12.345 -16.891 1.00 25.34 C ATOM 677 C ILE A 48 24.588 -11.824 -17.137 1.00 13.34 C ATOM 678 O ILE A 48 25.187 -11.120 -16.356 1.00 34.03 O ATOM 679 CB ILE A 48 23.290 -13.881 -16.582 1.00 51.52 C ATOM 680 CG1 ILE A 48 21.917 -14.553 -16.381 1.00 2.13 C ATOM 681 CG2 ILE A 48 24.208 -14.102 -15.311 1.00 64.12 C ATOM 682 CD1 ILE A 48 21.963 -16.076 -16.323 1.00 3.41 C ATOM 0 H ILE A 48 21.979 -12.886 -18.571 1.00 3.41 H new ATOM 0 HA ILE A 48 22.643 -11.868 -16.054 1.00 25.34 H new ATOM 0 HB ILE A 48 23.757 -14.352 -17.447 1.00 51.52 H new ATOM 0 HG12 ILE A 48 21.475 -14.180 -15.457 1.00 2.13 H new ATOM 0 HG13 ILE A 48 21.257 -14.252 -17.194 1.00 2.13 H new ATOM 0 HG21 ILE A 48 24.295 -15.169 -15.106 1.00 64.12 H new ATOM 0 HG22 ILE A 48 25.198 -13.687 -15.500 1.00 64.12 H new ATOM 0 HG23 ILE A 48 23.764 -13.602 -14.450 1.00 64.12 H new ATOM 0 HD11 ILE A 48 20.955 -16.465 -16.180 1.00 3.41 H new ATOM 0 HD12 ILE A 48 22.372 -16.463 -17.256 1.00 3.41 H new ATOM 0 HD13 ILE A 48 22.595 -16.390 -15.492 1.00 3.41 H new ATOM 694 N ALA A 49 25.102 -12.161 -18.316 1.00 70.44 N ATOM 695 CA ALA A 49 26.441 -11.779 -18.706 1.00 44.32 C ATOM 696 C ALA A 49 26.634 -10.239 -18.758 1.00 33.10 C ATOM 697 O ALA A 49 27.649 -9.714 -18.299 1.00 42.11 O ATOM 698 CB ALA A 49 26.828 -12.444 -20.071 1.00 4.01 C ATOM 0 H ALA A 49 24.600 -12.703 -19.019 1.00 70.44 H new ATOM 0 HA ALA A 49 27.116 -12.148 -17.934 1.00 44.32 H new ATOM 0 HB1 ALA A 49 27.839 -12.145 -20.348 1.00 4.01 H new ATOM 0 HB2 ALA A 49 26.785 -13.529 -19.972 1.00 4.01 H new ATOM 0 HB3 ALA A 49 26.130 -12.122 -20.844 1.00 4.01 H new ATOM 704 N ARG A 50 25.637 -9.506 -19.286 1.00 13.30 N ATOM 705 CA ARG A 50 25.727 -8.040 -19.367 1.00 74.01 C ATOM 706 C ARG A 50 25.642 -7.403 -17.993 1.00 23.23 C ATOM 707 O ARG A 50 26.362 -6.452 -17.733 1.00 73.02 O ATOM 708 CB ARG A 50 24.690 -7.468 -20.298 1.00 64.54 C ATOM 709 CG ARG A 50 24.668 -8.095 -21.700 1.00 55.15 C ATOM 710 CD ARG A 50 25.691 -7.496 -22.627 1.00 55.04 C ATOM 711 NE ARG A 50 27.019 -8.090 -22.403 1.00 4.12 N ATOM 712 CZ ARG A 50 27.431 -9.261 -22.879 1.00 45.21 C ATOM 713 NH1 ARG A 50 26.691 -10.005 -23.656 1.00 74.51 N ATOM 714 NH2 ARG A 50 28.646 -9.661 -22.543 1.00 43.23 N ATOM 0 H ARG A 50 24.772 -9.899 -19.658 1.00 13.30 H new ATOM 0 HA ARG A 50 26.705 -7.801 -19.783 1.00 74.01 H new ATOM 0 HB2 ARG A 50 23.707 -7.592 -19.844 1.00 64.54 H new ATOM 0 HB3 ARG A 50 24.862 -6.396 -20.397 1.00 64.54 H new ATOM 0 HG2 ARG A 50 24.846 -9.167 -21.616 1.00 55.15 H new ATOM 0 HG3 ARG A 50 23.676 -7.969 -22.133 1.00 55.15 H new ATOM 0 HD2 ARG A 50 25.387 -7.656 -23.662 1.00 55.04 H new ATOM 0 HD3 ARG A 50 25.740 -6.418 -22.472 1.00 55.04 H new ATOM 0 HE ARG A 50 27.679 -7.559 -21.835 1.00 4.12 H new ATOM 0 HH11 ARG A 50 25.756 -9.694 -23.921 1.00 74.51 H new ATOM 0 HH12 ARG A 50 27.048 -10.897 -23.998 1.00 74.51 H new ATOM 0 HH21 ARG A 50 29.227 -9.077 -21.941 1.00 43.23 H new ATOM 0 HH22 ARG A 50 29.002 -10.553 -22.886 1.00 43.23 H new ATOM 728 N ILE A 51 24.836 -7.982 -17.105 1.00 5.14 N ATOM 729 CA ILE A 51 24.733 -7.448 -15.730 1.00 43.10 C ATOM 730 C ILE A 51 26.102 -7.651 -15.031 1.00 14.22 C ATOM 731 O ILE A 51 26.524 -6.814 -14.259 1.00 64.30 O ATOM 732 CB ILE A 51 23.611 -8.126 -14.898 1.00 42.43 C ATOM 733 CG1 ILE A 51 22.217 -7.828 -15.473 1.00 63.22 C ATOM 734 CG2 ILE A 51 23.596 -7.620 -13.403 1.00 1.25 C ATOM 735 CD1 ILE A 51 21.117 -8.844 -15.092 1.00 42.21 C ATOM 0 H ILE A 51 24.256 -8.799 -17.295 1.00 5.14 H new ATOM 0 HA ILE A 51 24.471 -6.392 -15.795 1.00 43.10 H new ATOM 0 HB ILE A 51 23.828 -9.193 -14.940 1.00 42.43 H new ATOM 0 HG12 ILE A 51 21.907 -6.838 -15.137 1.00 63.22 H new ATOM 0 HG13 ILE A 51 22.291 -7.787 -16.560 1.00 63.22 H new ATOM 0 HG21 ILE A 51 22.796 -8.120 -12.858 1.00 1.25 H new ATOM 0 HG22 ILE A 51 24.553 -7.847 -12.932 1.00 1.25 H new ATOM 0 HG23 ILE A 51 23.429 -6.543 -13.385 1.00 1.25 H new ATOM 0 HD11 ILE A 51 20.172 -8.545 -15.546 1.00 42.21 H new ATOM 0 HD12 ILE A 51 21.396 -9.834 -15.452 1.00 42.21 H new ATOM 0 HD13 ILE A 51 21.006 -8.870 -14.008 1.00 42.21 H new ATOM 747 N ARG A 52 26.776 -8.770 -15.299 1.00 71.12 N ATOM 748 CA ARG A 52 28.071 -9.072 -14.651 1.00 25.30 C ATOM 749 C ARG A 52 29.110 -8.029 -15.049 1.00 2.13 C ATOM 750 O ARG A 52 29.949 -7.677 -14.224 1.00 1.02 O ATOM 751 CB ARG A 52 28.571 -10.485 -15.058 1.00 23.43 C ATOM 752 CG ARG A 52 29.364 -11.295 -13.999 1.00 33.30 C ATOM 753 CD ARG A 52 30.782 -10.803 -13.705 1.00 54.42 C ATOM 754 NE ARG A 52 31.508 -11.633 -12.717 1.00 74.13 N ATOM 755 CZ ARG A 52 32.581 -11.247 -12.026 1.00 42.24 C ATOM 756 NH1 ARG A 52 33.076 -10.074 -12.208 1.00 53.14 N ATOM 757 NH2 ARG A 52 33.180 -12.085 -11.196 1.00 30.41 N ATOM 0 H ARG A 52 26.457 -9.483 -15.954 1.00 71.12 H new ATOM 0 HA ARG A 52 27.927 -9.048 -13.571 1.00 25.30 H new ATOM 0 HB2 ARG A 52 27.705 -11.076 -15.355 1.00 23.43 H new ATOM 0 HB3 ARG A 52 29.201 -10.378 -15.941 1.00 23.43 H new ATOM 0 HG2 ARG A 52 28.798 -11.290 -13.067 1.00 33.30 H new ATOM 0 HG3 ARG A 52 29.422 -12.332 -14.331 1.00 33.30 H new ATOM 0 HD2 ARG A 52 31.350 -10.782 -14.635 1.00 54.42 H new ATOM 0 HD3 ARG A 52 30.732 -9.778 -13.338 1.00 54.42 H new ATOM 0 HE ARG A 52 31.159 -12.577 -12.551 1.00 74.13 H new ATOM 0 HH11 ARG A 52 32.648 -9.439 -12.881 1.00 53.14 H new ATOM 0 HH12 ARG A 52 33.897 -9.779 -11.679 1.00 53.14 H new ATOM 0 HH21 ARG A 52 32.821 -13.033 -11.082 1.00 30.41 H new ATOM 0 HH22 ARG A 52 34.000 -11.783 -10.671 1.00 30.41 H new ATOM 771 N GLU A 53 29.067 -7.609 -16.296 1.00 11.31 N ATOM 772 CA GLU A 53 30.042 -6.648 -16.818 1.00 60.23 C ATOM 773 C GLU A 53 29.834 -5.277 -16.172 1.00 4.21 C ATOM 774 O GLU A 53 30.811 -4.632 -15.777 1.00 51.02 O ATOM 775 CB GLU A 53 29.922 -6.540 -18.350 1.00 13.40 C ATOM 776 CG GLU A 53 30.524 -7.702 -19.146 1.00 41.21 C ATOM 777 CD GLU A 53 30.504 -7.379 -20.650 1.00 23.12 C ATOM 778 OE1 GLU A 53 29.361 -7.215 -21.186 1.00 33.30 O ATOM 779 OE2 GLU A 53 31.558 -7.451 -21.318 1.00 43.21 O ATOM 0 H GLU A 53 28.370 -7.913 -16.976 1.00 11.31 H new ATOM 0 HA GLU A 53 31.043 -7.001 -16.572 1.00 60.23 H new ATOM 0 HB2 GLU A 53 28.867 -6.455 -18.608 1.00 13.40 H new ATOM 0 HB3 GLU A 53 30.404 -5.616 -18.670 1.00 13.40 H new ATOM 0 HG2 GLU A 53 31.548 -7.885 -18.819 1.00 41.21 H new ATOM 0 HG3 GLU A 53 29.960 -8.615 -18.955 1.00 41.21 H new ATOM 786 N GLU A 54 28.578 -4.857 -16.045 1.00 61.35 N ATOM 787 CA GLU A 54 28.245 -3.538 -15.426 1.00 44.34 C ATOM 788 C GLU A 54 28.197 -3.484 -13.895 1.00 31.13 C ATOM 789 O GLU A 54 28.539 -2.491 -13.255 1.00 13.22 O ATOM 790 CB GLU A 54 26.887 -3.131 -15.981 1.00 32.44 C ATOM 791 CG GLU A 54 26.894 -2.904 -17.455 1.00 24.31 C ATOM 792 CD GLU A 54 27.848 -1.790 -17.824 1.00 44.25 C ATOM 793 OE1 GLU A 54 27.625 -0.677 -17.308 1.00 12.51 O ATOM 794 OE2 GLU A 54 28.851 -2.037 -18.555 1.00 10.13 O ATOM 0 H GLU A 54 27.767 -5.392 -16.354 1.00 61.35 H new ATOM 0 HA GLU A 54 29.061 -2.862 -15.682 1.00 44.34 H new ATOM 0 HB2 GLU A 54 26.158 -3.906 -15.744 1.00 32.44 H new ATOM 0 HB3 GLU A 54 26.557 -2.220 -15.482 1.00 32.44 H new ATOM 0 HG2 GLU A 54 27.184 -3.821 -17.967 1.00 24.31 H new ATOM 0 HG3 GLU A 54 25.888 -2.654 -17.794 1.00 24.31 H new ATOM 801 N LEU A 55 27.692 -4.531 -13.242 1.00 75.41 N ATOM 802 CA LEU A 55 27.474 -4.484 -11.766 1.00 73.03 C ATOM 803 C LEU A 55 28.367 -5.448 -10.950 1.00 63.24 C ATOM 804 O LEU A 55 28.439 -5.332 -9.733 1.00 63.33 O ATOM 805 CB LEU A 55 25.999 -4.812 -11.481 1.00 45.30 C ATOM 806 CG LEU A 55 25.026 -3.612 -11.438 1.00 74.12 C ATOM 807 CD1 LEU A 55 25.367 -2.644 -10.320 1.00 41.22 C ATOM 808 CD2 LEU A 55 24.920 -2.814 -12.745 1.00 22.53 C ATOM 0 H LEU A 55 27.426 -5.411 -13.685 1.00 75.41 H new ATOM 0 HA LEU A 55 27.747 -3.478 -11.446 1.00 73.03 H new ATOM 0 HB2 LEU A 55 25.650 -5.508 -12.244 1.00 45.30 H new ATOM 0 HB3 LEU A 55 25.943 -5.332 -10.525 1.00 45.30 H new ATOM 0 HG LEU A 55 24.058 -4.082 -11.262 1.00 74.12 H new ATOM 0 HD11 LEU A 55 24.658 -1.816 -10.327 1.00 41.22 H new ATOM 0 HD12 LEU A 55 25.312 -3.161 -9.362 1.00 41.22 H new ATOM 0 HD13 LEU A 55 26.376 -2.259 -10.467 1.00 41.22 H new ATOM 0 HD21 LEU A 55 24.214 -1.994 -12.614 1.00 22.53 H new ATOM 0 HD22 LEU A 55 25.899 -2.412 -13.006 1.00 22.53 H new ATOM 0 HD23 LEU A 55 24.572 -3.469 -13.544 1.00 22.53 H new ATOM 820 N GLY A 56 29.013 -6.438 -11.602 1.00 35.24 N ATOM 821 CA GLY A 56 29.877 -7.381 -10.919 1.00 74.03 C ATOM 822 C GLY A 56 29.252 -8.510 -10.139 1.00 42.22 C ATOM 823 O GLY A 56 29.877 -9.117 -9.275 1.00 44.33 O ATOM 0 H GLY A 56 28.941 -6.592 -12.608 1.00 35.24 H new ATOM 0 HA2 GLY A 56 30.538 -7.822 -11.665 1.00 74.03 H new ATOM 0 HA3 GLY A 56 30.505 -6.814 -10.232 1.00 74.03 H new ATOM 827 N VAL A 57 28.012 -8.839 -10.415 1.00 21.51 N ATOM 828 CA VAL A 57 27.290 -9.948 -9.696 1.00 51.35 C ATOM 829 C VAL A 57 26.951 -11.077 -10.611 1.00 55.40 C ATOM 830 O VAL A 57 26.695 -10.850 -11.803 1.00 53.43 O ATOM 831 CB VAL A 57 26.008 -9.368 -8.977 1.00 50.12 C ATOM 832 CG1 VAL A 57 24.974 -8.876 -9.960 1.00 55.10 C ATOM 833 CG2 VAL A 57 25.359 -10.422 -8.047 1.00 33.53 C ATOM 0 H VAL A 57 27.451 -8.373 -11.129 1.00 21.51 H new ATOM 0 HA VAL A 57 27.956 -10.361 -8.939 1.00 51.35 H new ATOM 0 HB VAL A 57 26.352 -8.521 -8.384 1.00 50.12 H new ATOM 0 HG11 VAL A 57 24.112 -8.487 -9.418 1.00 55.10 H new ATOM 0 HG12 VAL A 57 25.403 -8.085 -10.574 1.00 55.10 H new ATOM 0 HG13 VAL A 57 24.658 -9.701 -10.599 1.00 55.10 H new ATOM 0 HG21 VAL A 57 24.480 -9.992 -7.567 1.00 33.53 H new ATOM 0 HG22 VAL A 57 25.063 -11.292 -8.633 1.00 33.53 H new ATOM 0 HG23 VAL A 57 26.076 -10.725 -7.284 1.00 33.53 H new ATOM 843 N ASP A 58 26.982 -12.291 -10.090 1.00 10.44 N ATOM 844 CA ASP A 58 26.644 -13.489 -10.923 1.00 11.42 C ATOM 845 C ASP A 58 25.317 -13.993 -10.445 1.00 70.02 C ATOM 846 O ASP A 58 25.067 -14.062 -9.227 1.00 54.21 O ATOM 847 CB ASP A 58 27.697 -14.562 -10.751 1.00 2.41 C ATOM 848 CG ASP A 58 27.416 -15.785 -11.586 1.00 14.45 C ATOM 849 OD1 ASP A 58 26.976 -15.610 -12.769 1.00 62.12 O ATOM 850 OD2 ASP A 58 27.582 -16.909 -11.070 1.00 62.30 O ATOM 0 H ASP A 58 27.228 -12.497 -9.122 1.00 10.44 H new ATOM 0 HA ASP A 58 26.606 -13.226 -11.980 1.00 11.42 H new ATOM 0 HB2 ASP A 58 28.672 -14.157 -11.022 1.00 2.41 H new ATOM 0 HB3 ASP A 58 27.752 -14.848 -9.701 1.00 2.41 H new ATOM 855 N LEU A 59 24.409 -14.261 -11.361 1.00 63.11 N ATOM 856 CA LEU A 59 23.022 -14.571 -11.033 1.00 50.33 C ATOM 857 C LEU A 59 22.641 -15.858 -11.700 1.00 71.42 C ATOM 858 O LEU A 59 22.803 -15.997 -12.911 1.00 75.35 O ATOM 859 CB LEU A 59 22.113 -13.502 -11.612 1.00 71.41 C ATOM 860 CG LEU A 59 20.661 -13.679 -11.164 1.00 51.31 C ATOM 861 CD1 LEU A 59 20.536 -13.213 -9.685 1.00 70.12 C ATOM 862 CD2 LEU A 59 19.719 -12.841 -12.040 1.00 3.33 C ATOM 0 H LEU A 59 24.608 -14.271 -12.361 1.00 63.11 H new ATOM 0 HA LEU A 59 22.921 -14.631 -9.949 1.00 50.33 H new ATOM 0 HB2 LEU A 59 22.469 -12.519 -11.306 1.00 71.41 H new ATOM 0 HB3 LEU A 59 22.163 -13.534 -12.700 1.00 71.41 H new ATOM 0 HG LEU A 59 20.382 -14.728 -11.259 1.00 51.31 H new ATOM 0 HD11 LEU A 59 19.505 -13.333 -9.351 1.00 70.12 H new ATOM 0 HD12 LEU A 59 21.193 -13.815 -9.057 1.00 70.12 H new ATOM 0 HD13 LEU A 59 20.822 -12.164 -9.609 1.00 70.12 H new ATOM 0 HD21 LEU A 59 18.691 -12.980 -11.706 1.00 3.33 H new ATOM 0 HD22 LEU A 59 19.987 -11.788 -11.959 1.00 3.33 H new ATOM 0 HD23 LEU A 59 19.809 -13.159 -13.079 1.00 3.33 H new ATOM 874 N PRO A 60 22.122 -16.825 -10.974 1.00 20.31 N ATOM 875 CA PRO A 60 21.829 -18.054 -11.760 1.00 10.41 C ATOM 876 C PRO A 60 20.590 -17.879 -12.632 1.00 74.33 C ATOM 877 O PRO A 60 19.670 -17.119 -12.361 1.00 4.44 O ATOM 878 CB PRO A 60 21.592 -19.091 -10.671 1.00 53.33 C ATOM 879 CG PRO A 60 20.982 -18.306 -9.559 1.00 13.42 C ATOM 880 CD PRO A 60 21.726 -16.972 -9.548 1.00 32.33 C ATOM 0 HA PRO A 60 22.626 -18.322 -12.454 1.00 10.41 H new ATOM 0 HB2 PRO A 60 20.927 -19.885 -11.012 1.00 53.33 H new ATOM 0 HB3 PRO A 60 22.523 -19.566 -10.362 1.00 53.33 H new ATOM 0 HG2 PRO A 60 19.914 -18.159 -9.722 1.00 13.42 H new ATOM 0 HG3 PRO A 60 21.091 -18.824 -8.606 1.00 13.42 H new ATOM 0 HD2 PRO A 60 21.089 -16.153 -9.215 1.00 32.33 H new ATOM 0 HD3 PRO A 60 22.591 -16.993 -8.885 1.00 32.33 H new ATOM 888 N ILE A 61 20.522 -18.623 -13.744 1.00 74.54 N ATOM 889 CA ILE A 61 19.353 -18.459 -14.650 1.00 21.24 C ATOM 890 C ILE A 61 18.084 -18.918 -13.943 1.00 34.33 C ATOM 891 O ILE A 61 16.992 -18.408 -14.193 1.00 34.01 O ATOM 892 CB ILE A 61 19.571 -19.229 -16.033 1.00 54.42 C ATOM 893 CG1 ILE A 61 18.383 -18.970 -17.005 1.00 61.31 C ATOM 894 CG2 ILE A 61 19.729 -20.773 -15.812 1.00 53.11 C ATOM 895 CD1 ILE A 61 18.337 -17.622 -17.641 1.00 71.24 C ATOM 0 H ILE A 61 21.216 -19.311 -14.037 1.00 74.54 H new ATOM 0 HA ILE A 61 19.248 -17.402 -14.895 1.00 21.24 H new ATOM 0 HB ILE A 61 20.490 -18.842 -16.473 1.00 54.42 H new ATOM 0 HG12 ILE A 61 18.416 -19.721 -17.795 1.00 61.31 H new ATOM 0 HG13 ILE A 61 17.453 -19.123 -16.458 1.00 61.31 H new ATOM 0 HG21 ILE A 61 19.876 -21.265 -16.774 1.00 53.11 H new ATOM 0 HG22 ILE A 61 20.591 -20.963 -15.172 1.00 53.11 H new ATOM 0 HG23 ILE A 61 18.831 -21.166 -15.336 1.00 53.11 H new ATOM 0 HD11 ILE A 61 17.468 -17.558 -18.296 1.00 71.24 H new ATOM 0 HD12 ILE A 61 18.266 -16.857 -16.868 1.00 71.24 H new ATOM 0 HD13 ILE A 61 19.244 -17.464 -18.225 1.00 71.24 H new ATOM 907 N ARG A 62 18.224 -19.843 -12.999 1.00 44.11 N ATOM 908 CA ARG A 62 17.051 -20.294 -12.223 1.00 75.44 C ATOM 909 C ARG A 62 16.424 -19.178 -11.455 1.00 74.03 C ATOM 910 O ARG A 62 15.250 -19.065 -11.432 1.00 32.11 O ATOM 911 CB ARG A 62 17.453 -21.395 -11.265 1.00 23.03 C ATOM 912 CG ARG A 62 17.749 -22.778 -11.960 1.00 13.41 C ATOM 913 CD ARG A 62 16.516 -23.266 -12.716 1.00 14.12 C ATOM 914 NE ARG A 62 15.304 -23.226 -11.884 1.00 11.22 N ATOM 915 CZ ARG A 62 14.077 -22.972 -12.311 1.00 73.14 C ATOM 916 NH1 ARG A 62 13.805 -22.752 -13.580 1.00 14.41 N ATOM 917 NH2 ARG A 62 13.106 -22.929 -11.451 1.00 24.34 N ATOM 0 H ARG A 62 19.106 -20.290 -12.750 1.00 44.11 H new ATOM 0 HA ARG A 62 16.317 -20.668 -12.937 1.00 75.44 H new ATOM 0 HB2 ARG A 62 18.341 -21.079 -10.717 1.00 23.03 H new ATOM 0 HB3 ARG A 62 16.658 -21.532 -10.532 1.00 23.03 H new ATOM 0 HG2 ARG A 62 18.588 -22.675 -12.648 1.00 13.41 H new ATOM 0 HG3 ARG A 62 18.040 -23.514 -11.211 1.00 13.41 H new ATOM 0 HD2 ARG A 62 16.367 -22.649 -13.602 1.00 14.12 H new ATOM 0 HD3 ARG A 62 16.684 -24.286 -13.062 1.00 14.12 H new ATOM 0 HE ARG A 62 15.419 -23.411 -10.888 1.00 11.22 H new ATOM 0 HH11 ARG A 62 14.553 -22.774 -14.273 1.00 14.41 H new ATOM 0 HH12 ARG A 62 12.846 -22.560 -13.870 1.00 14.41 H new ATOM 0 HH21 ARG A 62 13.294 -23.090 -10.461 1.00 24.34 H new ATOM 0 HH22 ARG A 62 12.155 -22.734 -11.765 1.00 24.34 H new ATOM 931 N GLN A 63 17.225 -18.303 -10.893 1.00 0.14 N ATOM 932 CA GLN A 63 16.672 -17.194 -10.148 1.00 13.20 C ATOM 933 C GLN A 63 15.939 -16.239 -11.034 1.00 70.24 C ATOM 934 O GLN A 63 14.873 -15.800 -10.711 1.00 23.32 O ATOM 935 CB GLN A 63 17.757 -16.451 -9.352 1.00 74.12 C ATOM 936 CG GLN A 63 17.180 -15.422 -8.314 1.00 72.05 C ATOM 937 CD GLN A 63 16.357 -16.051 -7.226 1.00 13.44 C ATOM 938 OE1 GLN A 63 15.142 -15.885 -7.156 1.00 31.43 O ATOM 939 NE2 GLN A 63 17.024 -16.817 -6.378 1.00 61.32 N ATOM 0 H GLN A 63 18.244 -18.334 -10.935 1.00 0.14 H new ATOM 0 HA GLN A 63 15.957 -17.619 -9.443 1.00 13.20 H new ATOM 0 HB2 GLN A 63 18.373 -17.180 -8.825 1.00 74.12 H new ATOM 0 HB3 GLN A 63 18.411 -15.925 -10.048 1.00 74.12 H new ATOM 0 HG2 GLN A 63 18.007 -14.876 -7.861 1.00 72.05 H new ATOM 0 HG3 GLN A 63 16.568 -14.692 -8.843 1.00 72.05 H new ATOM 0 HE21 GLN A 63 18.034 -16.926 -6.475 1.00 61.32 H new ATOM 0 HE22 GLN A 63 16.529 -17.299 -5.628 1.00 61.32 H new ATOM 948 N LEU A 64 16.416 -16.075 -12.259 1.00 51.43 N ATOM 949 CA LEU A 64 15.743 -15.228 -13.197 1.00 20.01 C ATOM 950 C LEU A 64 14.395 -15.783 -13.640 1.00 34.44 C ATOM 951 O LEU A 64 13.476 -15.001 -13.861 1.00 70.24 O ATOM 952 CB LEU A 64 16.668 -15.005 -14.409 1.00 73.22 C ATOM 953 CG LEU A 64 16.981 -13.564 -14.906 1.00 25.31 C ATOM 954 CD1 LEU A 64 17.978 -13.663 -15.996 1.00 32.03 C ATOM 955 CD2 LEU A 64 15.699 -12.831 -15.432 1.00 22.45 C ATOM 0 H LEU A 64 17.263 -16.520 -12.613 1.00 51.43 H new ATOM 0 HA LEU A 64 15.526 -14.280 -12.704 1.00 20.01 H new ATOM 0 HB2 LEU A 64 17.621 -15.481 -14.179 1.00 73.22 H new ATOM 0 HB3 LEU A 64 16.235 -15.549 -15.249 1.00 73.22 H new ATOM 0 HG LEU A 64 17.365 -12.980 -14.070 1.00 25.31 H new ATOM 0 HD11 LEU A 64 18.216 -12.665 -16.363 1.00 32.03 H new ATOM 0 HD12 LEU A 64 18.884 -14.136 -15.618 1.00 32.03 H new ATOM 0 HD13 LEU A 64 17.569 -14.261 -16.810 1.00 32.03 H new ATOM 0 HD21 LEU A 64 15.965 -11.829 -15.768 1.00 22.45 H new ATOM 0 HD22 LEU A 64 15.275 -13.392 -16.264 1.00 22.45 H new ATOM 0 HD23 LEU A 64 14.965 -12.761 -14.629 1.00 22.45 H new ATOM 967 N PHE A 65 14.287 -17.114 -13.684 1.00 60.32 N ATOM 968 CA PHE A 65 13.042 -17.739 -14.114 1.00 24.34 C ATOM 969 C PHE A 65 11.995 -17.671 -12.989 1.00 54.11 C ATOM 970 O PHE A 65 10.786 -17.790 -13.197 1.00 52.33 O ATOM 971 CB PHE A 65 13.209 -19.201 -14.517 1.00 41.42 C ATOM 972 CG PHE A 65 13.318 -19.420 -16.004 1.00 12.45 C ATOM 973 CD1 PHE A 65 12.174 -19.537 -16.805 1.00 51.15 C ATOM 974 CD2 PHE A 65 14.585 -19.527 -16.610 1.00 53.10 C ATOM 975 CE1 PHE A 65 12.308 -19.742 -18.230 1.00 20.41 C ATOM 976 CE2 PHE A 65 14.709 -19.735 -18.016 1.00 15.43 C ATOM 977 CZ PHE A 65 13.583 -19.852 -18.800 1.00 41.14 C ATOM 0 H PHE A 65 15.031 -17.764 -13.432 1.00 60.32 H new ATOM 0 HA PHE A 65 12.716 -17.180 -14.991 1.00 24.34 H new ATOM 0 HB2 PHE A 65 14.102 -19.600 -14.035 1.00 41.42 H new ATOM 0 HB3 PHE A 65 12.361 -19.771 -14.138 1.00 41.42 H new ATOM 0 HD1 PHE A 65 11.193 -19.474 -16.358 1.00 51.15 H new ATOM 0 HD2 PHE A 65 15.474 -19.451 -16.002 1.00 53.10 H new ATOM 0 HE1 PHE A 65 11.428 -19.810 -18.853 1.00 20.41 H new ATOM 0 HE2 PHE A 65 15.688 -19.801 -18.467 1.00 15.43 H new ATOM 0 HZ PHE A 65 13.683 -20.030 -19.861 1.00 41.14 H new ATOM 987 N SER A 66 12.506 -17.488 -11.778 1.00 24.54 N ATOM 988 CA SER A 66 11.662 -17.403 -10.573 1.00 15.12 C ATOM 989 C SER A 66 11.322 -15.965 -10.263 1.00 42.31 C ATOM 990 O SER A 66 10.525 -15.667 -9.405 1.00 31.12 O ATOM 991 CB SER A 66 12.355 -17.968 -9.355 1.00 63.33 C ATOM 992 OG SER A 66 12.896 -19.237 -9.641 1.00 71.01 O ATOM 0 H SER A 66 13.505 -17.394 -11.595 1.00 24.54 H new ATOM 0 HA SER A 66 10.765 -17.983 -10.789 1.00 15.12 H new ATOM 0 HB2 SER A 66 13.147 -17.292 -9.034 1.00 63.33 H new ATOM 0 HB3 SER A 66 11.647 -18.045 -8.529 1.00 63.33 H new ATOM 0 HG SER A 66 13.669 -19.137 -10.235 1.00 71.01 H new ATOM 998 N SER A 67 12.085 -15.034 -10.875 1.00 71.12 N ATOM 999 CA SER A 67 11.973 -13.597 -10.608 1.00 3.45 C ATOM 1000 C SER A 67 12.231 -12.836 -11.894 1.00 21.11 C ATOM 1001 O SER A 67 13.249 -12.193 -12.056 1.00 41.40 O ATOM 1002 CB SER A 67 13.003 -13.175 -9.564 1.00 54.51 C ATOM 1003 OG SER A 67 12.934 -11.784 -9.323 1.00 44.42 O ATOM 0 H SER A 67 12.796 -15.266 -11.569 1.00 71.12 H new ATOM 0 HA SER A 67 10.973 -13.378 -10.233 1.00 3.45 H new ATOM 0 HB2 SER A 67 12.829 -13.718 -8.635 1.00 54.51 H new ATOM 0 HB3 SER A 67 14.003 -13.440 -9.906 1.00 54.51 H new ATOM 0 HG SER A 67 13.043 -11.612 -8.364 1.00 44.42 H new ATOM 1009 N PRO A 68 11.293 -12.939 -12.878 1.00 45.41 N ATOM 1010 CA PRO A 68 11.593 -12.327 -14.181 1.00 3.52 C ATOM 1011 C PRO A 68 11.532 -10.781 -14.281 1.00 23.44 C ATOM 1012 O PRO A 68 11.851 -10.292 -15.386 1.00 10.42 O ATOM 1013 CB PRO A 68 10.514 -12.946 -15.053 1.00 53.31 C ATOM 1014 CG PRO A 68 9.391 -13.150 -14.134 1.00 14.25 C ATOM 1015 CD PRO A 68 10.046 -13.683 -12.905 1.00 24.32 C ATOM 0 HA PRO A 68 12.632 -12.516 -14.451 1.00 3.52 H new ATOM 0 HB2 PRO A 68 10.241 -12.288 -15.878 1.00 53.31 H new ATOM 0 HB3 PRO A 68 10.846 -13.886 -15.492 1.00 53.31 H new ATOM 0 HG2 PRO A 68 8.860 -12.219 -13.935 1.00 14.25 H new ATOM 0 HG3 PRO A 68 8.663 -13.853 -14.539 1.00 14.25 H new ATOM 0 HD2 PRO A 68 9.445 -13.505 -12.013 1.00 24.32 H new ATOM 0 HD3 PRO A 68 10.214 -14.758 -12.966 1.00 24.32 H new ATOM 1023 N THR A 69 11.054 -10.050 -13.279 1.00 34.54 N ATOM 1024 CA THR A 69 10.882 -8.586 -13.425 1.00 25.43 C ATOM 1025 C THR A 69 12.138 -7.795 -12.970 1.00 1.42 C ATOM 1026 O THR A 69 12.867 -8.257 -12.076 1.00 72.41 O ATOM 1027 CB THR A 69 9.734 -8.065 -12.533 1.00 34.51 C ATOM 1028 OG1 THR A 69 9.970 -8.445 -11.193 1.00 10.52 O ATOM 1029 CG2 THR A 69 8.382 -8.638 -12.983 1.00 22.05 C ATOM 0 H THR A 69 10.780 -10.425 -12.371 1.00 34.54 H new ATOM 0 HA THR A 69 10.683 -8.431 -14.485 1.00 25.43 H new ATOM 0 HB THR A 69 9.701 -6.979 -12.619 1.00 34.51 H new ATOM 0 HG1 THR A 69 9.243 -8.113 -10.626 1.00 10.52 H new ATOM 0 HG21 THR A 69 7.592 -8.255 -12.338 1.00 22.05 H new ATOM 0 HG22 THR A 69 8.186 -8.341 -14.013 1.00 22.05 H new ATOM 0 HG23 THR A 69 8.408 -9.726 -12.918 1.00 22.05 H new ATOM 1037 N PRO A 70 12.415 -6.576 -13.533 1.00 64.03 N ATOM 1038 CA PRO A 70 13.549 -5.849 -12.935 1.00 72.40 C ATOM 1039 C PRO A 70 13.485 -5.665 -11.401 1.00 15.33 C ATOM 1040 O PRO A 70 14.528 -5.667 -10.757 1.00 35.13 O ATOM 1041 CB PRO A 70 13.452 -4.469 -13.591 1.00 42.12 C ATOM 1042 CG PRO A 70 12.791 -4.733 -14.891 1.00 21.44 C ATOM 1043 CD PRO A 70 11.820 -5.820 -14.631 1.00 22.02 C ATOM 0 HA PRO A 70 14.472 -6.405 -13.102 1.00 72.40 H new ATOM 0 HB2 PRO A 70 12.870 -3.778 -12.981 1.00 42.12 H new ATOM 0 HB3 PRO A 70 14.437 -4.022 -13.728 1.00 42.12 H new ATOM 0 HG2 PRO A 70 12.289 -3.840 -15.264 1.00 21.44 H new ATOM 0 HG3 PRO A 70 13.518 -5.029 -15.647 1.00 21.44 H new ATOM 0 HD2 PRO A 70 10.842 -5.424 -14.358 1.00 22.02 H new ATOM 0 HD3 PRO A 70 11.676 -6.445 -15.513 1.00 22.02 H new ATOM 1051 N ALA A 71 12.280 -5.469 -10.833 1.00 22.31 N ATOM 1052 CA ALA A 71 12.175 -5.108 -9.409 1.00 41.40 C ATOM 1053 C ALA A 71 12.548 -6.339 -8.567 1.00 13.43 C ATOM 1054 O ALA A 71 13.127 -6.236 -7.516 1.00 50.40 O ATOM 1055 CB ALA A 71 10.727 -4.675 -9.113 1.00 63.54 C ATOM 0 H ALA A 71 11.389 -5.552 -11.323 1.00 22.31 H new ATOM 0 HA ALA A 71 12.848 -4.286 -9.165 1.00 41.40 H new ATOM 0 HB1 ALA A 71 10.636 -4.405 -8.061 1.00 63.54 H new ATOM 0 HB2 ALA A 71 10.471 -3.815 -9.732 1.00 63.54 H new ATOM 0 HB3 ALA A 71 10.048 -5.498 -9.336 1.00 63.54 H new ATOM 1061 N GLY A 72 12.263 -7.523 -9.063 1.00 72.35 N ATOM 1062 CA GLY A 72 12.572 -8.728 -8.335 1.00 75.03 C ATOM 1063 C GLY A 72 14.009 -9.082 -8.374 1.00 32.45 C ATOM 1064 O GLY A 72 14.564 -9.385 -7.352 1.00 71.45 O ATOM 0 H GLY A 72 11.818 -7.674 -9.968 1.00 72.35 H new ATOM 0 HA2 GLY A 72 12.263 -8.607 -7.297 1.00 75.03 H new ATOM 0 HA3 GLY A 72 11.990 -9.553 -8.747 1.00 75.03 H new ATOM 1068 N VAL A 73 14.674 -8.958 -9.497 1.00 72.41 N ATOM 1069 CA VAL A 73 16.118 -9.312 -9.549 1.00 42.52 C ATOM 1070 C VAL A 73 16.935 -8.413 -8.592 1.00 33.42 C ATOM 1071 O VAL A 73 17.934 -8.848 -8.019 1.00 43.34 O ATOM 1072 CB VAL A 73 16.660 -9.230 -11.001 1.00 20.34 C ATOM 1073 CG1 VAL A 73 18.146 -9.610 -11.052 1.00 65.23 C ATOM 1074 CG2 VAL A 73 15.878 -10.185 -11.959 1.00 23.42 C ATOM 0 H VAL A 73 14.276 -8.627 -10.376 1.00 72.41 H new ATOM 0 HA VAL A 73 16.228 -10.344 -9.216 1.00 42.52 H new ATOM 0 HB VAL A 73 16.526 -8.199 -11.328 1.00 20.34 H new ATOM 0 HG11 VAL A 73 18.503 -9.545 -12.080 1.00 65.23 H new ATOM 0 HG12 VAL A 73 18.718 -8.926 -10.425 1.00 65.23 H new ATOM 0 HG13 VAL A 73 18.274 -10.629 -10.687 1.00 65.23 H new ATOM 0 HG21 VAL A 73 16.284 -10.102 -12.967 1.00 23.42 H new ATOM 0 HG22 VAL A 73 15.980 -11.213 -11.611 1.00 23.42 H new ATOM 0 HG23 VAL A 73 14.824 -9.908 -11.968 1.00 23.42 H new ATOM 1084 N ALA A 74 16.509 -7.159 -8.412 1.00 41.34 N ATOM 1085 CA ALA A 74 17.267 -6.192 -7.617 1.00 63.42 C ATOM 1086 C ALA A 74 17.613 -6.662 -6.179 1.00 60.24 C ATOM 1087 O ALA A 74 18.663 -6.332 -5.648 1.00 75.33 O ATOM 1088 CB ALA A 74 16.484 -4.889 -7.540 1.00 45.12 C ATOM 0 H ALA A 74 15.643 -6.791 -8.807 1.00 41.34 H new ATOM 0 HA ALA A 74 18.221 -6.065 -8.129 1.00 63.42 H new ATOM 0 HB1 ALA A 74 17.043 -4.163 -6.949 1.00 45.12 H new ATOM 0 HB2 ALA A 74 16.330 -4.497 -8.545 1.00 45.12 H new ATOM 0 HB3 ALA A 74 15.518 -5.072 -7.070 1.00 45.12 H new ATOM 1094 N ARG A 75 16.751 -7.436 -5.587 1.00 44.45 N ATOM 1095 CA ARG A 75 16.961 -7.946 -4.230 1.00 43.51 C ATOM 1096 C ARG A 75 18.187 -8.844 -4.129 1.00 61.14 C ATOM 1097 O ARG A 75 18.816 -8.893 -3.060 1.00 44.32 O ATOM 1098 CB ARG A 75 15.709 -8.657 -3.682 1.00 71.22 C ATOM 1099 CG ARG A 75 15.572 -10.096 -4.167 1.00 0.35 C ATOM 1100 CD ARG A 75 14.371 -10.771 -3.515 1.00 71.10 C ATOM 1101 NE ARG A 75 14.072 -12.052 -4.199 1.00 20.01 N ATOM 1102 CZ ARG A 75 14.561 -13.256 -3.865 1.00 13.31 C ATOM 1103 NH1 ARG A 75 15.353 -13.407 -2.830 1.00 4.24 N ATOM 1104 NH2 ARG A 75 14.251 -14.294 -4.558 1.00 0.14 N ATOM 0 H ARG A 75 15.878 -7.741 -6.016 1.00 44.45 H new ATOM 0 HA ARG A 75 17.149 -7.074 -3.604 1.00 43.51 H new ATOM 0 HB2 ARG A 75 15.743 -8.650 -2.593 1.00 71.22 H new ATOM 0 HB3 ARG A 75 14.822 -8.096 -3.977 1.00 71.22 H new ATOM 0 HG2 ARG A 75 15.460 -10.111 -5.251 1.00 0.35 H new ATOM 0 HG3 ARG A 75 16.480 -10.652 -3.933 1.00 0.35 H new ATOM 0 HD2 ARG A 75 14.575 -10.952 -2.460 1.00 71.10 H new ATOM 0 HD3 ARG A 75 13.504 -10.113 -3.564 1.00 71.10 H new ATOM 0 HE ARG A 75 13.437 -12.015 -4.996 1.00 20.01 H new ATOM 0 HH11 ARG A 75 15.608 -12.600 -2.261 1.00 4.24 H new ATOM 0 HH12 ARG A 75 15.713 -14.332 -2.594 1.00 4.24 H new ATOM 0 HH21 ARG A 75 13.632 -14.203 -5.364 1.00 0.14 H new ATOM 0 HH22 ARG A 75 14.624 -15.208 -4.302 1.00 0.14 H new