USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD Set 2.1: A 26 GLN : amide:sc= 0.589 X(o=1.3,f=0.96) USER MOD Set 2.2: A 30 TYR OH : rot 30:sc= 0.708 USER MOD Single : A 11 MET CE :methyl -157:sc= -0.123 (180deg=-0.783) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 140:sc= -0.441 (180deg=-2.08) USER MOD Single : A 20 THR OG1 : rot -68:sc= 1.14 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.813 K(o=-0.81,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.853 K(o=-0.85,f=-3.9!) USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= 0.0852 (180deg=0.000544) USER MOD Single : A 55 THR OG1 : rot 24:sc= 0.0967 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.139 K(o=-0.14,f=-4.9!) USER MOD Single : A 65 LYS NZ :NH3+ -116:sc= 0.48 (180deg=-0.888) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 8.048 -21.289 10.547 1.00 25.52 N ATOM 135 CA GLU A 9 7.297 -21.887 11.650 1.00 71.21 C ATOM 136 C GLU A 9 7.925 -23.229 12.071 1.00 43.03 C ATOM 137 O GLU A 9 7.503 -24.295 11.618 1.00 63.51 O ATOM 138 CB GLU A 9 5.820 -22.110 11.263 1.00 34.14 C ATOM 139 CG GLU A 9 5.071 -20.863 10.786 1.00 62.52 C ATOM 140 CD GLU A 9 5.458 -20.419 9.381 1.00 41.31 C ATOM 141 OE1 GLU A 9 5.100 -21.119 8.412 1.00 42.23 O ATOM 142 OE2 GLU A 9 6.117 -19.367 9.239 1.00 42.22 O ATOM 0 HA GLU A 9 7.338 -21.192 12.488 1.00 71.21 H new ATOM 0 HB2 GLU A 9 5.778 -22.862 10.475 1.00 34.14 H new ATOM 0 HB3 GLU A 9 5.294 -22.521 12.125 1.00 34.14 H new ATOM 0 HG2 GLU A 9 3.999 -21.060 10.813 1.00 62.52 H new ATOM 0 HG3 GLU A 9 5.262 -20.046 11.482 1.00 62.52 H new ATOM 149 N TRP A 10 8.963 -23.164 12.900 1.00 4.31 N ATOM 150 CA TRP A 10 9.619 -24.367 13.424 1.00 51.23 C ATOM 151 C TRP A 10 9.194 -24.637 14.873 1.00 62.51 C ATOM 152 O TRP A 10 9.231 -23.740 15.717 1.00 21.00 O ATOM 153 CB TRP A 10 11.147 -24.215 13.367 1.00 63.30 C ATOM 154 CG TRP A 10 11.709 -24.126 11.976 1.00 33.24 C ATOM 155 CD1 TRP A 10 11.907 -22.995 11.236 1.00 45.24 C ATOM 156 CD2 TRP A 10 12.160 -25.221 11.164 1.00 61.51 C ATOM 157 NE1 TRP A 10 12.451 -23.319 10.016 1.00 41.32 N ATOM 158 CE2 TRP A 10 12.619 -24.677 9.950 1.00 13.41 C ATOM 159 CE3 TRP A 10 12.226 -26.606 11.350 1.00 43.14 C ATOM 160 CZ2 TRP A 10 13.131 -25.470 8.926 1.00 5.11 C ATOM 161 CZ3 TRP A 10 12.735 -27.392 10.332 1.00 73.55 C ATOM 162 CH2 TRP A 10 13.185 -26.821 9.136 1.00 70.33 C ATOM 0 H TRP A 10 9.372 -22.289 13.227 1.00 4.31 H new ATOM 0 HA TRP A 10 9.313 -25.208 12.801 1.00 51.23 H new ATOM 0 HB2 TRP A 10 11.432 -23.319 13.919 1.00 63.30 H new ATOM 0 HB3 TRP A 10 11.604 -25.063 13.877 1.00 63.30 H new ATOM 0 HD1 TRP A 10 11.671 -21.993 11.562 1.00 45.24 H new ATOM 0 HE1 TRP A 10 12.691 -22.656 9.279 1.00 41.32 H new ATOM 0 HE3 TRP A 10 11.886 -27.054 12.272 1.00 43.14 H new ATOM 0 HZ2 TRP A 10 13.473 -25.034 7.999 1.00 5.11 H new ATOM 0 HZ3 TRP A 10 12.786 -28.463 10.462 1.00 73.55 H new ATOM 0 HH2 TRP A 10 13.583 -27.460 8.362 1.00 70.33 H new ATOM 173 N MET A 11 8.778 -25.868 15.155 1.00 52.42 N ATOM 174 CA MET A 11 8.472 -26.284 16.530 1.00 25.21 C ATOM 175 C MET A 11 8.833 -27.758 16.759 1.00 70.33 C ATOM 176 O MET A 11 9.015 -28.519 15.804 1.00 50.45 O ATOM 177 CB MET A 11 6.987 -26.058 16.865 1.00 62.21 C ATOM 178 CG MET A 11 6.014 -26.857 16.000 1.00 43.34 C ATOM 179 SD MET A 11 5.839 -26.197 14.332 1.00 41.32 S ATOM 180 CE MET A 11 5.046 -24.626 14.669 1.00 74.10 C ATOM 0 H MET A 11 8.644 -26.597 14.455 1.00 52.42 H new ATOM 0 HA MET A 11 9.079 -25.667 17.193 1.00 25.21 H new ATOM 0 HB2 MET A 11 6.820 -26.316 17.911 1.00 62.21 H new ATOM 0 HB3 MET A 11 6.761 -24.997 16.759 1.00 62.21 H new ATOM 0 HG2 MET A 11 6.355 -27.890 15.941 1.00 43.34 H new ATOM 0 HG3 MET A 11 5.037 -26.871 16.482 1.00 43.34 H new ATOM 0 HE1 MET A 11 4.512 -24.290 13.780 1.00 74.10 H new ATOM 0 HE2 MET A 11 4.342 -24.743 15.492 1.00 74.10 H new ATOM 0 HE3 MET A 11 5.801 -23.888 14.940 1.00 74.10 H new ATOM 190 N VAL A 12 8.943 -28.152 18.029 1.00 11.55 N ATOM 191 CA VAL A 12 9.204 -29.552 18.389 1.00 61.13 C ATOM 192 C VAL A 12 7.969 -30.435 18.150 1.00 13.53 C ATOM 193 O VAL A 12 6.847 -29.935 18.045 1.00 1.13 O ATOM 194 CB VAL A 12 9.644 -29.690 19.871 1.00 61.11 C ATOM 195 CG1 VAL A 12 10.955 -28.948 20.117 1.00 61.01 C ATOM 196 CG2 VAL A 12 8.548 -29.191 20.814 1.00 43.54 C ATOM 0 H VAL A 12 8.856 -27.523 18.827 1.00 11.55 H new ATOM 0 HA VAL A 12 10.016 -29.889 17.744 1.00 61.13 H new ATOM 0 HB VAL A 12 9.810 -30.747 20.079 1.00 61.11 H new ATOM 0 HG11 VAL A 12 11.245 -29.058 21.162 1.00 61.01 H new ATOM 0 HG12 VAL A 12 11.734 -29.365 19.479 1.00 61.01 H new ATOM 0 HG13 VAL A 12 10.824 -27.891 19.886 1.00 61.01 H new ATOM 0 HG21 VAL A 12 8.880 -29.298 21.847 1.00 43.54 H new ATOM 0 HG22 VAL A 12 8.340 -28.141 20.607 1.00 43.54 H new ATOM 0 HG23 VAL A 12 7.642 -29.778 20.662 1.00 43.54 H new ATOM 206 N GLU A 13 8.185 -31.749 18.090 1.00 53.21 N ATOM 207 CA GLU A 13 7.109 -32.723 17.843 1.00 30.01 C ATOM 208 C GLU A 13 5.901 -32.508 18.775 1.00 62.14 C ATOM 209 O GLU A 13 4.750 -32.526 18.332 1.00 44.14 O ATOM 210 CB GLU A 13 7.658 -34.147 18.021 1.00 33.31 C ATOM 211 CG GLU A 13 6.651 -35.250 17.710 1.00 65.22 C ATOM 212 CD GLU A 13 7.226 -36.639 17.939 1.00 60.11 C ATOM 213 OE1 GLU A 13 7.512 -36.976 19.111 1.00 13.44 O ATOM 214 OE2 GLU A 13 7.406 -37.396 16.960 1.00 62.35 O ATOM 0 H GLU A 13 9.105 -32.172 18.210 1.00 53.21 H new ATOM 0 HA GLU A 13 6.759 -32.578 16.821 1.00 30.01 H new ATOM 0 HB2 GLU A 13 8.528 -34.272 17.376 1.00 33.31 H new ATOM 0 HB3 GLU A 13 8.003 -34.265 19.048 1.00 33.31 H new ATOM 0 HG2 GLU A 13 5.767 -35.118 18.334 1.00 65.22 H new ATOM 0 HG3 GLU A 13 6.326 -35.160 16.673 1.00 65.22 H new ATOM 221 N LYS A 14 6.176 -32.295 20.063 1.00 2.32 N ATOM 222 CA LYS A 14 5.121 -32.077 21.064 1.00 43.32 C ATOM 223 C LYS A 14 4.247 -30.862 20.699 1.00 11.14 C ATOM 224 O LYS A 14 3.023 -30.923 20.776 1.00 54.35 O ATOM 225 CB LYS A 14 5.756 -31.903 22.459 1.00 12.34 C ATOM 226 CG LYS A 14 4.769 -31.994 23.631 1.00 4.13 C ATOM 227 CD LYS A 14 4.103 -30.656 23.941 1.00 42.13 C ATOM 228 CE LYS A 14 5.099 -29.644 24.494 1.00 41.40 C ATOM 229 NZ LYS A 14 4.445 -28.357 24.844 1.00 32.13 N ATOM 0 H LYS A 14 7.123 -32.268 20.442 1.00 2.32 H new ATOM 0 HA LYS A 14 4.469 -32.951 21.079 1.00 43.32 H new ATOM 0 HB2 LYS A 14 6.525 -32.664 22.590 1.00 12.34 H new ATOM 0 HB3 LYS A 14 6.256 -30.935 22.497 1.00 12.34 H new ATOM 0 HG2 LYS A 14 4.002 -32.733 23.399 1.00 4.13 H new ATOM 0 HG3 LYS A 14 5.295 -32.348 24.518 1.00 4.13 H new ATOM 0 HD2 LYS A 14 3.646 -30.259 23.035 1.00 42.13 H new ATOM 0 HD3 LYS A 14 3.300 -30.808 24.663 1.00 42.13 H new ATOM 0 HE2 LYS A 14 5.583 -30.057 25.379 1.00 41.40 H new ATOM 0 HE3 LYS A 14 5.882 -29.465 23.757 1.00 41.40 H new ATOM 0 HZ1 LYS A 14 5.156 -27.696 25.216 1.00 32.13 H new ATOM 0 HZ2 LYS A 14 4.005 -27.949 23.995 1.00 32.13 H new ATOM 0 HZ3 LYS A 14 3.716 -28.523 25.566 1.00 32.13 H new ATOM 243 N ALA A 15 4.880 -29.766 20.291 1.00 71.20 N ATOM 244 CA ALA A 15 4.144 -28.569 19.866 1.00 33.24 C ATOM 245 C ALA A 15 3.487 -28.775 18.491 1.00 0.25 C ATOM 246 O ALA A 15 2.395 -28.265 18.222 1.00 3.21 O ATOM 247 CB ALA A 15 5.075 -27.362 19.833 1.00 71.00 C ATOM 0 H ALA A 15 5.895 -29.677 20.244 1.00 71.20 H new ATOM 0 HA ALA A 15 3.351 -28.386 20.591 1.00 33.24 H new ATOM 0 HB1 ALA A 15 4.517 -26.481 19.516 1.00 71.00 H new ATOM 0 HB2 ALA A 15 5.487 -27.193 20.828 1.00 71.00 H new ATOM 0 HB3 ALA A 15 5.888 -27.548 19.131 1.00 71.00 H new ATOM 253 N LEU A 16 4.160 -29.536 17.632 1.00 71.45 N ATOM 254 CA LEU A 16 3.680 -29.808 16.274 1.00 51.41 C ATOM 255 C LEU A 16 2.322 -30.528 16.307 1.00 62.23 C ATOM 256 O LEU A 16 1.371 -30.110 15.639 1.00 74.43 O ATOM 257 CB LEU A 16 4.737 -30.641 15.515 1.00 43.14 C ATOM 258 CG LEU A 16 4.540 -30.808 13.988 1.00 65.21 C ATOM 259 CD1 LEU A 16 3.446 -31.823 13.662 1.00 20.32 C ATOM 260 CD2 LEU A 16 4.237 -29.461 13.330 1.00 54.45 C ATOM 0 H LEU A 16 5.050 -29.981 17.853 1.00 71.45 H new ATOM 0 HA LEU A 16 3.533 -28.864 15.749 1.00 51.41 H new ATOM 0 HB2 LEU A 16 5.712 -30.184 15.682 1.00 43.14 H new ATOM 0 HB3 LEU A 16 4.770 -31.634 15.962 1.00 43.14 H new ATOM 0 HG LEU A 16 5.475 -31.193 13.581 1.00 65.21 H new ATOM 0 HD11 LEU A 16 3.341 -31.910 12.581 1.00 20.32 H new ATOM 0 HD12 LEU A 16 3.714 -32.794 14.079 1.00 20.32 H new ATOM 0 HD13 LEU A 16 2.502 -31.491 14.093 1.00 20.32 H new ATOM 0 HD21 LEU A 16 4.102 -29.602 12.258 1.00 54.45 H new ATOM 0 HD22 LEU A 16 3.326 -29.044 13.758 1.00 54.45 H new ATOM 0 HD23 LEU A 16 5.067 -28.776 13.504 1.00 54.45 H new ATOM 272 N MET A 17 2.229 -31.599 17.095 1.00 12.42 N ATOM 273 CA MET A 17 0.983 -32.372 17.201 1.00 33.24 C ATOM 274 C MET A 17 -0.177 -31.512 17.739 1.00 72.15 C ATOM 275 O MET A 17 -1.339 -31.753 17.419 1.00 5.11 O ATOM 276 CB MET A 17 1.187 -33.605 18.090 1.00 10.20 C ATOM 277 CG MET A 17 1.569 -33.283 19.528 1.00 74.31 C ATOM 278 SD MET A 17 1.854 -34.764 20.511 1.00 33.43 S ATOM 279 CE MET A 17 3.225 -35.506 19.625 1.00 62.35 C ATOM 0 H MET A 17 2.995 -31.953 17.668 1.00 12.42 H new ATOM 0 HA MET A 17 0.716 -32.700 16.197 1.00 33.24 H new ATOM 0 HB2 MET A 17 0.269 -34.192 18.093 1.00 10.20 H new ATOM 0 HB3 MET A 17 1.964 -34.231 17.651 1.00 10.20 H new ATOM 0 HG2 MET A 17 2.469 -32.668 19.533 1.00 74.31 H new ATOM 0 HG3 MET A 17 0.777 -32.692 19.988 1.00 74.31 H new ATOM 0 HE1 MET A 17 3.938 -35.919 20.338 1.00 62.35 H new ATOM 0 HE2 MET A 17 2.853 -36.303 18.981 1.00 62.35 H new ATOM 0 HE3 MET A 17 3.718 -34.748 19.017 1.00 62.35 H new ATOM 289 N VAL A 18 0.150 -30.506 18.549 1.00 42.24 N ATOM 290 CA VAL A 18 -0.856 -29.579 19.081 1.00 33.12 C ATOM 291 C VAL A 18 -1.345 -28.603 17.994 1.00 52.23 C ATOM 292 O VAL A 18 -2.530 -28.274 17.922 1.00 40.42 O ATOM 293 CB VAL A 18 -0.294 -28.777 20.287 1.00 72.22 C ATOM 294 CG1 VAL A 18 -1.341 -27.810 20.845 1.00 61.53 C ATOM 295 CG2 VAL A 18 0.206 -29.726 21.378 1.00 11.41 C ATOM 0 H VAL A 18 1.104 -30.309 18.853 1.00 42.24 H new ATOM 0 HA VAL A 18 -1.701 -30.179 19.419 1.00 33.12 H new ATOM 0 HB VAL A 18 0.550 -28.185 19.933 1.00 72.22 H new ATOM 0 HG11 VAL A 18 -0.919 -27.263 21.688 1.00 61.53 H new ATOM 0 HG12 VAL A 18 -1.637 -27.106 20.067 1.00 61.53 H new ATOM 0 HG13 VAL A 18 -2.214 -28.371 21.178 1.00 61.53 H new ATOM 0 HG21 VAL A 18 0.596 -29.146 22.214 1.00 11.41 H new ATOM 0 HG22 VAL A 18 -0.618 -30.351 21.723 1.00 11.41 H new ATOM 0 HG23 VAL A 18 0.997 -30.359 20.975 1.00 11.41 H new ATOM 305 N ARG A 19 -0.426 -28.158 17.137 1.00 25.51 N ATOM 306 CA ARG A 19 -0.761 -27.221 16.055 1.00 35.40 C ATOM 307 C ARG A 19 -1.444 -27.929 14.870 1.00 70.24 C ATOM 308 O ARG A 19 -2.166 -27.299 14.096 1.00 25.23 O ATOM 309 CB ARG A 19 0.508 -26.503 15.564 1.00 75.20 C ATOM 310 CG ARG A 19 1.258 -25.746 16.659 1.00 32.12 C ATOM 311 CD ARG A 19 0.411 -24.637 17.277 1.00 64.35 C ATOM 312 NE ARG A 19 0.077 -23.589 16.312 1.00 11.52 N ATOM 313 CZ ARG A 19 -0.697 -22.567 16.569 1.00 74.54 C ATOM 314 NH1 ARG A 19 -1.268 -22.438 17.725 1.00 2.23 N ATOM 315 NH2 ARG A 19 -0.909 -21.674 15.657 1.00 63.34 N ATOM 0 H ARG A 19 0.557 -28.429 17.168 1.00 25.51 H new ATOM 0 HA ARG A 19 -1.464 -26.494 16.462 1.00 35.40 H new ATOM 0 HB2 ARG A 19 1.179 -27.238 15.119 1.00 75.20 H new ATOM 0 HB3 ARG A 19 0.234 -25.803 14.775 1.00 75.20 H new ATOM 0 HG2 ARG A 19 1.563 -26.445 17.438 1.00 32.12 H new ATOM 0 HG3 ARG A 19 2.169 -25.316 16.242 1.00 32.12 H new ATOM 0 HD2 ARG A 19 -0.508 -25.065 17.677 1.00 64.35 H new ATOM 0 HD3 ARG A 19 0.949 -24.197 18.116 1.00 64.35 H new ATOM 0 HE ARG A 19 0.475 -23.661 15.376 1.00 11.52 H new ATOM 0 HH11 ARG A 19 -1.116 -23.139 18.450 1.00 2.23 H new ATOM 0 HH12 ARG A 19 -1.869 -21.635 17.910 1.00 2.23 H new ATOM 0 HH21 ARG A 19 -0.473 -21.768 14.740 1.00 63.34 H new ATOM 0 HH22 ARG A 19 -1.512 -20.876 15.855 1.00 63.34 H new ATOM 329 N THR A 20 -1.200 -29.231 14.724 1.00 35.13 N ATOM 330 CA THR A 20 -1.735 -30.004 13.587 1.00 43.35 C ATOM 331 C THR A 20 -2.917 -30.905 13.981 1.00 3.11 C ATOM 332 O THR A 20 -3.797 -31.173 13.163 1.00 52.25 O ATOM 333 CB THR A 20 -0.638 -30.891 12.956 1.00 10.32 C ATOM 334 OG1 THR A 20 -0.085 -31.771 13.951 1.00 24.20 O ATOM 335 CG2 THR A 20 0.475 -30.040 12.346 1.00 34.12 C ATOM 0 H THR A 20 -0.637 -29.779 15.374 1.00 35.13 H new ATOM 0 HA THR A 20 -2.088 -29.265 12.868 1.00 43.35 H new ATOM 0 HB THR A 20 -1.095 -31.480 12.161 1.00 10.32 H new ATOM 0 HG1 THR A 20 0.422 -31.247 14.606 1.00 24.20 H new ATOM 0 HG21 THR A 20 1.233 -30.691 11.909 1.00 34.12 H new ATOM 0 HG22 THR A 20 0.058 -29.397 11.571 1.00 34.12 H new ATOM 0 HG23 THR A 20 0.929 -29.424 13.122 1.00 34.12 H new ATOM 343 N GLY A 21 -2.933 -31.375 15.228 1.00 62.23 N ATOM 344 CA GLY A 21 -3.994 -32.270 15.688 1.00 31.41 C ATOM 345 C GLY A 21 -3.644 -33.750 15.531 1.00 44.31 C ATOM 346 O GLY A 21 -4.500 -34.618 15.702 1.00 33.04 O ATOM 0 H GLY A 21 -2.230 -31.153 15.933 1.00 62.23 H new ATOM 0 HA2 GLY A 21 -4.206 -32.063 16.737 1.00 31.41 H new ATOM 0 HA3 GLY A 21 -4.906 -32.058 15.131 1.00 31.41 H new ATOM 350 N LEU A 22 -2.384 -34.040 15.206 1.00 70.10 N ATOM 351 CA LEU A 22 -1.921 -35.426 15.025 1.00 43.34 C ATOM 352 C LEU A 22 -1.542 -36.091 16.362 1.00 32.13 C ATOM 353 O LEU A 22 -1.427 -35.428 17.395 1.00 5.33 O ATOM 354 CB LEU A 22 -0.719 -35.469 14.062 1.00 3.23 C ATOM 355 CG LEU A 22 -1.059 -35.467 12.560 1.00 32.25 C ATOM 356 CD1 LEU A 22 -1.969 -34.298 12.193 1.00 0.10 C ATOM 357 CD2 LEU A 22 0.220 -35.434 11.726 1.00 52.34 C ATOM 0 H LEU A 22 -1.661 -33.336 15.061 1.00 70.10 H new ATOM 0 HA LEU A 22 -2.752 -35.988 14.598 1.00 43.34 H new ATOM 0 HB2 LEU A 22 -0.080 -34.611 14.271 1.00 3.23 H new ATOM 0 HB3 LEU A 22 -0.135 -36.363 14.281 1.00 3.23 H new ATOM 0 HG LEU A 22 -1.600 -36.387 12.339 1.00 32.25 H new ATOM 0 HD11 LEU A 22 -2.188 -34.329 11.126 1.00 0.10 H new ATOM 0 HD12 LEU A 22 -2.899 -34.370 12.756 1.00 0.10 H new ATOM 0 HD13 LEU A 22 -1.471 -33.359 12.434 1.00 0.10 H new ATOM 0 HD21 LEU A 22 -0.036 -35.433 10.667 1.00 52.34 H new ATOM 0 HD22 LEU A 22 0.786 -34.533 11.963 1.00 52.34 H new ATOM 0 HD23 LEU A 22 0.825 -36.312 11.952 1.00 52.34 H new ATOM 369 N GLY A 23 -1.354 -37.413 16.331 1.00 74.23 N ATOM 370 CA GLY A 23 -0.945 -38.151 17.523 1.00 13.15 C ATOM 371 C GLY A 23 0.506 -38.620 17.459 1.00 32.44 C ATOM 372 O GLY A 23 1.081 -38.726 16.374 1.00 3.24 O ATOM 0 H GLY A 23 -1.478 -37.989 15.498 1.00 74.23 H new ATOM 0 HA2 GLY A 23 -1.079 -37.518 18.400 1.00 13.15 H new ATOM 0 HA3 GLY A 23 -1.596 -39.016 17.651 1.00 13.15 H new ATOM 376 N ALA A 24 1.089 -38.911 18.622 1.00 50.30 N ATOM 377 CA ALA A 24 2.493 -39.344 18.720 1.00 3.51 C ATOM 378 C ALA A 24 2.834 -40.495 17.751 1.00 63.33 C ATOM 379 O ALA A 24 3.854 -40.450 17.050 1.00 53.42 O ATOM 380 CB ALA A 24 2.803 -39.751 20.157 1.00 31.13 C ATOM 0 H ALA A 24 0.609 -38.855 19.521 1.00 50.30 H new ATOM 0 HA ALA A 24 3.116 -38.498 18.429 1.00 3.51 H new ATOM 0 HB1 ALA A 24 3.842 -40.071 20.228 1.00 31.13 H new ATOM 0 HB2 ALA A 24 2.639 -38.901 20.819 1.00 31.13 H new ATOM 0 HB3 ALA A 24 2.149 -40.572 20.452 1.00 31.13 H new ATOM 386 N ARG A 25 1.975 -41.516 17.703 1.00 70.05 N ATOM 387 CA ARG A 25 2.212 -42.683 16.842 1.00 41.10 C ATOM 388 C ARG A 25 1.924 -42.361 15.365 1.00 75.25 C ATOM 389 O ARG A 25 2.608 -42.857 14.465 1.00 15.13 O ATOM 390 CB ARG A 25 1.370 -43.885 17.307 1.00 31.13 C ATOM 391 CG ARG A 25 1.586 -45.150 16.474 1.00 22.42 C ATOM 392 CD ARG A 25 0.851 -46.356 17.055 1.00 11.21 C ATOM 393 NE ARG A 25 1.382 -46.752 18.360 1.00 72.35 N ATOM 394 CZ ARG A 25 1.413 -47.981 18.799 1.00 61.12 C ATOM 395 NH1 ARG A 25 0.928 -48.948 18.090 1.00 4.54 N ATOM 396 NH2 ARG A 25 1.917 -48.238 19.959 1.00 44.31 N ATOM 0 H ARG A 25 1.113 -41.561 18.246 1.00 70.05 H new ATOM 0 HA ARG A 25 3.267 -42.945 16.927 1.00 41.10 H new ATOM 0 HB2 ARG A 25 1.608 -44.102 18.348 1.00 31.13 H new ATOM 0 HB3 ARG A 25 0.315 -43.613 17.271 1.00 31.13 H new ATOM 0 HG2 ARG A 25 1.243 -44.974 15.454 1.00 22.42 H new ATOM 0 HG3 ARG A 25 2.652 -45.369 16.419 1.00 22.42 H new ATOM 0 HD2 ARG A 25 -0.209 -46.121 17.152 1.00 11.21 H new ATOM 0 HD3 ARG A 25 0.929 -47.195 16.363 1.00 11.21 H new ATOM 0 HE ARG A 25 1.752 -46.020 18.966 1.00 72.35 H new ATOM 0 HH11 ARG A 25 0.516 -48.754 17.177 1.00 4.54 H new ATOM 0 HH12 ARG A 25 0.958 -49.904 18.443 1.00 4.54 H new ATOM 0 HH21 ARG A 25 2.291 -47.481 20.532 1.00 44.31 H new ATOM 0 HH22 ARG A 25 1.942 -49.198 20.303 1.00 44.31 H new ATOM 410 N GLN A 26 0.918 -41.523 15.115 1.00 41.50 N ATOM 411 CA GLN A 26 0.593 -41.106 13.746 1.00 34.14 C ATOM 412 C GLN A 26 1.775 -40.348 13.117 1.00 11.31 C ATOM 413 O GLN A 26 2.108 -40.544 11.946 1.00 13.50 O ATOM 414 CB GLN A 26 -0.664 -40.221 13.732 1.00 13.04 C ATOM 415 CG GLN A 26 -1.264 -40.033 12.343 1.00 34.22 C ATOM 416 CD GLN A 26 -2.440 -39.073 12.330 1.00 72.40 C ATOM 417 OE1 GLN A 26 -3.144 -38.915 13.318 1.00 75.41 O ATOM 418 NE2 GLN A 26 -2.674 -38.443 11.198 1.00 10.13 N ATOM 0 H GLN A 26 0.317 -41.121 15.834 1.00 41.50 H new ATOM 0 HA GLN A 26 0.396 -42.002 13.158 1.00 34.14 H new ATOM 0 HB2 GLN A 26 -1.416 -40.662 14.386 1.00 13.04 H new ATOM 0 HB3 GLN A 26 -0.415 -39.244 14.146 1.00 13.04 H new ATOM 0 HG2 GLN A 26 -0.493 -39.663 11.667 1.00 34.22 H new ATOM 0 HG3 GLN A 26 -1.588 -41.000 11.959 1.00 34.22 H new ATOM 0 HE21 GLN A 26 -2.067 -38.598 10.393 1.00 10.13 H new ATOM 0 HE22 GLN A 26 -3.462 -37.800 11.126 1.00 10.13 H new ATOM 427 N ILE A 27 2.413 -39.494 13.914 1.00 10.11 N ATOM 428 CA ILE A 27 3.575 -38.725 13.459 1.00 23.41 C ATOM 429 C ILE A 27 4.779 -39.637 13.169 1.00 64.41 C ATOM 430 O ILE A 27 5.400 -39.534 12.110 1.00 51.12 O ATOM 431 CB ILE A 27 3.982 -37.644 14.497 1.00 62.24 C ATOM 432 CG1 ILE A 27 2.835 -36.637 14.693 1.00 13.51 C ATOM 433 CG2 ILE A 27 5.265 -36.927 14.067 1.00 40.04 C ATOM 434 CD1 ILE A 27 3.144 -35.542 15.693 1.00 75.54 C ATOM 0 H ILE A 27 2.146 -39.315 14.882 1.00 10.11 H new ATOM 0 HA ILE A 27 3.280 -38.231 12.533 1.00 23.41 H new ATOM 0 HB ILE A 27 4.178 -38.138 15.449 1.00 62.24 H new ATOM 0 HG12 ILE A 27 2.597 -36.181 13.732 1.00 13.51 H new ATOM 0 HG13 ILE A 27 1.945 -37.174 15.021 1.00 13.51 H new ATOM 0 HG21 ILE A 27 5.528 -36.175 14.811 1.00 40.04 H new ATOM 0 HG22 ILE A 27 6.075 -37.651 13.981 1.00 40.04 H new ATOM 0 HG23 ILE A 27 5.106 -36.444 13.103 1.00 40.04 H new ATOM 0 HD11 ILE A 27 2.288 -34.873 15.776 1.00 75.54 H new ATOM 0 HD12 ILE A 27 3.353 -35.986 16.666 1.00 75.54 H new ATOM 0 HD13 ILE A 27 4.014 -34.978 15.358 1.00 75.54 H new ATOM 446 N GLU A 28 5.106 -40.538 14.102 1.00 30.34 N ATOM 447 CA GLU A 28 6.256 -41.438 13.923 1.00 50.05 C ATOM 448 C GLU A 28 6.046 -42.384 12.725 1.00 51.14 C ATOM 449 O GLU A 28 7.009 -42.901 12.154 1.00 12.14 O ATOM 450 CB GLU A 28 6.544 -42.245 15.199 1.00 22.02 C ATOM 451 CG GLU A 28 5.571 -43.387 15.454 1.00 60.23 C ATOM 452 CD GLU A 28 5.929 -44.203 16.687 1.00 44.31 C ATOM 453 OE1 GLU A 28 7.119 -44.558 16.851 1.00 41.44 O ATOM 454 OE2 GLU A 28 5.018 -44.526 17.475 1.00 33.33 O ATOM 0 H GLU A 28 4.600 -40.665 14.978 1.00 30.34 H new ATOM 0 HA GLU A 28 7.124 -40.812 13.716 1.00 50.05 H new ATOM 0 HB2 GLU A 28 7.554 -42.651 15.137 1.00 22.02 H new ATOM 0 HB3 GLU A 28 6.524 -41.569 16.054 1.00 22.02 H new ATOM 0 HG2 GLU A 28 4.566 -42.982 15.571 1.00 60.23 H new ATOM 0 HG3 GLU A 28 5.551 -44.043 14.583 1.00 60.23 H new ATOM 461 N SER A 29 4.784 -42.609 12.354 1.00 55.41 N ATOM 462 CA SER A 29 4.459 -43.353 11.127 1.00 30.14 C ATOM 463 C SER A 29 4.888 -42.553 9.889 1.00 72.10 C ATOM 464 O SER A 29 5.565 -43.073 8.997 1.00 2.10 O ATOM 465 CB SER A 29 2.954 -43.663 11.052 1.00 41.10 C ATOM 466 OG SER A 29 2.635 -44.374 9.865 1.00 31.50 O ATOM 0 H SER A 29 3.971 -42.290 12.880 1.00 55.41 H new ATOM 0 HA SER A 29 5.005 -44.296 11.151 1.00 30.14 H new ATOM 0 HB2 SER A 29 2.657 -44.250 11.921 1.00 41.10 H new ATOM 0 HB3 SER A 29 2.386 -42.733 11.086 1.00 41.10 H new ATOM 0 HG SER A 29 1.673 -44.559 9.843 1.00 31.50 H new ATOM 472 N TYR A 30 4.505 -41.276 9.847 1.00 40.51 N ATOM 473 CA TYR A 30 4.918 -40.378 8.755 1.00 22.51 C ATOM 474 C TYR A 30 6.444 -40.184 8.745 1.00 54.12 C ATOM 475 O TYR A 30 7.061 -40.031 7.688 1.00 1.03 O ATOM 476 CB TYR A 30 4.230 -39.013 8.886 1.00 72.20 C ATOM 477 CG TYR A 30 2.715 -39.069 8.833 1.00 45.32 C ATOM 478 CD1 TYR A 30 2.052 -40.023 8.068 1.00 10.33 C ATOM 479 CD2 TYR A 30 1.948 -38.155 9.546 1.00 1.15 C ATOM 480 CE1 TYR A 30 0.670 -40.065 8.020 1.00 23.23 C ATOM 481 CE2 TYR A 30 0.568 -38.192 9.500 1.00 63.02 C ATOM 482 CZ TYR A 30 -0.065 -39.145 8.735 1.00 70.13 C ATOM 483 OH TYR A 30 -1.443 -39.181 8.691 1.00 74.25 O ATOM 0 H TYR A 30 3.912 -40.837 10.551 1.00 40.51 H new ATOM 0 HA TYR A 30 4.617 -40.843 7.816 1.00 22.51 H new ATOM 0 HB2 TYR A 30 4.532 -38.556 9.828 1.00 72.20 H new ATOM 0 HB3 TYR A 30 4.586 -38.362 8.088 1.00 72.20 H new ATOM 0 HD1 TYR A 30 2.625 -40.743 7.502 1.00 10.33 H new ATOM 0 HD2 TYR A 30 2.439 -37.403 10.146 1.00 1.15 H new ATOM 0 HE1 TYR A 30 0.170 -40.815 7.425 1.00 23.23 H new ATOM 0 HE2 TYR A 30 -0.012 -37.476 10.062 1.00 63.02 H new ATOM 0 HH TYR A 30 -1.742 -40.103 8.549 1.00 74.25 H new ATOM 493 N ARG A 31 7.039 -40.195 9.939 1.00 63.34 N ATOM 494 CA ARG A 31 8.496 -40.111 10.097 1.00 23.44 C ATOM 495 C ARG A 31 9.214 -41.307 9.439 1.00 13.11 C ATOM 496 O ARG A 31 10.428 -41.287 9.255 1.00 42.45 O ATOM 497 CB ARG A 31 8.860 -40.024 11.592 1.00 25.32 C ATOM 498 CG ARG A 31 8.528 -38.676 12.235 1.00 63.32 C ATOM 499 CD ARG A 31 8.713 -38.689 13.756 1.00 70.23 C ATOM 500 NE ARG A 31 10.021 -39.205 14.157 1.00 70.23 N ATOM 501 CZ ARG A 31 10.518 -39.099 15.361 1.00 32.32 C ATOM 502 NH1 ARG A 31 9.878 -38.461 16.293 1.00 64.11 N ATOM 503 NH2 ARG A 31 11.665 -39.637 15.624 1.00 11.25 N ATOM 0 H ARG A 31 6.530 -40.262 10.820 1.00 63.34 H new ATOM 0 HA ARG A 31 8.835 -39.208 9.590 1.00 23.44 H new ATOM 0 HB2 ARG A 31 8.333 -40.812 12.130 1.00 25.32 H new ATOM 0 HB3 ARG A 31 9.926 -40.218 11.708 1.00 25.32 H new ATOM 0 HG2 ARG A 31 9.164 -37.904 11.802 1.00 63.32 H new ATOM 0 HG3 ARG A 31 7.498 -38.409 12.000 1.00 63.32 H new ATOM 0 HD2 ARG A 31 8.591 -37.677 14.142 1.00 70.23 H new ATOM 0 HD3 ARG A 31 7.931 -39.299 14.209 1.00 70.23 H new ATOM 0 HE ARG A 31 10.583 -39.679 13.450 1.00 70.23 H new ATOM 0 HH11 ARG A 31 8.974 -38.034 16.090 1.00 64.11 H new ATOM 0 HH12 ARG A 31 10.279 -38.387 17.228 1.00 64.11 H new ATOM 0 HH21 ARG A 31 12.172 -40.138 14.895 1.00 11.25 H new ATOM 0 HH22 ARG A 31 12.062 -39.560 16.561 1.00 11.25 H new ATOM 517 N GLN A 32 8.454 -42.345 9.087 1.00 4.43 N ATOM 518 CA GLN A 32 9.002 -43.526 8.405 1.00 5.01 C ATOM 519 C GLN A 32 8.728 -43.488 6.887 1.00 20.21 C ATOM 520 O GLN A 32 8.923 -44.487 6.190 1.00 3.32 O ATOM 521 CB GLN A 32 8.399 -44.802 9.016 1.00 24.51 C ATOM 522 CG GLN A 32 8.787 -45.034 10.476 1.00 24.31 C ATOM 523 CD GLN A 32 8.095 -46.242 11.088 1.00 61.43 C ATOM 524 OE1 GLN A 32 8.595 -47.361 11.023 1.00 2.14 O ATOM 525 NE2 GLN A 32 6.943 -46.026 11.692 1.00 71.41 N ATOM 0 H GLN A 32 7.451 -42.395 9.263 1.00 4.43 H new ATOM 0 HA GLN A 32 10.083 -43.524 8.545 1.00 5.01 H new ATOM 0 HB2 GLN A 32 7.313 -44.749 8.943 1.00 24.51 H new ATOM 0 HB3 GLN A 32 8.717 -45.661 8.425 1.00 24.51 H new ATOM 0 HG2 GLN A 32 9.867 -45.168 10.543 1.00 24.31 H new ATOM 0 HG3 GLN A 32 8.539 -44.146 11.058 1.00 24.31 H new ATOM 0 HE21 GLN A 32 6.555 -45.083 11.728 1.00 71.41 H new ATOM 0 HE22 GLN A 32 6.440 -46.802 12.123 1.00 71.41 H new ATOM 534 N GLY A 33 8.289 -42.335 6.373 1.00 3.15 N ATOM 535 CA GLY A 33 7.992 -42.225 4.944 1.00 22.42 C ATOM 536 C GLY A 33 7.898 -40.786 4.433 1.00 42.35 C ATOM 537 O GLY A 33 8.834 -40.279 3.807 1.00 61.33 O ATOM 0 H GLY A 33 8.134 -41.483 6.912 1.00 3.15 H new ATOM 0 HA2 GLY A 33 8.765 -42.749 4.382 1.00 22.42 H new ATOM 0 HA3 GLY A 33 7.050 -42.734 4.740 1.00 22.42 H new ATOM 541 N ALA A 34 6.768 -40.128 4.694 1.00 43.05 N ATOM 542 CA ALA A 34 6.509 -38.769 4.188 1.00 41.21 C ATOM 543 C ALA A 34 7.556 -37.742 4.658 1.00 22.02 C ATOM 544 O ALA A 34 7.824 -36.755 3.971 1.00 41.00 O ATOM 545 CB ALA A 34 5.110 -38.322 4.599 1.00 35.43 C ATOM 0 H ALA A 34 6.009 -40.513 5.256 1.00 43.05 H new ATOM 0 HA ALA A 34 6.582 -38.813 3.101 1.00 41.21 H new ATOM 0 HB1 ALA A 34 4.924 -37.316 4.222 1.00 35.43 H new ATOM 0 HB2 ALA A 34 4.372 -39.008 4.183 1.00 35.43 H new ATOM 0 HB3 ALA A 34 5.033 -38.322 5.686 1.00 35.43 H new ATOM 551 N TRP A 35 8.140 -37.966 5.829 1.00 53.24 N ATOM 552 CA TRP A 35 9.128 -37.033 6.388 1.00 3.45 C ATOM 553 C TRP A 35 10.467 -37.085 5.629 1.00 71.04 C ATOM 554 O TRP A 35 11.194 -38.078 5.675 1.00 25.34 O ATOM 555 CB TRP A 35 9.341 -37.316 7.883 1.00 65.45 C ATOM 556 CG TRP A 35 8.434 -36.536 8.805 1.00 71.30 C ATOM 557 CD1 TRP A 35 8.762 -36.075 10.047 1.00 41.22 C ATOM 558 CD2 TRP A 35 7.074 -36.108 8.573 1.00 73.31 C ATOM 559 NE1 TRP A 35 7.700 -35.413 10.606 1.00 73.30 N ATOM 560 CE2 TRP A 35 6.658 -35.416 9.726 1.00 32.42 C ATOM 561 CE3 TRP A 35 6.165 -36.242 7.515 1.00 31.02 C ATOM 562 CZ2 TRP A 35 5.387 -34.864 9.852 1.00 61.42 C ATOM 563 CZ3 TRP A 35 4.903 -35.689 7.643 1.00 62.35 C ATOM 564 CH2 TRP A 35 4.525 -35.009 8.804 1.00 52.14 C ATOM 0 H TRP A 35 7.952 -38.781 6.413 1.00 53.24 H new ATOM 0 HA TRP A 35 8.731 -36.025 6.270 1.00 3.45 H new ATOM 0 HB2 TRP A 35 9.192 -38.381 8.063 1.00 65.45 H new ATOM 0 HB3 TRP A 35 10.377 -37.092 8.138 1.00 65.45 H new ATOM 0 HD1 TRP A 35 9.722 -36.212 10.522 1.00 41.22 H new ATOM 0 HE1 TRP A 35 7.690 -34.986 11.532 1.00 73.30 H new ATOM 0 HE3 TRP A 35 6.445 -36.768 6.614 1.00 31.02 H new ATOM 0 HZ2 TRP A 35 5.093 -34.339 10.749 1.00 61.42 H new ATOM 0 HZ3 TRP A 35 4.197 -35.785 6.831 1.00 62.35 H new ATOM 0 HH2 TRP A 35 3.532 -34.590 8.873 1.00 52.14 H new ATOM 575 N ILE A 36 10.774 -35.991 4.934 1.00 53.01 N ATOM 576 CA ILE A 36 12.017 -35.853 4.167 1.00 30.41 C ATOM 577 C ILE A 36 12.991 -34.911 4.889 1.00 0.23 C ATOM 578 O ILE A 36 12.592 -33.836 5.348 1.00 73.02 O ATOM 579 CB ILE A 36 11.724 -35.277 2.758 1.00 63.04 C ATOM 580 CG1 ILE A 36 10.682 -36.140 2.026 1.00 21.20 C ATOM 581 CG2 ILE A 36 13.010 -35.167 1.934 1.00 11.34 C ATOM 582 CD1 ILE A 36 10.232 -35.552 0.704 1.00 54.12 C ATOM 0 H ILE A 36 10.168 -35.172 4.885 1.00 53.01 H new ATOM 0 HA ILE A 36 12.463 -36.843 4.074 1.00 30.41 H new ATOM 0 HB ILE A 36 11.315 -34.274 2.880 1.00 63.04 H new ATOM 0 HG12 ILE A 36 11.101 -37.131 1.850 1.00 21.20 H new ATOM 0 HG13 ILE A 36 9.813 -36.271 2.671 1.00 21.20 H new ATOM 0 HG21 ILE A 36 12.778 -34.760 0.950 1.00 11.34 H new ATOM 0 HG22 ILE A 36 13.713 -34.507 2.443 1.00 11.34 H new ATOM 0 HG23 ILE A 36 13.456 -36.155 1.822 1.00 11.34 H new ATOM 0 HD11 ILE A 36 9.498 -36.213 0.243 1.00 54.12 H new ATOM 0 HD12 ILE A 36 9.783 -34.574 0.875 1.00 54.12 H new ATOM 0 HD13 ILE A 36 11.091 -35.446 0.042 1.00 54.12 H new ATOM 594 N GLU A 37 14.262 -35.298 4.984 1.00 45.30 N ATOM 595 CA GLU A 37 15.273 -34.454 5.639 1.00 74.01 C ATOM 596 C GLU A 37 15.458 -33.124 4.886 1.00 4.43 C ATOM 597 O GLU A 37 15.553 -33.098 3.658 1.00 54.44 O ATOM 598 CB GLU A 37 16.614 -35.199 5.762 1.00 44.54 C ATOM 599 CG GLU A 37 17.191 -35.695 4.440 1.00 63.51 C ATOM 600 CD GLU A 37 18.505 -36.442 4.624 1.00 12.01 C ATOM 601 OE1 GLU A 37 18.469 -37.655 4.922 1.00 62.23 O ATOM 602 OE2 GLU A 37 19.581 -35.822 4.476 1.00 42.53 O ATOM 0 H GLU A 37 14.619 -36.182 4.621 1.00 45.30 H new ATOM 0 HA GLU A 37 14.916 -34.226 6.643 1.00 74.01 H new ATOM 0 HB2 GLU A 37 17.340 -34.537 6.234 1.00 44.54 H new ATOM 0 HB3 GLU A 37 16.481 -36.052 6.427 1.00 44.54 H new ATOM 0 HG2 GLU A 37 16.468 -36.351 3.955 1.00 63.51 H new ATOM 0 HG3 GLU A 37 17.349 -34.846 3.774 1.00 63.51 H new ATOM 609 N GLY A 38 15.469 -32.019 5.627 1.00 52.33 N ATOM 610 CA GLY A 38 15.600 -30.693 5.022 1.00 73.10 C ATOM 611 C GLY A 38 14.274 -30.108 4.533 1.00 41.22 C ATOM 612 O GLY A 38 14.078 -28.892 4.556 1.00 13.54 O ATOM 0 H GLY A 38 15.389 -32.013 6.644 1.00 52.33 H new ATOM 0 HA2 GLY A 38 16.041 -30.013 5.751 1.00 73.10 H new ATOM 0 HA3 GLY A 38 16.292 -30.753 4.182 1.00 73.10 H new ATOM 616 N VAL A 39 13.360 -30.972 4.089 1.00 33.31 N ATOM 617 CA VAL A 39 12.078 -30.526 3.519 1.00 55.13 C ATOM 618 C VAL A 39 10.930 -30.557 4.548 1.00 35.33 C ATOM 619 O VAL A 39 10.090 -29.660 4.584 1.00 15.43 O ATOM 620 CB VAL A 39 11.690 -31.393 2.296 1.00 62.13 C ATOM 621 CG1 VAL A 39 10.402 -30.890 1.651 1.00 12.11 C ATOM 622 CG2 VAL A 39 12.832 -31.431 1.278 1.00 21.22 C ATOM 0 H VAL A 39 13.479 -31.985 4.111 1.00 33.31 H new ATOM 0 HA VAL A 39 12.224 -29.491 3.209 1.00 55.13 H new ATOM 0 HB VAL A 39 11.511 -32.409 2.646 1.00 62.13 H new ATOM 0 HG11 VAL A 39 10.154 -31.518 0.795 1.00 12.11 H new ATOM 0 HG12 VAL A 39 9.591 -30.931 2.378 1.00 12.11 H new ATOM 0 HG13 VAL A 39 10.539 -29.861 1.318 1.00 12.11 H new ATOM 0 HG21 VAL A 39 12.540 -32.045 0.426 1.00 21.22 H new ATOM 0 HG22 VAL A 39 13.050 -30.419 0.938 1.00 21.22 H new ATOM 0 HG23 VAL A 39 13.721 -31.856 1.744 1.00 21.22 H new ATOM 632 N HIS A 40 10.882 -31.605 5.370 1.00 63.51 N ATOM 633 CA HIS A 40 9.843 -31.728 6.405 1.00 60.20 C ATOM 634 C HIS A 40 10.422 -31.610 7.827 1.00 54.32 C ATOM 635 O HIS A 40 9.669 -31.583 8.803 1.00 52.54 O ATOM 636 CB HIS A 40 9.073 -33.052 6.251 1.00 60.31 C ATOM 637 CG HIS A 40 8.057 -33.040 5.145 1.00 33.13 C ATOM 638 ND1 HIS A 40 7.804 -34.123 4.326 1.00 22.21 N ATOM 639 CD2 HIS A 40 7.202 -32.071 4.746 1.00 41.42 C ATOM 640 CE1 HIS A 40 6.844 -33.816 3.477 1.00 21.15 C ATOM 641 NE2 HIS A 40 6.461 -32.580 3.709 1.00 54.20 N ATOM 0 H HIS A 40 11.545 -32.380 5.344 1.00 63.51 H new ATOM 0 HA HIS A 40 9.152 -30.897 6.262 1.00 60.20 H new ATOM 0 HB2 HIS A 40 9.786 -33.856 6.068 1.00 60.31 H new ATOM 0 HB3 HIS A 40 8.570 -33.280 7.191 1.00 60.31 H new ATOM 0 HD1 HIS A 40 8.285 -35.021 4.371 1.00 22.21 H new ATOM 0 HD2 HIS A 40 7.118 -31.080 5.166 1.00 41.42 H new ATOM 0 HE1 HIS A 40 6.440 -34.470 2.718 1.00 21.15 H new ATOM 650 N PHE A 41 11.750 -31.531 7.938 1.00 15.43 N ATOM 651 CA PHE A 41 12.417 -31.384 9.243 1.00 52.45 C ATOM 652 C PHE A 41 13.918 -31.093 9.082 1.00 70.21 C ATOM 653 O PHE A 41 14.481 -31.289 8.007 1.00 23.13 O ATOM 654 CB PHE A 41 12.226 -32.648 10.101 1.00 73.44 C ATOM 655 CG PHE A 41 12.843 -33.905 9.527 1.00 51.21 C ATOM 656 CD1 PHE A 41 14.175 -34.221 9.771 1.00 10.22 C ATOM 657 CD2 PHE A 41 12.089 -34.776 8.756 1.00 42.51 C ATOM 658 CE1 PHE A 41 14.739 -35.372 9.255 1.00 2.24 C ATOM 659 CE2 PHE A 41 12.649 -35.929 8.239 1.00 43.13 C ATOM 660 CZ PHE A 41 13.974 -36.227 8.489 1.00 62.51 C ATOM 0 H PHE A 41 12.388 -31.566 7.143 1.00 15.43 H new ATOM 0 HA PHE A 41 11.954 -30.535 9.746 1.00 52.45 H new ATOM 0 HB2 PHE A 41 12.654 -32.468 11.087 1.00 73.44 H new ATOM 0 HB3 PHE A 41 11.158 -32.816 10.242 1.00 73.44 H new ATOM 0 HD1 PHE A 41 14.778 -33.557 10.373 1.00 10.22 H new ATOM 0 HD2 PHE A 41 11.052 -34.551 8.557 1.00 42.51 H new ATOM 0 HE1 PHE A 41 15.776 -35.602 9.451 1.00 2.24 H new ATOM 0 HE2 PHE A 41 12.050 -36.598 7.639 1.00 43.13 H new ATOM 0 HZ PHE A 41 14.411 -37.128 8.085 1.00 62.51 H new ATOM 670 N LYS A 42 14.561 -30.631 10.157 1.00 72.21 N ATOM 671 CA LYS A 42 16.022 -30.460 10.169 1.00 52.51 C ATOM 672 C LYS A 42 16.592 -30.663 11.582 1.00 32.32 C ATOM 673 O LYS A 42 15.863 -30.595 12.577 1.00 51.53 O ATOM 674 CB LYS A 42 16.440 -29.081 9.618 1.00 22.02 C ATOM 675 CG LYS A 42 16.347 -27.924 10.618 1.00 64.32 C ATOM 676 CD LYS A 42 16.951 -26.642 10.042 1.00 40.31 C ATOM 677 CE LYS A 42 17.079 -25.534 11.084 1.00 11.44 C ATOM 678 NZ LYS A 42 15.759 -24.995 11.510 1.00 45.43 N ATOM 0 H LYS A 42 14.099 -30.369 11.028 1.00 72.21 H new ATOM 0 HA LYS A 42 16.438 -31.225 9.513 1.00 52.51 H new ATOM 0 HB2 LYS A 42 17.467 -29.147 9.258 1.00 22.02 H new ATOM 0 HB3 LYS A 42 15.815 -28.847 8.757 1.00 22.02 H new ATOM 0 HG2 LYS A 42 15.303 -27.751 10.881 1.00 64.32 H new ATOM 0 HG3 LYS A 42 16.867 -28.192 11.538 1.00 64.32 H new ATOM 0 HD2 LYS A 42 17.935 -26.862 9.628 1.00 40.31 H new ATOM 0 HD3 LYS A 42 16.330 -26.291 9.218 1.00 40.31 H new ATOM 0 HE2 LYS A 42 17.609 -25.919 11.955 1.00 11.44 H new ATOM 0 HE3 LYS A 42 17.684 -24.724 10.676 1.00 11.44 H new ATOM 0 HZ1 LYS A 42 15.859 -23.991 11.762 1.00 45.43 H new ATOM 0 HZ2 LYS A 42 15.077 -25.090 10.730 1.00 45.43 H new ATOM 0 HZ3 LYS A 42 15.417 -25.527 12.336 1.00 45.43 H new ATOM 692 N ARG A 43 17.898 -30.905 11.662 1.00 52.21 N ATOM 693 CA ARG A 43 18.562 -31.178 12.943 1.00 75.32 C ATOM 694 C ARG A 43 19.013 -29.879 13.631 1.00 63.13 C ATOM 695 O ARG A 43 19.827 -29.129 13.092 1.00 51.40 O ATOM 696 CB ARG A 43 19.777 -32.095 12.723 1.00 0.11 C ATOM 697 CG ARG A 43 19.479 -33.354 11.905 1.00 73.20 C ATOM 698 CD ARG A 43 18.377 -34.211 12.528 1.00 14.04 C ATOM 699 NE ARG A 43 18.669 -34.574 13.917 1.00 10.35 N ATOM 700 CZ ARG A 43 19.618 -35.397 14.289 1.00 22.11 C ATOM 701 NH1 ARG A 43 20.412 -35.941 13.419 1.00 0.32 N ATOM 702 NH2 ARG A 43 19.771 -35.671 15.544 1.00 33.21 N ATOM 0 H ARG A 43 18.522 -30.919 10.856 1.00 52.21 H new ATOM 0 HA ARG A 43 17.841 -31.675 13.592 1.00 75.32 H new ATOM 0 HB2 ARG A 43 20.560 -31.527 12.220 1.00 0.11 H new ATOM 0 HB3 ARG A 43 20.173 -32.393 13.694 1.00 0.11 H new ATOM 0 HG2 ARG A 43 19.184 -33.066 10.896 1.00 73.20 H new ATOM 0 HG3 ARG A 43 20.389 -33.948 11.814 1.00 73.20 H new ATOM 0 HD2 ARG A 43 17.432 -33.668 12.488 1.00 14.04 H new ATOM 0 HD3 ARG A 43 18.249 -35.118 11.938 1.00 14.04 H new ATOM 0 HE ARG A 43 18.092 -34.156 14.647 1.00 10.35 H new ATOM 0 HH11 ARG A 43 20.303 -35.730 12.427 1.00 0.32 H new ATOM 0 HH12 ARG A 43 21.145 -36.579 13.727 1.00 0.32 H new ATOM 0 HH21 ARG A 43 19.155 -35.247 16.237 1.00 33.21 H new ATOM 0 HH22 ARG A 43 20.508 -36.311 15.840 1.00 33.21 H new ATOM 716 N VAL A 44 18.476 -29.613 14.818 1.00 1.02 N ATOM 717 CA VAL A 44 18.871 -28.433 15.597 1.00 11.43 C ATOM 718 C VAL A 44 19.981 -28.779 16.605 1.00 61.25 C ATOM 719 O VAL A 44 19.901 -29.786 17.309 1.00 32.15 O ATOM 720 CB VAL A 44 17.655 -27.831 16.342 1.00 1.40 C ATOM 721 CG1 VAL A 44 18.066 -26.641 17.207 1.00 72.21 C ATOM 722 CG2 VAL A 44 16.572 -27.427 15.345 1.00 4.54 C ATOM 0 H VAL A 44 17.767 -30.194 15.265 1.00 1.02 H new ATOM 0 HA VAL A 44 19.257 -27.693 14.896 1.00 11.43 H new ATOM 0 HB VAL A 44 17.252 -28.596 17.006 1.00 1.40 H new ATOM 0 HG11 VAL A 44 17.189 -26.241 17.716 1.00 72.21 H new ATOM 0 HG12 VAL A 44 18.799 -26.964 17.946 1.00 72.21 H new ATOM 0 HG13 VAL A 44 18.503 -25.867 16.577 1.00 72.21 H new ATOM 0 HG21 VAL A 44 15.722 -27.005 15.882 1.00 4.54 H new ATOM 0 HG22 VAL A 44 16.971 -26.683 14.656 1.00 4.54 H new ATOM 0 HG23 VAL A 44 16.248 -28.304 14.785 1.00 4.54 H new ATOM 876 N THR A 55 18.182 -32.196 18.444 1.00 33.22 N ATOM 877 CA THR A 55 16.713 -32.147 18.454 1.00 33.15 C ATOM 878 C THR A 55 16.146 -31.828 17.063 1.00 60.54 C ATOM 879 O THR A 55 16.398 -30.761 16.502 1.00 71.10 O ATOM 880 CB THR A 55 16.191 -31.098 19.470 1.00 32.44 C ATOM 881 OG1 THR A 55 16.754 -31.345 20.768 1.00 73.13 O ATOM 882 CG2 THR A 55 14.667 -31.130 19.569 1.00 73.50 C ATOM 0 HA THR A 55 16.371 -33.138 18.754 1.00 33.15 H new ATOM 0 HB THR A 55 16.496 -30.114 19.115 1.00 32.44 H new ATOM 0 HG1 THR A 55 17.597 -31.835 20.671 1.00 73.13 H new ATOM 0 HG21 THR A 55 14.333 -30.383 20.289 1.00 73.50 H new ATOM 0 HG22 THR A 55 14.234 -30.911 18.593 1.00 73.50 H new ATOM 0 HG23 THR A 55 14.344 -32.119 19.896 1.00 73.50 H new ATOM 890 N THR A 56 15.385 -32.766 16.511 1.00 2.11 N ATOM 891 CA THR A 56 14.823 -32.623 15.166 1.00 24.34 C ATOM 892 C THR A 56 13.518 -31.810 15.173 1.00 62.35 C ATOM 893 O THR A 56 12.472 -32.300 15.598 1.00 44.30 O ATOM 894 CB THR A 56 14.553 -34.009 14.530 1.00 14.51 C ATOM 895 OG1 THR A 56 15.765 -34.781 14.491 1.00 51.23 O ATOM 896 CG2 THR A 56 13.999 -33.864 13.120 1.00 33.11 C ATOM 0 H THR A 56 15.140 -33.641 16.975 1.00 2.11 H new ATOM 0 HA THR A 56 15.563 -32.086 14.573 1.00 24.34 H new ATOM 0 HB THR A 56 13.813 -34.522 15.145 1.00 14.51 H new ATOM 0 HG1 THR A 56 15.583 -35.656 14.089 1.00 51.23 H new ATOM 0 HG21 THR A 56 13.818 -34.852 12.697 1.00 33.11 H new ATOM 0 HG22 THR A 56 13.063 -33.306 13.152 1.00 33.11 H new ATOM 0 HG23 THR A 56 14.718 -33.329 12.500 1.00 33.11 H new ATOM 904 N TRP A 57 13.593 -30.561 14.712 1.00 65.10 N ATOM 905 CA TRP A 57 12.400 -29.706 14.569 1.00 51.41 C ATOM 906 C TRP A 57 11.770 -29.891 13.180 1.00 14.31 C ATOM 907 O TRP A 57 12.466 -30.222 12.216 1.00 3.23 O ATOM 908 CB TRP A 57 12.760 -28.229 14.800 1.00 41.23 C ATOM 909 CG TRP A 57 13.115 -27.902 16.225 1.00 71.43 C ATOM 910 CD1 TRP A 57 13.816 -28.680 17.098 1.00 51.44 C ATOM 911 CD2 TRP A 57 12.797 -26.699 16.934 1.00 4.33 C ATOM 912 NE1 TRP A 57 13.946 -28.039 18.304 1.00 2.44 N ATOM 913 CE2 TRP A 57 13.330 -26.822 18.230 1.00 71.23 C ATOM 914 CE3 TRP A 57 12.110 -25.534 16.600 1.00 53.02 C ATOM 915 CZ2 TRP A 57 13.200 -25.822 19.189 1.00 12.31 C ATOM 916 CZ3 TRP A 57 11.981 -24.540 17.550 1.00 31.51 C ATOM 917 CH2 TRP A 57 12.524 -24.690 18.833 1.00 20.31 C ATOM 0 H TRP A 57 14.465 -30.113 14.429 1.00 65.10 H new ATOM 0 HA TRP A 57 11.673 -30.005 15.324 1.00 51.41 H new ATOM 0 HB2 TRP A 57 13.600 -27.965 14.157 1.00 41.23 H new ATOM 0 HB3 TRP A 57 11.918 -27.608 14.494 1.00 41.23 H new ATOM 0 HD1 TRP A 57 14.212 -29.659 16.873 1.00 51.44 H new ATOM 0 HE1 TRP A 57 14.425 -28.411 19.124 1.00 2.44 H new ATOM 0 HE3 TRP A 57 11.685 -25.410 15.615 1.00 53.02 H new ATOM 0 HZ2 TRP A 57 13.618 -25.937 20.178 1.00 12.31 H new ATOM 0 HZ3 TRP A 57 11.453 -23.632 17.300 1.00 31.51 H new ATOM 0 HH2 TRP A 57 12.406 -23.895 19.554 1.00 20.31 H new ATOM 928 N TYR A 58 10.461 -29.666 13.074 1.00 21.14 N ATOM 929 CA TYR A 58 9.718 -29.997 11.848 1.00 23.02 C ATOM 930 C TYR A 58 9.182 -28.753 11.115 1.00 64.15 C ATOM 931 O TYR A 58 8.867 -27.731 11.729 1.00 15.34 O ATOM 932 CB TYR A 58 8.564 -30.944 12.196 1.00 22.43 C ATOM 933 CG TYR A 58 9.024 -32.216 12.889 1.00 4.24 C ATOM 934 CD1 TYR A 58 9.536 -33.278 12.157 1.00 33.40 C ATOM 935 CD2 TYR A 58 8.964 -32.344 14.274 1.00 53.22 C ATOM 936 CE1 TYR A 58 9.971 -34.431 12.780 1.00 25.24 C ATOM 937 CE2 TYR A 58 9.400 -33.495 14.903 1.00 43.43 C ATOM 938 CZ TYR A 58 9.901 -34.536 14.150 1.00 24.55 C ATOM 939 OH TYR A 58 10.336 -35.686 14.771 1.00 72.31 O ATOM 0 H TYR A 58 9.891 -29.258 13.815 1.00 21.14 H new ATOM 0 HA TYR A 58 10.415 -30.482 11.165 1.00 23.02 H new ATOM 0 HB2 TYR A 58 7.856 -30.423 12.840 1.00 22.43 H new ATOM 0 HB3 TYR A 58 8.030 -31.208 11.283 1.00 22.43 H new ATOM 0 HD1 TYR A 58 9.595 -33.201 11.081 1.00 33.40 H new ATOM 0 HD2 TYR A 58 8.571 -31.531 14.866 1.00 53.22 H new ATOM 0 HE1 TYR A 58 10.365 -35.248 12.194 1.00 25.24 H new ATOM 0 HE2 TYR A 58 9.349 -33.579 15.979 1.00 43.43 H new ATOM 0 HH TYR A 58 10.219 -35.599 15.740 1.00 72.31 H new ATOM 949 N ASN A 59 9.080 -28.862 9.788 1.00 21.24 N ATOM 950 CA ASN A 59 8.537 -27.787 8.946 1.00 70.43 C ATOM 951 C ASN A 59 7.004 -27.726 9.020 1.00 31.23 C ATOM 952 O ASN A 59 6.312 -28.420 8.269 1.00 40.34 O ATOM 953 CB ASN A 59 8.961 -27.987 7.482 1.00 35.03 C ATOM 954 CG ASN A 59 10.447 -27.794 7.268 1.00 15.03 C ATOM 955 OD1 ASN A 59 11.234 -28.718 7.413 1.00 33.13 O ATOM 956 ND2 ASN A 59 10.843 -26.589 6.909 1.00 44.04 N ATOM 0 H ASN A 59 9.368 -29.691 9.268 1.00 21.24 H new ATOM 0 HA ASN A 59 8.940 -26.848 9.325 1.00 70.43 H new ATOM 0 HB2 ASN A 59 8.680 -28.990 7.161 1.00 35.03 H new ATOM 0 HB3 ASN A 59 8.414 -27.286 6.851 1.00 35.03 H new ATOM 0 HD21 ASN A 59 11.833 -26.406 6.743 1.00 44.04 H new ATOM 0 HD22 ASN A 59 10.160 -25.840 6.797 1.00 44.04 H new ATOM 963 N TYR A 60 6.473 -26.890 9.915 1.00 3.32 N ATOM 964 CA TYR A 60 5.020 -26.712 10.024 1.00 30.22 C ATOM 965 C TYR A 60 4.373 -26.306 8.680 1.00 23.33 C ATOM 966 O TYR A 60 3.352 -26.877 8.301 1.00 51.33 O ATOM 967 CB TYR A 60 4.658 -25.690 11.111 1.00 43.05 C ATOM 968 CG TYR A 60 3.166 -25.425 11.198 1.00 74.23 C ATOM 969 CD1 TYR A 60 2.314 -26.332 11.825 1.00 71.31 C ATOM 970 CD2 TYR A 60 2.606 -24.280 10.637 1.00 34.35 C ATOM 971 CE1 TYR A 60 0.953 -26.104 11.890 1.00 51.23 C ATOM 972 CE2 TYR A 60 1.247 -24.045 10.703 1.00 44.54 C ATOM 973 CZ TYR A 60 0.425 -24.959 11.328 1.00 5.41 C ATOM 974 OH TYR A 60 -0.930 -24.730 11.389 1.00 61.52 O ATOM 0 H TYR A 60 7.019 -26.330 10.569 1.00 3.32 H new ATOM 0 HA TYR A 60 4.616 -27.684 10.308 1.00 30.22 H new ATOM 0 HB2 TYR A 60 5.015 -26.051 12.076 1.00 43.05 H new ATOM 0 HB3 TYR A 60 5.177 -24.753 10.909 1.00 43.05 H new ATOM 0 HD1 TYR A 60 2.724 -27.228 12.267 1.00 71.31 H new ATOM 0 HD2 TYR A 60 3.245 -23.564 10.142 1.00 34.35 H new ATOM 0 HE1 TYR A 60 0.306 -26.818 12.378 1.00 51.23 H new ATOM 0 HE2 TYR A 60 0.830 -23.149 10.267 1.00 44.54 H new ATOM 0 HH TYR A 60 -1.138 -23.880 10.947 1.00 61.52 H new ATOM 984 N PRO A 61 4.933 -25.313 7.938 1.00 31.24 N ATOM 985 CA PRO A 61 4.390 -24.903 6.625 1.00 35.44 C ATOM 986 C PRO A 61 4.128 -26.091 5.678 1.00 24.21 C ATOM 987 O PRO A 61 3.050 -26.204 5.096 1.00 63.34 O ATOM 988 CB PRO A 61 5.479 -23.973 6.048 1.00 15.30 C ATOM 989 CG PRO A 61 6.659 -24.119 6.957 1.00 62.53 C ATOM 990 CD PRO A 61 6.103 -24.494 8.299 1.00 62.32 C ATOM 0 HA PRO A 61 3.417 -24.423 6.733 1.00 35.44 H new ATOM 0 HB2 PRO A 61 5.734 -24.255 5.027 1.00 15.30 H new ATOM 0 HB3 PRO A 61 5.135 -22.939 6.016 1.00 15.30 H new ATOM 0 HG2 PRO A 61 7.342 -24.885 6.590 1.00 62.53 H new ATOM 0 HG3 PRO A 61 7.224 -23.189 7.015 1.00 62.53 H new ATOM 0 HD2 PRO A 61 6.823 -25.055 8.895 1.00 62.32 H new ATOM 0 HD3 PRO A 61 5.821 -23.617 8.882 1.00 62.32 H new ATOM 998 N GLU A 62 5.112 -26.983 5.539 1.00 2.11 N ATOM 999 CA GLU A 62 4.981 -28.151 4.652 1.00 10.11 C ATOM 1000 C GLU A 62 4.056 -29.237 5.236 1.00 4.22 C ATOM 1001 O GLU A 62 3.352 -29.918 4.492 1.00 3.43 O ATOM 1002 CB GLU A 62 6.364 -28.744 4.328 1.00 64.53 C ATOM 1003 CG GLU A 62 7.019 -28.153 3.079 1.00 53.52 C ATOM 1004 CD GLU A 62 6.204 -28.406 1.810 1.00 62.30 C ATOM 1005 OE1 GLU A 62 6.006 -29.587 1.444 1.00 20.51 O ATOM 1006 OE2 GLU A 62 5.764 -27.432 1.163 1.00 12.12 O ATOM 0 H GLU A 62 6.006 -26.923 6.026 1.00 2.11 H new ATOM 0 HA GLU A 62 4.518 -27.797 3.731 1.00 10.11 H new ATOM 0 HB2 GLU A 62 7.024 -28.586 5.181 1.00 64.53 H new ATOM 0 HB3 GLU A 62 6.264 -29.822 4.198 1.00 64.53 H new ATOM 0 HG2 GLU A 62 7.148 -27.079 3.215 1.00 53.52 H new ATOM 0 HG3 GLU A 62 8.014 -28.581 2.958 1.00 53.52 H new ATOM 1013 N ILE A 63 4.064 -29.410 6.558 1.00 2.50 N ATOM 1014 CA ILE A 63 3.160 -30.373 7.206 1.00 45.44 C ATOM 1015 C ILE A 63 1.696 -29.910 7.079 1.00 22.15 C ATOM 1016 O ILE A 63 0.801 -30.702 6.783 1.00 44.04 O ATOM 1017 CB ILE A 63 3.521 -30.581 8.702 1.00 22.24 C ATOM 1018 CG1 ILE A 63 4.952 -31.134 8.830 1.00 3.15 C ATOM 1019 CG2 ILE A 63 2.518 -31.517 9.380 1.00 63.14 C ATOM 1020 CD1 ILE A 63 5.430 -31.291 10.261 1.00 13.42 C ATOM 0 H ILE A 63 4.677 -28.905 7.198 1.00 2.50 H new ATOM 0 HA ILE A 63 3.280 -31.328 6.694 1.00 45.44 H new ATOM 0 HB ILE A 63 3.473 -29.616 9.206 1.00 22.24 H new ATOM 0 HG12 ILE A 63 5.001 -32.103 8.334 1.00 3.15 H new ATOM 0 HG13 ILE A 63 5.635 -30.470 8.301 1.00 3.15 H new ATOM 0 HG21 ILE A 63 2.792 -31.647 10.427 1.00 63.14 H new ATOM 0 HG22 ILE A 63 1.519 -31.086 9.317 1.00 63.14 H new ATOM 0 HG23 ILE A 63 2.528 -32.485 8.879 1.00 63.14 H new ATOM 0 HD11 ILE A 63 6.446 -31.685 10.264 1.00 13.42 H new ATOM 0 HD12 ILE A 63 5.416 -30.321 10.758 1.00 13.42 H new ATOM 0 HD13 ILE A 63 4.772 -31.980 10.791 1.00 13.42 H new ATOM 1032 N ASN A 64 1.472 -28.617 7.296 1.00 51.20 N ATOM 1033 CA ASN A 64 0.157 -28.000 7.089 1.00 54.24 C ATOM 1034 C ASN A 64 -0.254 -28.100 5.611 1.00 53.13 C ATOM 1035 O ASN A 64 -1.404 -28.394 5.290 1.00 54.24 O ATOM 1036 CB ASN A 64 0.200 -26.533 7.538 1.00 52.40 C ATOM 1037 CG ASN A 64 -1.142 -25.840 7.404 1.00 55.42 C ATOM 1038 OD1 ASN A 64 -1.458 -25.257 6.373 1.00 3.22 O ATOM 1039 ND2 ASN A 64 -1.938 -25.887 8.451 1.00 10.22 N ATOM 0 H ASN A 64 2.189 -27.967 7.618 1.00 51.20 H new ATOM 0 HA ASN A 64 -0.585 -28.531 7.685 1.00 54.24 H new ATOM 0 HB2 ASN A 64 0.527 -26.485 8.577 1.00 52.40 H new ATOM 0 HB3 ASN A 64 0.942 -25.998 6.945 1.00 52.40 H new ATOM 0 HD21 ASN A 64 -2.849 -25.429 8.420 1.00 10.22 H new ATOM 0 HD22 ASN A 64 -1.644 -26.381 9.294 1.00 10.22 H new ATOM 1046 N LYS A 65 0.708 -27.857 4.725 1.00 40.32 N ATOM 1047 CA LYS A 65 0.521 -28.022 3.278 1.00 71.32 C ATOM 1048 C LYS A 65 0.046 -29.449 2.939 1.00 65.13 C ATOM 1049 O LYS A 65 -0.904 -29.639 2.175 1.00 65.20 O ATOM 1050 CB LYS A 65 1.852 -27.679 2.573 1.00 40.30 C ATOM 1051 CG LYS A 65 1.916 -27.951 1.067 1.00 44.55 C ATOM 1052 CD LYS A 65 2.355 -29.383 0.748 1.00 10.45 C ATOM 1053 CE LYS A 65 2.970 -29.488 -0.643 1.00 62.11 C ATOM 1054 NZ LYS A 65 4.193 -28.650 -0.759 1.00 65.04 N ATOM 0 H LYS A 65 1.642 -27.540 4.986 1.00 40.32 H new ATOM 0 HA LYS A 65 -0.258 -27.346 2.924 1.00 71.32 H new ATOM 0 HB2 LYS A 65 2.064 -26.623 2.738 1.00 40.30 H new ATOM 0 HB3 LYS A 65 2.650 -28.243 3.056 1.00 40.30 H new ATOM 0 HG2 LYS A 65 0.936 -27.768 0.626 1.00 44.55 H new ATOM 0 HG3 LYS A 65 2.610 -27.250 0.604 1.00 44.55 H new ATOM 0 HD2 LYS A 65 3.079 -29.716 1.492 1.00 10.45 H new ATOM 0 HD3 LYS A 65 1.496 -30.051 0.818 1.00 10.45 H new ATOM 0 HE2 LYS A 65 3.218 -30.528 -0.856 1.00 62.11 H new ATOM 0 HE3 LYS A 65 2.240 -29.175 -1.390 1.00 62.11 H new ATOM 0 HZ1 LYS A 65 4.035 -27.901 -1.463 1.00 65.04 H new ATOM 0 HZ2 LYS A 65 4.408 -28.219 0.163 1.00 65.04 H new ATOM 0 HZ3 LYS A 65 4.993 -29.243 -1.059 1.00 65.04 H new ATOM 1068 N PHE A 66 0.710 -30.442 3.528 1.00 43.32 N ATOM 1069 CA PHE A 66 0.328 -31.852 3.364 1.00 40.13 C ATOM 1070 C PHE A 66 -1.116 -32.099 3.841 1.00 64.44 C ATOM 1071 O PHE A 66 -1.941 -32.663 3.116 1.00 5.15 O ATOM 1072 CB PHE A 66 1.309 -32.745 4.144 1.00 65.22 C ATOM 1073 CG PHE A 66 0.990 -34.220 4.091 1.00 31.34 C ATOM 1074 CD1 PHE A 66 1.361 -34.986 2.994 1.00 31.20 C ATOM 1075 CD2 PHE A 66 0.329 -34.842 5.143 1.00 15.53 C ATOM 1076 CE1 PHE A 66 1.077 -36.337 2.946 1.00 23.52 C ATOM 1077 CE2 PHE A 66 0.046 -36.194 5.100 1.00 40.41 C ATOM 1078 CZ PHE A 66 0.420 -36.942 4.000 1.00 52.25 C ATOM 0 H PHE A 66 1.522 -30.299 4.128 1.00 43.32 H new ATOM 0 HA PHE A 66 0.374 -32.102 2.304 1.00 40.13 H new ATOM 0 HB2 PHE A 66 2.314 -32.589 3.751 1.00 65.22 H new ATOM 0 HB3 PHE A 66 1.321 -32.426 5.186 1.00 65.22 H new ATOM 0 HD1 PHE A 66 1.878 -34.520 2.168 1.00 31.20 H new ATOM 0 HD2 PHE A 66 0.033 -34.262 6.005 1.00 15.53 H new ATOM 0 HE1 PHE A 66 1.368 -36.920 2.085 1.00 23.52 H new ATOM 0 HE2 PHE A 66 -0.467 -36.665 5.925 1.00 40.41 H new ATOM 0 HZ PHE A 66 0.199 -37.999 3.964 1.00 52.25 H new ATOM 1088 N ILE A 67 -1.415 -31.667 5.064 1.00 51.11 N ATOM 1089 CA ILE A 67 -2.756 -31.822 5.640 1.00 24.13 C ATOM 1090 C ILE A 67 -3.810 -31.022 4.849 1.00 21.32 C ATOM 1091 O ILE A 67 -4.973 -31.412 4.778 1.00 1.44 O ATOM 1092 CB ILE A 67 -2.774 -31.378 7.126 1.00 63.33 C ATOM 1093 CG1 ILE A 67 -1.745 -32.187 7.938 1.00 73.11 C ATOM 1094 CG2 ILE A 67 -4.172 -31.533 7.726 1.00 42.10 C ATOM 1095 CD1 ILE A 67 -1.633 -31.758 9.387 1.00 42.23 C ATOM 0 H ILE A 67 -0.746 -31.205 5.680 1.00 51.11 H new ATOM 0 HA ILE A 67 -3.010 -32.880 5.579 1.00 24.13 H new ATOM 0 HB ILE A 67 -2.503 -30.323 7.171 1.00 63.33 H new ATOM 0 HG12 ILE A 67 -2.016 -33.242 7.901 1.00 73.11 H new ATOM 0 HG13 ILE A 67 -0.768 -32.093 7.465 1.00 73.11 H new ATOM 0 HG21 ILE A 67 -4.158 -31.215 8.769 1.00 42.10 H new ATOM 0 HG22 ILE A 67 -4.878 -30.917 7.168 1.00 42.10 H new ATOM 0 HG23 ILE A 67 -4.478 -32.577 7.669 1.00 42.10 H new ATOM 0 HD11 ILE A 67 -0.889 -32.374 9.892 1.00 42.23 H new ATOM 0 HD12 ILE A 67 -1.331 -30.712 9.434 1.00 42.23 H new ATOM 0 HD13 ILE A 67 -2.599 -31.879 9.878 1.00 42.23 H new