USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 464 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= -0.262 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.777 USER MOD Single : A 12 HIS : no HD1:sc= -0.804 X(o=-0.8,f=-0.49) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -131:sc= 0 (180deg=-0.103) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.157 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0858 X(o=-0.086,f=0.0086) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.385 K(o=-0.38,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -37:sc= 0.975 USER MOD Single : A 53 ASN : amide:sc= -0.76 K(o=-0.76,f=-0.18) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N PHE A 5 1.609 4.915 -11.081 1.00 53.32 N ATOM 60 CA PHE A 5 2.173 5.135 -12.408 1.00 22.52 C ATOM 61 C PHE A 5 1.958 6.576 -12.859 1.00 1.30 C ATOM 62 O PHE A 5 1.318 7.367 -12.165 1.00 42.22 O ATOM 63 CB PHE A 5 1.544 4.173 -13.418 1.00 62.12 C ATOM 64 CG PHE A 5 2.170 2.808 -13.416 1.00 65.34 C ATOM 65 CD1 PHE A 5 2.108 2.004 -12.289 1.00 64.05 C ATOM 66 CD2 PHE A 5 2.822 2.328 -14.542 1.00 13.34 C ATOM 67 CE1 PHE A 5 2.683 0.747 -12.285 1.00 23.04 C ATOM 68 CE2 PHE A 5 3.398 1.072 -14.543 1.00 10.13 C ATOM 69 CZ PHE A 5 3.330 0.281 -13.412 1.00 71.05 C ATOM 0 HA PHE A 5 3.245 4.946 -12.355 1.00 22.52 H new ATOM 0 HB2 PHE A 5 0.480 4.076 -13.202 1.00 62.12 H new ATOM 0 HB3 PHE A 5 1.628 4.601 -14.417 1.00 62.12 H new ATOM 0 HD1 PHE A 5 1.605 2.364 -11.404 1.00 64.05 H new ATOM 0 HD2 PHE A 5 2.880 2.943 -15.428 1.00 13.34 H new ATOM 0 HE1 PHE A 5 2.626 0.130 -11.401 1.00 23.04 H new ATOM 0 HE2 PHE A 5 3.901 0.709 -15.427 1.00 10.13 H new ATOM 0 HZ PHE A 5 3.782 -0.700 -13.410 1.00 71.05 H new ATOM 79 N CYS A 6 2.498 6.911 -14.026 1.00 52.41 N ATOM 80 CA CYS A 6 2.367 8.257 -14.571 1.00 42.13 C ATOM 81 C CYS A 6 1.938 8.212 -16.035 1.00 64.21 C ATOM 82 O CYS A 6 2.004 7.165 -16.681 1.00 1.55 O ATOM 83 CB CYS A 6 3.690 9.014 -14.439 1.00 42.12 C ATOM 84 SG CYS A 6 4.144 9.425 -12.723 1.00 73.14 S ATOM 0 H CYS A 6 3.031 6.269 -14.613 1.00 52.41 H new ATOM 0 HA CYS A 6 1.598 8.779 -14.001 1.00 42.13 H new ATOM 0 HB2 CYS A 6 4.485 8.413 -14.880 1.00 42.12 H new ATOM 0 HB3 CYS A 6 3.628 9.936 -15.018 1.00 42.12 H new ATOM 89 N VAL A 7 1.499 9.355 -16.553 1.00 63.51 N ATOM 90 CA VAL A 7 1.061 9.446 -17.941 1.00 11.54 C ATOM 91 C VAL A 7 1.418 10.802 -18.541 1.00 33.40 C ATOM 92 O VAL A 7 1.475 11.809 -17.836 1.00 4.15 O ATOM 93 CB VAL A 7 -0.458 9.226 -18.065 1.00 14.10 C ATOM 94 CG1 VAL A 7 -0.867 9.135 -19.527 1.00 61.33 C ATOM 95 CG2 VAL A 7 -0.879 7.976 -17.306 1.00 41.43 C ATOM 0 H VAL A 7 1.437 10.230 -16.033 1.00 63.51 H new ATOM 0 HA VAL A 7 1.580 8.660 -18.490 1.00 11.54 H new ATOM 0 HB VAL A 7 -0.969 10.081 -17.623 1.00 14.10 H new ATOM 0 HG11 VAL A 7 -1.944 8.979 -19.595 1.00 61.33 H new ATOM 0 HG12 VAL A 7 -0.601 10.061 -20.037 1.00 61.33 H new ATOM 0 HG13 VAL A 7 -0.349 8.299 -19.998 1.00 61.33 H new ATOM 0 HG21 VAL A 7 -1.955 7.836 -17.404 1.00 41.43 H new ATOM 0 HG22 VAL A 7 -0.361 7.109 -17.717 1.00 41.43 H new ATOM 0 HG23 VAL A 7 -0.622 8.086 -16.252 1.00 41.43 H new ATOM 105 N TYR A 8 1.656 10.819 -19.848 1.00 12.24 N ATOM 106 CA TYR A 8 2.009 12.051 -20.544 1.00 20.24 C ATOM 107 C TYR A 8 0.986 12.377 -21.627 1.00 54.00 C ATOM 108 O TYR A 8 0.495 11.487 -22.322 1.00 62.11 O ATOM 109 CB TYR A 8 3.403 11.930 -21.163 1.00 34.23 C ATOM 110 CG TYR A 8 4.304 13.105 -20.859 1.00 40.13 C ATOM 111 CD1 TYR A 8 4.512 13.527 -19.552 1.00 51.41 C ATOM 112 CD2 TYR A 8 4.949 13.793 -21.880 1.00 72.22 C ATOM 113 CE1 TYR A 8 5.334 14.601 -19.271 1.00 1.34 C ATOM 114 CE2 TYR A 8 5.774 14.867 -21.608 1.00 31.21 C ATOM 115 CZ TYR A 8 5.963 15.268 -20.302 1.00 31.53 C ATOM 116 OH TYR A 8 6.784 16.337 -20.025 1.00 72.23 O ATOM 0 H TYR A 8 1.611 9.994 -20.446 1.00 12.24 H new ATOM 0 HA TYR A 8 2.011 12.862 -19.816 1.00 20.24 H new ATOM 0 HB2 TYR A 8 3.875 11.017 -20.799 1.00 34.23 H new ATOM 0 HB3 TYR A 8 3.304 11.829 -22.244 1.00 34.23 H new ATOM 0 HD1 TYR A 8 4.023 13.007 -18.742 1.00 51.41 H new ATOM 0 HD2 TYR A 8 4.803 13.482 -22.904 1.00 72.22 H new ATOM 0 HE1 TYR A 8 5.484 14.917 -18.249 1.00 1.34 H new ATOM 0 HE2 TYR A 8 6.268 15.390 -22.414 1.00 31.21 H new ATOM 0 HH TYR A 8 7.150 16.694 -20.861 1.00 72.23 H new ATOM 126 N TYR A 9 0.669 13.660 -21.765 1.00 34.51 N ATOM 127 CA TYR A 9 -0.297 14.105 -22.762 1.00 15.21 C ATOM 128 C TYR A 9 0.244 15.292 -23.553 1.00 11.23 C ATOM 129 O TYR A 9 1.337 15.788 -23.279 1.00 11.40 O ATOM 130 CB TYR A 9 -1.617 14.486 -22.089 1.00 75.42 C ATOM 131 CG TYR A 9 -2.426 13.295 -21.625 1.00 61.04 C ATOM 132 CD1 TYR A 9 -3.253 12.607 -22.505 1.00 62.11 C ATOM 133 CD2 TYR A 9 -2.364 12.859 -20.308 1.00 22.41 C ATOM 134 CE1 TYR A 9 -3.994 11.519 -22.086 1.00 22.02 C ATOM 135 CE2 TYR A 9 -3.100 11.771 -19.880 1.00 71.12 C ATOM 136 CZ TYR A 9 -3.914 11.105 -20.773 1.00 23.53 C ATOM 137 OH TYR A 9 -4.650 10.021 -20.350 1.00 41.42 O ATOM 0 H TYR A 9 1.067 14.410 -21.199 1.00 34.51 H new ATOM 0 HA TYR A 9 -0.473 13.281 -23.453 1.00 15.21 H new ATOM 0 HB2 TYR A 9 -1.407 15.128 -21.233 1.00 75.42 H new ATOM 0 HB3 TYR A 9 -2.215 15.071 -22.787 1.00 75.42 H new ATOM 0 HD1 TYR A 9 -3.317 12.928 -23.534 1.00 62.11 H new ATOM 0 HD2 TYR A 9 -1.729 13.380 -19.606 1.00 22.41 H new ATOM 0 HE1 TYR A 9 -4.632 10.996 -22.783 1.00 22.02 H new ATOM 0 HE2 TYR A 9 -3.039 11.444 -18.853 1.00 71.12 H new ATOM 0 HH TYR A 9 -4.479 9.860 -19.399 1.00 41.42 H new ATOM 147 N ASP A 10 -0.530 15.743 -24.534 1.00 65.23 N ATOM 148 CA ASP A 10 -0.130 16.873 -25.365 1.00 72.10 C ATOM 149 C ASP A 10 -1.168 17.989 -25.300 1.00 33.21 C ATOM 150 O ASP A 10 -2.349 17.739 -25.062 1.00 31.11 O ATOM 151 CB ASP A 10 0.064 16.424 -26.814 1.00 43.32 C ATOM 152 CG ASP A 10 1.142 17.218 -27.526 1.00 54.54 C ATOM 153 OD1 ASP A 10 1.267 18.429 -27.248 1.00 42.23 O ATOM 154 OD2 ASP A 10 1.859 16.630 -28.363 1.00 35.54 O ATOM 0 H ASP A 10 -1.438 15.344 -24.773 1.00 65.23 H new ATOM 0 HA ASP A 10 0.815 17.258 -24.982 1.00 72.10 H new ATOM 0 HB2 ASP A 10 0.325 15.366 -26.832 1.00 43.32 H new ATOM 0 HB3 ASP A 10 -0.877 16.530 -27.353 1.00 43.32 H new ATOM 159 N GLY A 11 -0.718 19.222 -25.512 1.00 75.02 N ATOM 160 CA GLY A 11 -1.621 20.358 -25.472 1.00 62.10 C ATOM 161 C GLY A 11 -2.834 20.166 -26.361 1.00 1.45 C ATOM 162 O GLY A 11 -2.746 20.302 -27.581 1.00 51.23 O ATOM 0 H GLY A 11 0.255 19.455 -25.711 1.00 75.02 H new ATOM 0 HA2 GLY A 11 -1.949 20.522 -24.445 1.00 62.10 H new ATOM 0 HA3 GLY A 11 -1.085 21.255 -25.782 1.00 62.10 H new ATOM 166 N HIS A 12 -3.970 19.848 -25.748 1.00 1.20 N ATOM 167 CA HIS A 12 -5.206 19.636 -26.492 1.00 54.31 C ATOM 168 C HIS A 12 -6.392 19.487 -25.544 1.00 33.11 C ATOM 169 O HIS A 12 -6.350 18.698 -24.599 1.00 64.10 O ATOM 170 CB HIS A 12 -5.087 18.396 -27.378 1.00 32.32 C ATOM 171 CG HIS A 12 -4.830 18.711 -28.819 1.00 51.32 C ATOM 172 ND1 HIS A 12 -4.000 17.955 -29.619 1.00 23.33 N ATOM 173 CD2 HIS A 12 -5.301 19.708 -29.605 1.00 21.21 C ATOM 174 CE1 HIS A 12 -3.969 18.473 -30.833 1.00 54.14 C ATOM 175 NE2 HIS A 12 -4.751 19.538 -30.852 1.00 31.43 N ATOM 0 H HIS A 12 -4.060 19.732 -24.739 1.00 1.20 H new ATOM 0 HA HIS A 12 -5.375 20.509 -27.123 1.00 54.31 H new ATOM 0 HB2 HIS A 12 -4.279 17.768 -27.003 1.00 32.32 H new ATOM 0 HB3 HIS A 12 -6.006 17.815 -27.300 1.00 32.32 H new ATOM 0 HD2 HIS A 12 -5.982 20.491 -29.307 1.00 21.21 H new ATOM 0 HE1 HIS A 12 -3.401 18.091 -31.669 1.00 54.14 H new ATOM 0 HE2 HIS A 12 -4.919 20.136 -31.661 1.00 31.43 H new ATOM 183 N LEU A 13 -7.449 20.250 -25.802 1.00 31.54 N ATOM 184 CA LEU A 13 -8.647 20.203 -24.971 1.00 32.34 C ATOM 185 C LEU A 13 -9.124 18.766 -24.783 1.00 23.14 C ATOM 186 O LEU A 13 -8.768 17.864 -25.541 1.00 24.43 O ATOM 187 CB LEU A 13 -9.760 21.043 -25.599 1.00 14.25 C ATOM 188 CG LEU A 13 -10.005 22.413 -24.966 1.00 12.53 C ATOM 189 CD1 LEU A 13 -8.723 23.232 -24.953 1.00 35.14 C ATOM 190 CD2 LEU A 13 -11.106 23.155 -25.709 1.00 53.32 C ATOM 0 H LEU A 13 -7.501 20.908 -26.580 1.00 31.54 H new ATOM 0 HA LEU A 13 -8.397 20.614 -23.993 1.00 32.34 H new ATOM 0 HB2 LEU A 13 -9.527 21.189 -26.654 1.00 14.25 H new ATOM 0 HB3 LEU A 13 -10.688 20.473 -25.554 1.00 14.25 H new ATOM 0 HG LEU A 13 -10.327 22.263 -23.935 1.00 12.53 H new ATOM 0 HD11 LEU A 13 -8.917 24.204 -24.499 1.00 35.14 H new ATOM 0 HD12 LEU A 13 -7.962 22.707 -24.376 1.00 35.14 H new ATOM 0 HD13 LEU A 13 -8.371 23.373 -25.975 1.00 35.14 H new ATOM 0 HD21 LEU A 13 -11.267 24.128 -25.244 1.00 53.32 H new ATOM 0 HD22 LEU A 13 -10.813 23.294 -26.750 1.00 53.32 H new ATOM 0 HD23 LEU A 13 -12.028 22.576 -25.666 1.00 53.32 H new ATOM 202 N PRO A 14 -9.950 18.547 -23.749 1.00 74.23 N ATOM 203 CA PRO A 14 -10.496 17.222 -23.439 1.00 40.11 C ATOM 204 C PRO A 14 -11.511 16.756 -24.477 1.00 31.30 C ATOM 205 O PRO A 14 -11.948 15.605 -24.459 1.00 2.34 O ATOM 206 CB PRO A 14 -11.174 17.427 -22.082 1.00 70.51 C ATOM 207 CG PRO A 14 -11.507 18.878 -22.040 1.00 75.11 C ATOM 208 CD PRO A 14 -10.417 19.576 -22.805 1.00 23.34 C ATOM 0 HA PRO A 14 -9.723 16.454 -23.433 1.00 40.11 H new ATOM 0 HB2 PRO A 14 -12.070 16.813 -21.990 1.00 70.51 H new ATOM 0 HB3 PRO A 14 -10.511 17.149 -21.262 1.00 70.51 H new ATOM 0 HG2 PRO A 14 -12.482 19.068 -22.489 1.00 75.11 H new ATOM 0 HG3 PRO A 14 -11.554 19.238 -21.012 1.00 75.11 H new ATOM 0 HD2 PRO A 14 -10.792 20.458 -23.325 1.00 23.34 H new ATOM 0 HD3 PRO A 14 -9.615 19.911 -22.147 1.00 23.34 H new ATOM 216 N ALA A 15 -11.882 17.656 -25.381 1.00 53.12 N ATOM 217 CA ALA A 15 -12.844 17.336 -26.428 1.00 72.54 C ATOM 218 C ALA A 15 -12.219 16.439 -27.492 1.00 54.10 C ATOM 219 O ALA A 15 -12.874 15.545 -28.029 1.00 32.33 O ATOM 220 CB ALA A 15 -13.382 18.611 -27.060 1.00 3.22 C ATOM 0 H ALA A 15 -11.531 18.613 -25.409 1.00 53.12 H new ATOM 0 HA ALA A 15 -13.672 16.793 -25.972 1.00 72.54 H new ATOM 0 HB1 ALA A 15 -14.099 18.356 -27.840 1.00 3.22 H new ATOM 0 HB2 ALA A 15 -13.874 19.215 -26.298 1.00 3.22 H new ATOM 0 HB3 ALA A 15 -12.558 19.177 -27.495 1.00 3.22 H new ATOM 226 N THR A 16 -10.948 16.684 -27.794 1.00 10.31 N ATOM 227 CA THR A 16 -10.235 15.901 -28.795 1.00 33.31 C ATOM 228 C THR A 16 -8.817 15.582 -28.336 1.00 31.21 C ATOM 229 O THR A 16 -7.917 15.395 -29.155 1.00 21.33 O ATOM 230 CB THR A 16 -10.172 16.639 -30.145 1.00 62.24 C ATOM 231 OG1 THR A 16 -11.312 17.493 -30.291 1.00 3.22 O ATOM 232 CG2 THR A 16 -10.122 15.650 -31.301 1.00 11.24 C ATOM 0 H THR A 16 -10.391 17.419 -27.359 1.00 10.31 H new ATOM 0 HA THR A 16 -10.790 14.972 -28.923 1.00 33.31 H new ATOM 0 HB THR A 16 -9.263 17.241 -30.162 1.00 62.24 H new ATOM 0 HG1 THR A 16 -11.263 17.960 -31.151 1.00 3.22 H new ATOM 0 HG21 THR A 16 -10.078 16.195 -32.244 1.00 11.24 H new ATOM 0 HG22 THR A 16 -9.237 15.021 -31.204 1.00 11.24 H new ATOM 0 HG23 THR A 16 -11.015 15.025 -31.284 1.00 11.24 H new ATOM 240 N ARG A 17 -8.625 15.521 -27.022 1.00 61.43 N ATOM 241 CA ARG A 17 -7.315 15.225 -26.455 1.00 31.52 C ATOM 242 C ARG A 17 -6.731 13.955 -27.068 1.00 41.44 C ATOM 243 O ARG A 17 -7.450 13.154 -27.664 1.00 71.55 O ATOM 244 CB ARG A 17 -7.417 15.069 -24.936 1.00 42.43 C ATOM 245 CG ARG A 17 -8.079 13.773 -24.500 1.00 15.15 C ATOM 246 CD ARG A 17 -8.613 13.871 -23.079 1.00 1.22 C ATOM 247 NE ARG A 17 -10.026 13.510 -22.998 1.00 43.25 N ATOM 248 CZ ARG A 17 -10.771 13.695 -21.914 1.00 61.44 C ATOM 249 NH1 ARG A 17 -10.241 14.233 -20.825 1.00 45.52 N ATOM 250 NH2 ARG A 17 -12.050 13.340 -21.919 1.00 4.34 N ATOM 0 H ARG A 17 -9.360 15.673 -26.331 1.00 61.43 H new ATOM 0 HA ARG A 17 -6.651 16.058 -26.685 1.00 31.52 H new ATOM 0 HB2 ARG A 17 -6.417 15.118 -24.506 1.00 42.43 H new ATOM 0 HB3 ARG A 17 -7.980 15.909 -24.530 1.00 42.43 H new ATOM 0 HG2 ARG A 17 -8.896 13.533 -25.181 1.00 15.15 H new ATOM 0 HG3 ARG A 17 -7.360 12.956 -24.564 1.00 15.15 H new ATOM 0 HD2 ARG A 17 -8.034 13.216 -22.428 1.00 1.22 H new ATOM 0 HD3 ARG A 17 -8.477 14.888 -22.710 1.00 1.22 H new ATOM 0 HE ARG A 17 -10.465 13.093 -23.819 1.00 43.25 H new ATOM 0 HH11 ARG A 17 -9.258 14.506 -20.818 1.00 45.52 H new ATOM 0 HH12 ARG A 17 -10.816 14.374 -19.994 1.00 45.52 H new ATOM 0 HH21 ARG A 17 -12.461 12.925 -22.755 1.00 4.34 H new ATOM 0 HH22 ARG A 17 -12.622 13.482 -21.087 1.00 4.34 H new ATOM 264 N VAL A 18 -5.422 13.780 -26.919 1.00 2.23 N ATOM 265 CA VAL A 18 -4.741 12.609 -27.457 1.00 63.13 C ATOM 266 C VAL A 18 -3.618 12.153 -26.533 1.00 24.22 C ATOM 267 O VAL A 18 -2.705 12.919 -26.221 1.00 50.33 O ATOM 268 CB VAL A 18 -4.158 12.892 -28.855 1.00 23.24 C ATOM 269 CG1 VAL A 18 -3.600 11.617 -29.469 1.00 24.03 C ATOM 270 CG2 VAL A 18 -5.215 13.510 -29.757 1.00 63.13 C ATOM 0 H VAL A 18 -4.812 14.435 -26.430 1.00 2.23 H new ATOM 0 HA VAL A 18 -5.486 11.818 -27.535 1.00 63.13 H new ATOM 0 HB VAL A 18 -3.340 13.605 -28.751 1.00 23.24 H new ATOM 0 HG11 VAL A 18 -3.193 11.836 -30.456 1.00 24.03 H new ATOM 0 HG12 VAL A 18 -2.810 11.221 -28.830 1.00 24.03 H new ATOM 0 HG13 VAL A 18 -4.397 10.879 -29.561 1.00 24.03 H new ATOM 0 HG21 VAL A 18 -4.786 13.703 -30.740 1.00 63.13 H new ATOM 0 HG22 VAL A 18 -6.055 12.823 -29.856 1.00 63.13 H new ATOM 0 HG23 VAL A 18 -5.562 14.447 -29.322 1.00 63.13 H new ATOM 280 N LEU A 19 -3.690 10.900 -26.097 1.00 64.12 N ATOM 281 CA LEU A 19 -2.678 10.340 -25.208 1.00 30.23 C ATOM 282 C LEU A 19 -1.398 10.018 -25.973 1.00 34.42 C ATOM 283 O LEU A 19 -1.438 9.397 -27.036 1.00 44.12 O ATOM 284 CB LEU A 19 -3.211 9.077 -24.528 1.00 0.30 C ATOM 285 CG LEU A 19 -2.263 8.395 -23.542 1.00 24.14 C ATOM 286 CD1 LEU A 19 -3.010 7.976 -22.285 1.00 52.12 C ATOM 287 CD2 LEU A 19 -1.592 7.193 -24.191 1.00 11.11 C ATOM 0 H LEU A 19 -4.438 10.253 -26.345 1.00 64.12 H new ATOM 0 HA LEU A 19 -2.446 11.085 -24.447 1.00 30.23 H new ATOM 0 HB2 LEU A 19 -4.130 9.333 -24.000 1.00 0.30 H new ATOM 0 HB3 LEU A 19 -3.478 8.357 -25.302 1.00 0.30 H new ATOM 0 HG LEU A 19 -1.490 9.109 -23.259 1.00 24.14 H new ATOM 0 HD11 LEU A 19 -2.319 7.492 -21.595 1.00 52.12 H new ATOM 0 HD12 LEU A 19 -3.442 8.856 -21.808 1.00 52.12 H new ATOM 0 HD13 LEU A 19 -3.805 7.279 -22.550 1.00 52.12 H new ATOM 0 HD21 LEU A 19 -0.921 6.720 -23.474 1.00 11.11 H new ATOM 0 HD22 LEU A 19 -2.352 6.477 -24.504 1.00 11.11 H new ATOM 0 HD23 LEU A 19 -1.022 7.520 -25.061 1.00 11.11 H new ATOM 299 N LEU A 20 -0.265 10.441 -25.424 1.00 50.04 N ATOM 300 CA LEU A 20 1.028 10.196 -26.054 1.00 31.31 C ATOM 301 C LEU A 20 1.508 8.775 -25.776 1.00 3.15 C ATOM 302 O LEU A 20 1.670 7.973 -26.695 1.00 34.34 O ATOM 303 CB LEU A 20 2.062 11.204 -25.550 1.00 61.10 C ATOM 304 CG LEU A 20 1.696 12.680 -25.714 1.00 64.54 C ATOM 305 CD1 LEU A 20 2.504 13.540 -24.755 1.00 32.34 C ATOM 306 CD2 LEU A 20 1.920 13.127 -27.152 1.00 14.45 C ATOM 0 H LEU A 20 -0.215 10.955 -24.544 1.00 50.04 H new ATOM 0 HA LEU A 20 0.909 10.315 -27.131 1.00 31.31 H new ATOM 0 HB2 LEU A 20 2.243 11.011 -24.493 1.00 61.10 H new ATOM 0 HB3 LEU A 20 3.001 11.023 -26.073 1.00 61.10 H new ATOM 0 HG LEU A 20 0.639 12.802 -25.476 1.00 64.54 H new ATOM 0 HD11 LEU A 20 2.230 14.587 -24.886 1.00 32.34 H new ATOM 0 HD12 LEU A 20 2.295 13.236 -23.729 1.00 32.34 H new ATOM 0 HD13 LEU A 20 3.567 13.415 -24.961 1.00 32.34 H new ATOM 0 HD21 LEU A 20 1.655 14.180 -27.251 1.00 14.45 H new ATOM 0 HD22 LEU A 20 2.969 12.991 -27.416 1.00 14.45 H new ATOM 0 HD23 LEU A 20 1.297 12.531 -27.819 1.00 14.45 H new ATOM 318 N MET A 21 1.733 8.471 -24.501 1.00 62.05 N ATOM 319 CA MET A 21 2.192 7.145 -24.102 1.00 13.50 C ATOM 320 C MET A 21 2.351 7.059 -22.587 1.00 71.14 C ATOM 321 O MET A 21 2.576 8.068 -21.919 1.00 21.14 O ATOM 322 CB MET A 21 3.520 6.814 -24.786 1.00 15.22 C ATOM 323 CG MET A 21 3.467 5.556 -25.637 1.00 43.03 C ATOM 324 SD MET A 21 5.106 4.928 -26.050 1.00 4.02 S ATOM 325 CE MET A 21 5.572 4.155 -24.503 1.00 32.52 C ATOM 0 H MET A 21 1.605 9.124 -23.728 1.00 62.05 H new ATOM 0 HA MET A 21 1.441 6.419 -24.413 1.00 13.50 H new ATOM 0 HB2 MET A 21 3.816 7.655 -25.413 1.00 15.22 H new ATOM 0 HB3 MET A 21 4.292 6.696 -24.025 1.00 15.22 H new ATOM 0 HG2 MET A 21 2.910 4.785 -25.105 1.00 43.03 H new ATOM 0 HG3 MET A 21 2.920 5.767 -26.556 1.00 43.03 H new ATOM 0 HE1 MET A 21 6.572 4.482 -24.220 1.00 32.52 H new ATOM 0 HE2 MET A 21 4.863 4.440 -23.726 1.00 32.52 H new ATOM 0 HE3 MET A 21 5.564 3.071 -24.621 1.00 32.52 H new ATOM 335 N TYR A 22 2.232 5.849 -22.053 1.00 22.31 N ATOM 336 CA TYR A 22 2.360 5.631 -20.617 1.00 2.52 C ATOM 337 C TYR A 22 3.820 5.424 -20.225 1.00 61.13 C ATOM 338 O TYR A 22 4.607 4.865 -20.990 1.00 12.14 O ATOM 339 CB TYR A 22 1.528 4.422 -20.187 1.00 3.15 C ATOM 340 CG TYR A 22 0.045 4.706 -20.104 1.00 64.32 C ATOM 341 CD1 TYR A 22 -0.720 4.845 -21.256 1.00 30.05 C ATOM 342 CD2 TYR A 22 -0.590 4.835 -18.876 1.00 11.35 C ATOM 343 CE1 TYR A 22 -2.075 5.105 -21.185 1.00 71.33 C ATOM 344 CE2 TYR A 22 -1.945 5.093 -18.796 1.00 2.52 C ATOM 345 CZ TYR A 22 -2.683 5.228 -19.953 1.00 61.43 C ATOM 346 OH TYR A 22 -4.032 5.486 -19.878 1.00 53.30 O ATOM 0 H TYR A 22 2.047 5.004 -22.593 1.00 22.31 H new ATOM 0 HA TYR A 22 1.988 6.519 -20.106 1.00 2.52 H new ATOM 0 HB2 TYR A 22 1.695 3.608 -20.892 1.00 3.15 H new ATOM 0 HB3 TYR A 22 1.879 4.078 -19.214 1.00 3.15 H new ATOM 0 HD1 TYR A 22 -0.248 4.748 -22.222 1.00 30.05 H new ATOM 0 HD2 TYR A 22 -0.015 4.732 -17.968 1.00 11.35 H new ATOM 0 HE1 TYR A 22 -2.655 5.211 -22.090 1.00 71.33 H new ATOM 0 HE2 TYR A 22 -2.424 5.188 -17.833 1.00 2.52 H new ATOM 0 HH TYR A 22 -4.303 5.542 -18.938 1.00 53.30 H new ATOM 356 N VAL A 23 4.175 5.878 -19.027 1.00 51.14 N ATOM 357 CA VAL A 23 5.539 5.742 -18.531 1.00 62.45 C ATOM 358 C VAL A 23 5.566 5.019 -17.189 1.00 43.32 C ATOM 359 O VAL A 23 5.093 5.544 -16.181 1.00 31.41 O ATOM 360 CB VAL A 23 6.220 7.114 -18.377 1.00 42.50 C ATOM 361 CG1 VAL A 23 7.667 6.947 -17.937 1.00 34.30 C ATOM 362 CG2 VAL A 23 6.138 7.899 -19.678 1.00 14.03 C ATOM 0 H VAL A 23 3.536 6.343 -18.382 1.00 51.14 H new ATOM 0 HA VAL A 23 6.087 5.154 -19.268 1.00 62.45 H new ATOM 0 HB VAL A 23 5.693 7.676 -17.606 1.00 42.50 H new ATOM 0 HG11 VAL A 23 8.131 7.928 -17.834 1.00 34.30 H new ATOM 0 HG12 VAL A 23 7.698 6.428 -16.979 1.00 34.30 H new ATOM 0 HG13 VAL A 23 8.209 6.366 -18.683 1.00 34.30 H new ATOM 0 HG21 VAL A 23 6.624 8.866 -19.551 1.00 14.03 H new ATOM 0 HG22 VAL A 23 6.638 7.343 -20.471 1.00 14.03 H new ATOM 0 HG23 VAL A 23 5.092 8.051 -19.946 1.00 14.03 H new ATOM 372 N ARG A 24 6.124 3.813 -17.184 1.00 32.11 N ATOM 373 CA ARG A 24 6.212 3.018 -15.965 1.00 63.52 C ATOM 374 C ARG A 24 7.305 3.553 -15.044 1.00 54.43 C ATOM 375 O ARG A 24 8.379 3.944 -15.502 1.00 11.43 O ATOM 376 CB ARG A 24 6.491 1.552 -16.306 1.00 41.51 C ATOM 377 CG ARG A 24 5.589 0.999 -17.397 1.00 20.31 C ATOM 378 CD ARG A 24 5.519 -0.520 -17.345 1.00 3.54 C ATOM 379 NE ARG A 24 5.026 -1.088 -18.596 1.00 61.21 N ATOM 380 CZ ARG A 24 3.746 -1.083 -18.952 1.00 3.51 C ATOM 381 NH1 ARG A 24 2.836 -0.540 -18.155 1.00 73.22 N ATOM 382 NH2 ARG A 24 3.375 -1.620 -20.107 1.00 41.31 N ATOM 0 H ARG A 24 6.522 3.365 -18.010 1.00 32.11 H new ATOM 0 HA ARG A 24 5.256 3.089 -15.446 1.00 63.52 H new ATOM 0 HB2 ARG A 24 7.530 1.452 -16.620 1.00 41.51 H new ATOM 0 HB3 ARG A 24 6.370 0.949 -15.406 1.00 41.51 H new ATOM 0 HG2 ARG A 24 4.587 1.415 -17.288 1.00 20.31 H new ATOM 0 HG3 ARG A 24 5.960 1.314 -18.372 1.00 20.31 H new ATOM 0 HD2 ARG A 24 6.509 -0.921 -17.130 1.00 3.54 H new ATOM 0 HD3 ARG A 24 4.867 -0.825 -16.527 1.00 3.54 H new ATOM 0 HE ARG A 24 5.701 -1.512 -19.232 1.00 61.21 H new ATOM 0 HH11 ARG A 24 3.118 -0.125 -17.267 1.00 73.22 H new ATOM 0 HH12 ARG A 24 1.854 -0.537 -18.430 1.00 73.22 H new ATOM 0 HH21 ARG A 24 4.073 -2.037 -20.723 1.00 41.31 H new ATOM 0 HH22 ARG A 24 2.392 -1.616 -20.379 1.00 41.31 H new ATOM 396 N ILE A 25 7.022 3.569 -13.746 1.00 72.31 N ATOM 397 CA ILE A 25 7.980 4.056 -12.762 1.00 21.12 C ATOM 398 C ILE A 25 9.011 2.985 -12.421 1.00 41.05 C ATOM 399 O ILE A 25 9.170 2.608 -11.261 1.00 44.22 O ATOM 400 CB ILE A 25 7.278 4.506 -11.467 1.00 52.23 C ATOM 401 CG1 ILE A 25 6.064 5.378 -11.796 1.00 62.14 C ATOM 402 CG2 ILE A 25 8.250 5.259 -10.571 1.00 61.05 C ATOM 403 CD1 ILE A 25 6.418 6.656 -12.525 1.00 34.41 C ATOM 0 H ILE A 25 6.137 3.250 -13.352 1.00 72.31 H new ATOM 0 HA ILE A 25 8.483 4.913 -13.210 1.00 21.12 H new ATOM 0 HB ILE A 25 6.933 3.621 -10.932 1.00 52.23 H new ATOM 0 HG12 ILE A 25 5.368 4.802 -12.406 1.00 62.14 H new ATOM 0 HG13 ILE A 25 5.545 5.629 -10.871 1.00 62.14 H new ATOM 0 HG21 ILE A 25 7.739 5.570 -9.660 1.00 61.05 H new ATOM 0 HG22 ILE A 25 9.086 4.609 -10.314 1.00 61.05 H new ATOM 0 HG23 ILE A 25 8.623 6.138 -11.096 1.00 61.05 H new ATOM 0 HD11 ILE A 25 5.510 7.224 -12.726 1.00 34.41 H new ATOM 0 HD12 ILE A 25 7.090 7.253 -11.908 1.00 34.41 H new ATOM 0 HD13 ILE A 25 6.910 6.413 -13.467 1.00 34.41 H new ATOM 415 N GLY A 26 9.711 2.499 -13.442 1.00 41.33 N ATOM 416 CA GLY A 26 10.720 1.478 -13.231 1.00 33.53 C ATOM 417 C GLY A 26 12.060 1.852 -13.833 1.00 14.05 C ATOM 418 O GLY A 26 13.111 1.498 -13.297 1.00 73.45 O ATOM 0 H GLY A 26 9.597 2.795 -14.412 1.00 41.33 H new ATOM 0 HA2 GLY A 26 10.841 1.307 -12.161 1.00 33.53 H new ATOM 0 HA3 GLY A 26 10.379 0.539 -13.667 1.00 33.53 H new ATOM 422 N THR A 27 12.024 2.570 -14.951 1.00 5.12 N ATOM 423 CA THR A 27 13.245 2.990 -15.628 1.00 13.51 C ATOM 424 C THR A 27 13.035 4.303 -16.375 1.00 31.41 C ATOM 425 O THR A 27 11.917 4.814 -16.451 1.00 43.35 O ATOM 426 CB THR A 27 13.733 1.920 -16.622 1.00 22.44 C ATOM 427 OG1 THR A 27 15.036 2.261 -17.108 1.00 21.41 O ATOM 428 CG2 THR A 27 12.769 1.786 -17.791 1.00 11.14 C ATOM 0 H THR A 27 11.163 2.873 -15.407 1.00 5.12 H new ATOM 0 HA THR A 27 14.002 3.130 -14.856 1.00 13.51 H new ATOM 0 HB THR A 27 13.779 0.965 -16.099 1.00 22.44 H new ATOM 0 HG1 THR A 27 15.340 1.575 -17.738 1.00 21.41 H new ATOM 0 HG21 THR A 27 13.135 1.024 -18.479 1.00 11.14 H new ATOM 0 HG22 THR A 27 11.785 1.497 -17.420 1.00 11.14 H new ATOM 0 HG23 THR A 27 12.694 2.740 -18.312 1.00 11.14 H new ATOM 436 N THR A 28 14.117 4.844 -16.926 1.00 52.02 N ATOM 437 CA THR A 28 14.051 6.097 -17.667 1.00 42.32 C ATOM 438 C THR A 28 13.944 5.844 -19.167 1.00 13.54 C ATOM 439 O THR A 28 14.777 5.152 -19.750 1.00 71.01 O ATOM 440 CB THR A 28 15.286 6.977 -17.394 1.00 33.14 C ATOM 441 OG1 THR A 28 16.483 6.227 -17.628 1.00 41.42 O ATOM 442 CG2 THR A 28 15.276 7.492 -15.962 1.00 44.54 C ATOM 0 H THR A 28 15.049 4.434 -16.873 1.00 52.02 H new ATOM 0 HA THR A 28 13.158 6.620 -17.324 1.00 42.32 H new ATOM 0 HB THR A 28 15.255 7.830 -18.071 1.00 33.14 H new ATOM 0 HG1 THR A 28 16.332 5.589 -18.357 1.00 41.42 H new ATOM 0 HG21 THR A 28 16.157 8.111 -15.792 1.00 44.54 H new ATOM 0 HG22 THR A 28 14.377 8.086 -15.795 1.00 44.54 H new ATOM 0 HG23 THR A 28 15.286 6.648 -15.272 1.00 44.54 H new ATOM 450 N ALA A 29 12.913 6.411 -19.785 1.00 73.11 N ATOM 451 CA ALA A 29 12.698 6.249 -21.218 1.00 23.23 C ATOM 452 C ALA A 29 12.401 7.588 -21.883 1.00 44.24 C ATOM 453 O ALA A 29 12.265 8.611 -21.211 1.00 41.24 O ATOM 454 CB ALA A 29 11.564 5.267 -21.474 1.00 4.11 C ATOM 0 H ALA A 29 12.214 6.987 -19.316 1.00 73.11 H new ATOM 0 HA ALA A 29 13.614 5.851 -21.655 1.00 23.23 H new ATOM 0 HB1 ALA A 29 11.415 5.156 -22.548 1.00 4.11 H new ATOM 0 HB2 ALA A 29 11.816 4.299 -21.041 1.00 4.11 H new ATOM 0 HB3 ALA A 29 10.648 5.642 -21.017 1.00 4.11 H new ATOM 460 N THR A 30 12.303 7.576 -23.209 1.00 51.12 N ATOM 461 CA THR A 30 12.024 8.790 -23.966 1.00 21.00 C ATOM 462 C THR A 30 10.673 8.703 -24.666 1.00 13.52 C ATOM 463 O THR A 30 10.251 7.627 -25.090 1.00 52.21 O ATOM 464 CB THR A 30 13.117 9.060 -25.017 1.00 3.20 C ATOM 465 OG1 THR A 30 14.400 9.128 -24.384 1.00 32.24 O ATOM 466 CG2 THR A 30 12.844 10.359 -25.760 1.00 41.03 C ATOM 0 H THR A 30 12.413 6.739 -23.781 1.00 51.12 H new ATOM 0 HA THR A 30 12.007 9.612 -23.250 1.00 21.00 H new ATOM 0 HB THR A 30 13.109 8.240 -25.735 1.00 3.20 H new ATOM 0 HG1 THR A 30 15.089 9.299 -25.059 1.00 32.24 H new ATOM 0 HG21 THR A 30 13.629 10.529 -26.497 1.00 41.03 H new ATOM 0 HG22 THR A 30 11.880 10.294 -26.265 1.00 41.03 H new ATOM 0 HG23 THR A 30 12.827 11.187 -25.051 1.00 41.03 H new ATOM 474 N ILE A 31 9.999 9.842 -24.784 1.00 13.53 N ATOM 475 CA ILE A 31 8.695 9.895 -25.434 1.00 64.52 C ATOM 476 C ILE A 31 8.777 10.622 -26.772 1.00 65.52 C ATOM 477 O ILE A 31 9.606 11.514 -26.957 1.00 73.14 O ATOM 478 CB ILE A 31 7.650 10.594 -24.546 1.00 2.53 C ATOM 479 CG1 ILE A 31 7.685 10.018 -23.129 1.00 5.33 C ATOM 480 CG2 ILE A 31 6.261 10.449 -25.148 1.00 14.42 C ATOM 481 CD1 ILE A 31 6.736 10.706 -22.173 1.00 10.11 C ATOM 0 H ILE A 31 10.334 10.741 -24.438 1.00 13.53 H new ATOM 0 HA ILE A 31 8.385 8.864 -25.602 1.00 64.52 H new ATOM 0 HB ILE A 31 7.892 11.655 -24.493 1.00 2.53 H new ATOM 0 HG12 ILE A 31 7.440 8.957 -23.171 1.00 5.33 H new ATOM 0 HG13 ILE A 31 8.700 10.095 -22.739 1.00 5.33 H new ATOM 0 HG21 ILE A 31 5.533 10.949 -24.508 1.00 14.42 H new ATOM 0 HG22 ILE A 31 6.245 10.903 -26.139 1.00 14.42 H new ATOM 0 HG23 ILE A 31 6.008 9.392 -25.229 1.00 14.42 H new ATOM 0 HD11 ILE A 31 6.814 10.246 -21.188 1.00 10.11 H new ATOM 0 HD12 ILE A 31 6.994 11.763 -22.101 1.00 10.11 H new ATOM 0 HD13 ILE A 31 5.714 10.606 -22.540 1.00 10.11 H new ATOM 493 N THR A 32 7.911 10.235 -27.704 1.00 0.24 N ATOM 494 CA THR A 32 7.884 10.850 -29.025 1.00 4.13 C ATOM 495 C THR A 32 6.539 11.513 -29.296 1.00 34.23 C ATOM 496 O THR A 32 5.497 10.857 -29.273 1.00 5.12 O ATOM 497 CB THR A 32 8.167 9.816 -30.131 1.00 52.42 C ATOM 498 OG1 THR A 32 8.755 8.640 -29.564 1.00 53.14 O ATOM 499 CG2 THR A 32 9.096 10.395 -31.188 1.00 32.11 C ATOM 0 H THR A 32 7.219 9.498 -27.568 1.00 0.24 H new ATOM 0 HA THR A 32 8.667 11.608 -29.037 1.00 4.13 H new ATOM 0 HB THR A 32 7.221 9.556 -30.605 1.00 52.42 H new ATOM 0 HG1 THR A 32 8.930 7.987 -30.274 1.00 53.14 H new ATOM 0 HG21 THR A 32 9.282 9.647 -31.959 1.00 32.11 H new ATOM 0 HG22 THR A 32 8.632 11.273 -31.638 1.00 32.11 H new ATOM 0 HG23 THR A 32 10.040 10.681 -30.725 1.00 32.11 H new ATOM 507 N ALA A 33 6.567 12.816 -29.553 1.00 3.42 N ATOM 508 CA ALA A 33 5.349 13.567 -29.831 1.00 43.10 C ATOM 509 C ALA A 33 5.636 14.766 -30.728 1.00 43.22 C ATOM 510 O ALA A 33 6.680 15.408 -30.608 1.00 23.50 O ATOM 511 CB ALA A 33 4.701 14.021 -28.532 1.00 34.13 C ATOM 0 H ALA A 33 7.420 13.374 -29.575 1.00 3.42 H new ATOM 0 HA ALA A 33 4.658 12.909 -30.358 1.00 43.10 H new ATOM 0 HB1 ALA A 33 3.793 14.581 -28.755 1.00 34.13 H new ATOM 0 HB2 ALA A 33 4.451 13.150 -27.926 1.00 34.13 H new ATOM 0 HB3 ALA A 33 5.394 14.658 -27.983 1.00 34.13 H new ATOM 517 N ARG A 34 4.704 15.063 -31.628 1.00 0.14 N ATOM 518 CA ARG A 34 4.858 16.184 -32.547 1.00 5.34 C ATOM 519 C ARG A 34 6.171 16.079 -33.317 1.00 63.12 C ATOM 520 O ARG A 34 6.801 17.088 -33.631 1.00 25.21 O ATOM 521 CB ARG A 34 4.808 17.508 -31.782 1.00 44.51 C ATOM 522 CG ARG A 34 3.415 17.885 -31.307 1.00 55.44 C ATOM 523 CD ARG A 34 3.223 19.394 -31.283 1.00 24.24 C ATOM 524 NE ARG A 34 2.271 19.842 -32.295 1.00 32.50 N ATOM 525 CZ ARG A 34 0.953 19.749 -32.156 1.00 11.11 C ATOM 526 NH1 ARG A 34 0.434 19.228 -31.052 1.00 43.34 N ATOM 527 NH2 ARG A 34 0.151 20.179 -33.122 1.00 31.32 N ATOM 0 H ARG A 34 3.834 14.542 -31.740 1.00 0.14 H new ATOM 0 HA ARG A 34 4.035 16.153 -33.260 1.00 5.34 H new ATOM 0 HB2 ARG A 34 5.472 17.445 -30.920 1.00 44.51 H new ATOM 0 HB3 ARG A 34 5.192 18.302 -32.422 1.00 44.51 H new ATOM 0 HG2 ARG A 34 2.671 17.433 -31.963 1.00 55.44 H new ATOM 0 HG3 ARG A 34 3.248 17.480 -30.309 1.00 55.44 H new ATOM 0 HD2 ARG A 34 2.873 19.699 -30.297 1.00 24.24 H new ATOM 0 HD3 ARG A 34 4.183 19.884 -31.447 1.00 24.24 H new ATOM 0 HE ARG A 34 2.638 20.249 -33.156 1.00 32.50 H new ATOM 0 HH11 ARG A 34 1.047 18.897 -30.307 1.00 43.34 H new ATOM 0 HH12 ARG A 34 -0.578 19.158 -30.948 1.00 43.34 H new ATOM 0 HH21 ARG A 34 0.546 20.581 -33.972 1.00 31.32 H new ATOM 0 HH22 ARG A 34 -0.861 20.107 -33.015 1.00 31.32 H new ATOM 541 N GLY A 35 6.578 14.849 -33.619 1.00 13.24 N ATOM 542 CA GLY A 35 7.813 14.635 -34.349 1.00 22.50 C ATOM 543 C GLY A 35 9.035 15.055 -33.557 1.00 64.11 C ATOM 544 O GLY A 35 10.104 15.283 -34.125 1.00 51.32 O ATOM 0 H GLY A 35 6.074 13.998 -33.371 1.00 13.24 H new ATOM 0 HA2 GLY A 35 7.898 13.580 -34.611 1.00 22.50 H new ATOM 0 HA3 GLY A 35 7.780 15.194 -35.284 1.00 22.50 H new ATOM 548 N HIS A 36 8.879 15.159 -32.241 1.00 40.42 N ATOM 549 CA HIS A 36 9.979 15.557 -31.370 1.00 21.33 C ATOM 550 C HIS A 36 10.225 14.506 -30.291 1.00 71.35 C ATOM 551 O HIS A 36 9.333 13.727 -29.956 1.00 53.43 O ATOM 552 CB HIS A 36 9.681 16.909 -30.722 1.00 3.14 C ATOM 553 CG HIS A 36 10.044 18.079 -31.583 1.00 43.23 C ATOM 554 ND1 HIS A 36 11.299 18.652 -31.585 1.00 74.13 N ATOM 555 CD2 HIS A 36 9.309 18.783 -32.476 1.00 4.12 C ATOM 556 CE1 HIS A 36 11.319 19.659 -32.440 1.00 61.34 C ATOM 557 NE2 HIS A 36 10.124 19.759 -32.995 1.00 3.15 N ATOM 0 H HIS A 36 8.002 14.973 -31.755 1.00 40.42 H new ATOM 0 HA HIS A 36 10.879 15.645 -31.979 1.00 21.33 H new ATOM 0 HB2 HIS A 36 8.619 16.961 -30.481 1.00 3.14 H new ATOM 0 HB3 HIS A 36 10.225 16.979 -29.780 1.00 3.14 H new ATOM 0 HD2 HIS A 36 8.274 18.609 -32.732 1.00 4.12 H new ATOM 0 HE1 HIS A 36 12.168 20.293 -32.650 1.00 61.34 H new ATOM 0 HE2 HIS A 36 9.851 20.449 -33.695 1.00 3.15 H new ATOM 565 N GLU A 37 11.440 14.490 -29.754 1.00 24.45 N ATOM 566 CA GLU A 37 11.803 13.533 -28.715 1.00 33.44 C ATOM 567 C GLU A 37 11.928 14.222 -27.359 1.00 53.32 C ATOM 568 O GLU A 37 12.635 15.221 -27.221 1.00 75.11 O ATOM 569 CB GLU A 37 13.118 12.836 -29.068 1.00 44.10 C ATOM 570 CG GLU A 37 14.298 13.787 -29.183 1.00 63.54 C ATOM 571 CD GLU A 37 15.442 13.202 -29.989 1.00 72.25 C ATOM 572 OE1 GLU A 37 16.286 12.498 -29.396 1.00 42.21 O ATOM 573 OE2 GLU A 37 15.493 13.447 -31.213 1.00 12.54 O ATOM 0 H GLU A 37 12.190 15.128 -30.021 1.00 24.45 H new ATOM 0 HA GLU A 37 11.011 12.787 -28.652 1.00 33.44 H new ATOM 0 HB2 GLU A 37 13.338 12.087 -28.307 1.00 44.10 H new ATOM 0 HB3 GLU A 37 12.996 12.305 -30.012 1.00 44.10 H new ATOM 0 HG2 GLU A 37 13.968 14.715 -29.649 1.00 63.54 H new ATOM 0 HG3 GLU A 37 14.654 14.041 -28.185 1.00 63.54 H new ATOM 580 N PHE A 38 11.236 13.683 -26.361 1.00 74.33 N ATOM 581 CA PHE A 38 11.267 14.246 -25.017 1.00 2.14 C ATOM 582 C PHE A 38 11.634 13.180 -23.989 1.00 23.14 C ATOM 583 O PHE A 38 10.859 12.260 -23.731 1.00 24.34 O ATOM 584 CB PHE A 38 9.911 14.862 -24.667 1.00 11.20 C ATOM 585 CG PHE A 38 9.370 15.767 -25.737 1.00 11.12 C ATOM 586 CD1 PHE A 38 10.181 16.718 -26.334 1.00 5.33 C ATOM 587 CD2 PHE A 38 8.050 15.666 -26.146 1.00 10.11 C ATOM 588 CE1 PHE A 38 9.686 17.553 -27.318 1.00 32.33 C ATOM 589 CE2 PHE A 38 7.549 16.497 -27.130 1.00 12.52 C ATOM 590 CZ PHE A 38 8.368 17.441 -27.717 1.00 42.31 C ATOM 0 H PHE A 38 10.646 12.856 -26.458 1.00 74.33 H new ATOM 0 HA PHE A 38 12.029 15.025 -24.995 1.00 2.14 H new ATOM 0 HB2 PHE A 38 9.194 14.062 -24.482 1.00 11.20 H new ATOM 0 HB3 PHE A 38 10.006 15.426 -23.739 1.00 11.20 H new ATOM 0 HD1 PHE A 38 11.213 16.808 -26.027 1.00 5.33 H new ATOM 0 HD2 PHE A 38 7.405 14.929 -25.690 1.00 10.11 H new ATOM 0 HE1 PHE A 38 10.328 18.292 -27.774 1.00 32.33 H new ATOM 0 HE2 PHE A 38 6.518 16.408 -27.439 1.00 12.52 H new ATOM 0 HZ PHE A 38 7.979 18.091 -28.487 1.00 42.31 H new ATOM 600 N GLU A 39 12.822 13.312 -23.406 1.00 50.02 N ATOM 601 CA GLU A 39 13.293 12.359 -22.408 1.00 15.34 C ATOM 602 C GLU A 39 12.941 12.829 -20.999 1.00 1.40 C ATOM 603 O GLU A 39 13.445 13.850 -20.529 1.00 75.13 O ATOM 604 CB GLU A 39 14.805 12.164 -22.529 1.00 43.25 C ATOM 605 CG GLU A 39 15.306 10.877 -21.896 1.00 10.11 C ATOM 606 CD GLU A 39 16.604 10.391 -22.511 1.00 20.23 C ATOM 607 OE1 GLU A 39 17.585 11.163 -22.516 1.00 12.41 O ATOM 608 OE2 GLU A 39 16.638 9.237 -22.987 1.00 24.54 O ATOM 0 H GLU A 39 13.475 14.069 -23.608 1.00 50.02 H new ATOM 0 HA GLU A 39 12.796 11.406 -22.590 1.00 15.34 H new ATOM 0 HB2 GLU A 39 15.080 12.171 -23.584 1.00 43.25 H new ATOM 0 HB3 GLU A 39 15.310 13.009 -22.062 1.00 43.25 H new ATOM 0 HG2 GLU A 39 15.451 11.035 -20.827 1.00 10.11 H new ATOM 0 HG3 GLU A 39 14.545 10.104 -22.003 1.00 10.11 H new ATOM 615 N VAL A 40 12.073 12.077 -20.330 1.00 12.51 N ATOM 616 CA VAL A 40 11.654 12.416 -18.975 1.00 75.31 C ATOM 617 C VAL A 40 12.217 11.425 -17.962 1.00 41.51 C ATOM 618 O VAL A 40 12.878 10.455 -18.330 1.00 51.03 O ATOM 619 CB VAL A 40 10.118 12.441 -18.852 1.00 64.04 C ATOM 620 CG1 VAL A 40 9.525 13.483 -19.788 1.00 51.20 C ATOM 621 CG2 VAL A 40 9.539 11.064 -19.139 1.00 33.15 C ATOM 0 H VAL A 40 11.646 11.229 -20.704 1.00 12.51 H new ATOM 0 HA VAL A 40 12.045 13.411 -18.762 1.00 75.31 H new ATOM 0 HB VAL A 40 9.856 12.714 -17.830 1.00 64.04 H new ATOM 0 HG11 VAL A 40 8.440 13.487 -19.688 1.00 51.20 H new ATOM 0 HG12 VAL A 40 9.916 14.467 -19.531 1.00 51.20 H new ATOM 0 HG13 VAL A 40 9.793 13.243 -20.817 1.00 51.20 H new ATOM 0 HG21 VAL A 40 8.453 11.100 -19.048 1.00 33.15 H new ATOM 0 HG22 VAL A 40 9.808 10.760 -20.150 1.00 33.15 H new ATOM 0 HG23 VAL A 40 9.940 10.345 -18.425 1.00 33.15 H new ATOM 631 N GLU A 41 11.950 11.678 -16.684 1.00 64.14 N ATOM 632 CA GLU A 41 12.432 10.808 -15.618 1.00 32.21 C ATOM 633 C GLU A 41 11.290 10.400 -14.691 1.00 40.12 C ATOM 634 O GLU A 41 10.507 11.239 -14.247 1.00 4.42 O ATOM 635 CB GLU A 41 13.530 11.508 -14.815 1.00 11.13 C ATOM 636 CG GLU A 41 13.994 10.719 -13.602 1.00 43.12 C ATOM 637 CD GLU A 41 15.505 10.640 -13.502 1.00 23.44 C ATOM 638 OE1 GLU A 41 16.154 11.706 -13.476 1.00 44.34 O ATOM 639 OE2 GLU A 41 16.038 9.512 -13.448 1.00 64.24 O ATOM 0 H GLU A 41 11.403 12.477 -16.363 1.00 64.14 H new ATOM 0 HA GLU A 41 12.844 9.909 -16.076 1.00 32.21 H new ATOM 0 HB2 GLU A 41 14.384 11.692 -15.467 1.00 11.13 H new ATOM 0 HB3 GLU A 41 13.164 12.481 -14.487 1.00 11.13 H new ATOM 0 HG2 GLU A 41 13.597 11.182 -12.698 1.00 43.12 H new ATOM 0 HG3 GLU A 41 13.583 9.710 -13.650 1.00 43.12 H new ATOM 646 N ALA A 42 11.202 9.105 -14.405 1.00 12.41 N ATOM 647 CA ALA A 42 10.158 8.586 -13.531 1.00 34.24 C ATOM 648 C ALA A 42 10.740 8.106 -12.205 1.00 53.23 C ATOM 649 O ALA A 42 11.569 7.197 -12.172 1.00 33.50 O ATOM 650 CB ALA A 42 9.407 7.456 -14.219 1.00 73.22 C ATOM 0 H ALA A 42 11.841 8.397 -14.766 1.00 12.41 H new ATOM 0 HA ALA A 42 9.460 9.396 -13.320 1.00 34.24 H new ATOM 0 HB1 ALA A 42 8.630 7.078 -13.554 1.00 73.22 H new ATOM 0 HB2 ALA A 42 8.950 7.828 -15.136 1.00 73.22 H new ATOM 0 HB3 ALA A 42 10.102 6.651 -14.460 1.00 73.22 H new ATOM 656 N LYS A 43 10.301 8.724 -11.114 1.00 21.13 N ATOM 657 CA LYS A 43 10.778 8.360 -9.785 1.00 14.45 C ATOM 658 C LYS A 43 9.635 7.835 -8.922 1.00 33.22 C ATOM 659 O LYS A 43 9.844 7.009 -8.033 1.00 64.22 O ATOM 660 CB LYS A 43 11.429 9.567 -9.106 1.00 44.41 C ATOM 661 CG LYS A 43 12.944 9.584 -9.220 1.00 11.54 C ATOM 662 CD LYS A 43 13.533 10.858 -8.636 1.00 35.00 C ATOM 663 CE LYS A 43 14.248 10.590 -7.321 1.00 30.52 C ATOM 664 NZ LYS A 43 15.727 10.556 -7.491 1.00 0.43 N ATOM 0 H LYS A 43 9.616 9.479 -11.124 1.00 21.13 H new ATOM 0 HA LYS A 43 11.520 7.569 -9.897 1.00 14.45 H new ATOM 0 HB2 LYS A 43 11.029 10.481 -9.546 1.00 44.41 H new ATOM 0 HB3 LYS A 43 11.152 9.574 -8.052 1.00 44.41 H new ATOM 0 HG2 LYS A 43 13.359 8.719 -8.702 1.00 11.54 H new ATOM 0 HG3 LYS A 43 13.232 9.496 -10.268 1.00 11.54 H new ATOM 0 HD2 LYS A 43 14.232 11.297 -9.348 1.00 35.00 H new ATOM 0 HD3 LYS A 43 12.739 11.588 -8.477 1.00 35.00 H new ATOM 0 HE2 LYS A 43 13.983 11.363 -6.599 1.00 30.52 H new ATOM 0 HE3 LYS A 43 13.908 9.640 -6.910 1.00 30.52 H new ATOM 0 HZ1 LYS A 43 16.178 10.371 -6.572 1.00 0.43 H new ATOM 0 HZ2 LYS A 43 15.982 9.802 -8.160 1.00 0.43 H new ATOM 0 HZ3 LYS A 43 16.055 11.471 -7.859 1.00 0.43 H new ATOM 678 N ASP A 44 8.427 8.317 -9.190 1.00 54.53 N ATOM 679 CA ASP A 44 7.250 7.894 -8.440 1.00 10.10 C ATOM 680 C ASP A 44 5.997 8.598 -8.952 1.00 30.14 C ATOM 681 O ASP A 44 6.030 9.275 -9.979 1.00 4.14 O ATOM 682 CB ASP A 44 7.439 8.181 -6.950 1.00 14.14 C ATOM 683 CG ASP A 44 7.247 6.945 -6.093 1.00 72.01 C ATOM 684 OD1 ASP A 44 8.038 5.991 -6.244 1.00 30.14 O ATOM 685 OD2 ASP A 44 6.305 6.931 -5.273 1.00 11.31 O ATOM 0 H ASP A 44 8.237 9.002 -9.922 1.00 54.53 H new ATOM 0 HA ASP A 44 7.125 6.821 -8.582 1.00 10.10 H new ATOM 0 HB2 ASP A 44 8.439 8.583 -6.784 1.00 14.14 H new ATOM 0 HB3 ASP A 44 6.731 8.949 -6.638 1.00 14.14 H new ATOM 690 N GLN A 45 4.894 8.431 -8.229 1.00 1.52 N ATOM 691 CA GLN A 45 3.630 9.050 -8.611 1.00 61.34 C ATOM 692 C GLN A 45 3.806 10.546 -8.850 1.00 21.30 C ATOM 693 O GLN A 45 3.108 11.139 -9.671 1.00 2.31 O ATOM 694 CB GLN A 45 2.575 8.814 -7.529 1.00 51.42 C ATOM 695 CG GLN A 45 2.993 9.310 -6.154 1.00 73.11 C ATOM 696 CD GLN A 45 1.859 9.265 -5.148 1.00 42.15 C ATOM 697 OE1 GLN A 45 1.366 10.303 -4.705 1.00 20.40 O ATOM 698 NE2 GLN A 45 1.439 8.060 -4.783 1.00 22.43 N ATOM 0 H GLN A 45 4.850 7.873 -7.376 1.00 1.52 H new ATOM 0 HA GLN A 45 3.295 8.590 -9.541 1.00 61.34 H new ATOM 0 HB2 GLN A 45 1.650 9.312 -7.820 1.00 51.42 H new ATOM 0 HB3 GLN A 45 2.358 7.747 -7.471 1.00 51.42 H new ATOM 0 HG2 GLN A 45 3.822 8.703 -5.789 1.00 73.11 H new ATOM 0 HG3 GLN A 45 3.360 10.333 -6.237 1.00 73.11 H new ATOM 0 HE21 GLN A 45 1.877 7.227 -5.176 1.00 22.43 H new ATOM 0 HE22 GLN A 45 0.678 7.967 -4.110 1.00 22.43 H new ATOM 707 N ASN A 46 4.743 11.149 -8.126 1.00 42.21 N ATOM 708 CA ASN A 46 5.010 12.577 -8.259 1.00 22.24 C ATOM 709 C ASN A 46 5.797 12.867 -9.533 1.00 52.21 C ATOM 710 O ASN A 46 7.020 13.007 -9.503 1.00 11.12 O ATOM 711 CB ASN A 46 5.784 13.087 -7.041 1.00 54.41 C ATOM 712 CG ASN A 46 6.282 14.508 -7.227 1.00 32.34 C ATOM 713 OD1 ASN A 46 5.689 15.294 -7.966 1.00 32.24 O ATOM 714 ND2 ASN A 46 7.377 14.843 -6.555 1.00 20.24 N ATOM 0 H ASN A 46 5.330 10.672 -7.442 1.00 42.21 H new ATOM 0 HA ASN A 46 4.054 13.097 -8.318 1.00 22.24 H new ATOM 0 HB2 ASN A 46 5.142 13.042 -6.161 1.00 54.41 H new ATOM 0 HB3 ASN A 46 6.632 12.429 -6.851 1.00 54.41 H new ATOM 0 HD21 ASN A 46 7.759 15.785 -6.640 1.00 20.24 H new ATOM 0 HD22 ASN A 46 7.836 14.159 -5.954 1.00 20.24 H new ATOM 721 N CYS A 47 5.087 12.957 -10.653 1.00 14.14 N ATOM 722 CA CYS A 47 5.716 13.231 -11.939 1.00 25.15 C ATOM 723 C CYS A 47 5.446 14.666 -12.382 1.00 73.44 C ATOM 724 O CYS A 47 4.322 15.158 -12.280 1.00 31.25 O ATOM 725 CB CYS A 47 5.206 12.253 -12.999 1.00 24.35 C ATOM 726 SG CYS A 47 5.822 10.550 -12.797 1.00 3.22 S ATOM 0 H CYS A 47 4.074 12.844 -10.695 1.00 14.14 H new ATOM 0 HA CYS A 47 6.792 13.102 -11.824 1.00 25.15 H new ATOM 0 HB2 CYS A 47 4.116 12.240 -12.971 1.00 24.35 H new ATOM 0 HB3 CYS A 47 5.495 12.618 -13.984 1.00 24.35 H new ATOM 731 N LYS A 48 6.484 15.332 -12.877 1.00 34.13 N ATOM 732 CA LYS A 48 6.360 16.709 -13.338 1.00 54.42 C ATOM 733 C LYS A 48 7.025 16.889 -14.699 1.00 1.31 C ATOM 734 O LYS A 48 8.123 16.385 -14.936 1.00 0.34 O ATOM 735 CB LYS A 48 6.985 17.668 -12.322 1.00 71.31 C ATOM 736 CG LYS A 48 8.452 17.389 -12.047 1.00 5.43 C ATOM 737 CD LYS A 48 8.664 16.852 -10.641 1.00 51.31 C ATOM 738 CE LYS A 48 9.772 15.811 -10.603 1.00 71.12 C ATOM 739 NZ LYS A 48 11.041 16.370 -10.060 1.00 54.40 N ATOM 0 H LYS A 48 7.421 14.940 -12.969 1.00 34.13 H new ATOM 0 HA LYS A 48 5.299 16.938 -13.438 1.00 54.42 H new ATOM 0 HB2 LYS A 48 6.880 18.690 -12.687 1.00 71.31 H new ATOM 0 HB3 LYS A 48 6.430 17.605 -11.386 1.00 71.31 H new ATOM 0 HG2 LYS A 48 8.829 16.669 -12.773 1.00 5.43 H new ATOM 0 HG3 LYS A 48 9.028 18.305 -12.178 1.00 5.43 H new ATOM 0 HD2 LYS A 48 8.913 17.674 -9.970 1.00 51.31 H new ATOM 0 HD3 LYS A 48 7.737 16.411 -10.275 1.00 51.31 H new ATOM 0 HE2 LYS A 48 9.456 14.967 -9.990 1.00 71.12 H new ATOM 0 HE3 LYS A 48 9.945 15.428 -11.609 1.00 71.12 H new ATOM 0 HZ1 LYS A 48 11.771 15.629 -10.051 1.00 54.40 H new ATOM 0 HZ2 LYS A 48 11.357 17.160 -10.659 1.00 54.40 H new ATOM 0 HZ3 LYS A 48 10.883 16.712 -9.091 1.00 54.40 H new ATOM 753 N VAL A 49 6.354 17.612 -15.590 1.00 50.20 N ATOM 754 CA VAL A 49 6.882 17.861 -16.926 1.00 72.22 C ATOM 755 C VAL A 49 8.303 18.410 -16.862 1.00 74.25 C ATOM 756 O VAL A 49 8.512 19.584 -16.558 1.00 12.41 O ATOM 757 CB VAL A 49 5.995 18.851 -17.705 1.00 21.14 C ATOM 758 CG1 VAL A 49 4.721 18.168 -18.178 1.00 12.40 C ATOM 759 CG2 VAL A 49 5.672 20.065 -16.846 1.00 64.25 C ATOM 0 H VAL A 49 5.444 18.036 -15.411 1.00 50.20 H new ATOM 0 HA VAL A 49 6.889 16.904 -17.447 1.00 72.22 H new ATOM 0 HB VAL A 49 6.544 19.191 -18.583 1.00 21.14 H new ATOM 0 HG11 VAL A 49 4.107 18.883 -18.726 1.00 12.40 H new ATOM 0 HG12 VAL A 49 4.976 17.333 -18.831 1.00 12.40 H new ATOM 0 HG13 VAL A 49 4.165 17.798 -17.316 1.00 12.40 H new ATOM 0 HG21 VAL A 49 5.045 20.754 -17.411 1.00 64.25 H new ATOM 0 HG22 VAL A 49 5.142 19.745 -15.949 1.00 64.25 H new ATOM 0 HG23 VAL A 49 6.597 20.566 -16.562 1.00 64.25 H new ATOM 769 N ILE A 50 9.276 17.553 -17.152 1.00 74.42 N ATOM 770 CA ILE A 50 10.677 17.952 -17.129 1.00 41.44 C ATOM 771 C ILE A 50 11.514 17.078 -18.057 1.00 75.22 C ATOM 772 O ILE A 50 11.192 15.911 -18.285 1.00 25.53 O ATOM 773 CB ILE A 50 11.261 17.877 -15.706 1.00 61.33 C ATOM 774 CG1 ILE A 50 12.650 18.518 -15.666 1.00 55.44 C ATOM 775 CG2 ILE A 50 11.326 16.431 -15.237 1.00 0.14 C ATOM 776 CD1 ILE A 50 13.140 18.811 -14.266 1.00 11.03 C ATOM 0 H ILE A 50 9.119 16.578 -17.406 1.00 74.42 H new ATOM 0 HA ILE A 50 10.716 18.985 -17.475 1.00 41.44 H new ATOM 0 HB ILE A 50 10.607 18.430 -15.031 1.00 61.33 H new ATOM 0 HG12 ILE A 50 13.361 17.856 -16.160 1.00 55.44 H new ATOM 0 HG13 ILE A 50 12.629 19.446 -16.237 1.00 55.44 H new ATOM 0 HG21 ILE A 50 11.741 16.393 -14.230 1.00 0.14 H new ATOM 0 HG22 ILE A 50 10.323 16.005 -15.232 1.00 0.14 H new ATOM 0 HG23 ILE A 50 11.961 15.858 -15.912 1.00 0.14 H new ATOM 0 HD11 ILE A 50 14.130 19.264 -14.314 1.00 11.03 H new ATOM 0 HD12 ILE A 50 12.450 19.498 -13.775 1.00 11.03 H new ATOM 0 HD13 ILE A 50 13.193 17.883 -13.697 1.00 11.03 H new ATOM 788 N LEU A 51 12.589 17.649 -18.589 1.00 74.42 N ATOM 789 CA LEU A 51 13.474 16.921 -19.492 1.00 31.54 C ATOM 790 C LEU A 51 14.859 16.752 -18.877 1.00 24.25 C ATOM 791 O LEU A 51 15.256 17.513 -17.994 1.00 2.24 O ATOM 792 CB LEU A 51 13.583 17.652 -20.831 1.00 4.14 C ATOM 793 CG LEU A 51 12.261 18.030 -21.499 1.00 62.01 C ATOM 794 CD1 LEU A 51 12.319 19.454 -22.030 1.00 1.04 C ATOM 795 CD2 LEU A 51 11.932 17.054 -22.620 1.00 2.43 C ATOM 0 H LEU A 51 12.869 18.614 -18.411 1.00 74.42 H new ATOM 0 HA LEU A 51 13.048 15.932 -19.660 1.00 31.54 H new ATOM 0 HB2 LEU A 51 14.163 18.562 -20.679 1.00 4.14 H new ATOM 0 HB3 LEU A 51 14.149 17.024 -21.520 1.00 4.14 H new ATOM 0 HG LEU A 51 11.469 17.975 -20.752 1.00 62.01 H new ATOM 0 HD11 LEU A 51 11.369 19.705 -22.502 1.00 1.04 H new ATOM 0 HD12 LEU A 51 12.508 20.142 -21.206 1.00 1.04 H new ATOM 0 HD13 LEU A 51 13.121 19.537 -22.763 1.00 1.04 H new ATOM 0 HD21 LEU A 51 10.988 17.338 -23.084 1.00 2.43 H new ATOM 0 HD22 LEU A 51 12.725 17.077 -23.367 1.00 2.43 H new ATOM 0 HD23 LEU A 51 11.847 16.047 -22.212 1.00 2.43 H new ATOM 807 N THR A 52 15.594 15.750 -19.350 1.00 73.22 N ATOM 808 CA THR A 52 16.935 15.482 -18.848 1.00 63.51 C ATOM 809 C THR A 52 17.987 16.218 -19.669 1.00 43.42 C ATOM 810 O THR A 52 19.186 16.016 -19.484 1.00 64.11 O ATOM 811 CB THR A 52 17.251 13.974 -18.865 1.00 75.23 C ATOM 812 OG1 THR A 52 18.525 13.733 -18.259 1.00 64.15 O ATOM 813 CG2 THR A 52 17.250 13.437 -20.289 1.00 3.22 C ATOM 0 H THR A 52 15.282 15.110 -20.081 1.00 73.22 H new ATOM 0 HA THR A 52 16.964 15.841 -17.819 1.00 63.51 H new ATOM 0 HB THR A 52 16.477 13.457 -18.298 1.00 75.23 H new ATOM 0 HG1 THR A 52 19.139 14.461 -18.488 1.00 64.15 H new ATOM 0 HG21 THR A 52 17.475 12.371 -20.276 1.00 3.22 H new ATOM 0 HG22 THR A 52 16.269 13.595 -20.737 1.00 3.22 H new ATOM 0 HG23 THR A 52 18.005 13.960 -20.876 1.00 3.22 H new ATOM 821 N ASN A 53 17.530 17.075 -20.577 1.00 32.22 N ATOM 822 CA ASN A 53 18.433 17.843 -21.427 1.00 34.43 C ATOM 823 C ASN A 53 18.683 19.229 -20.841 1.00 41.25 C ATOM 824 O ASN A 53 18.900 20.194 -21.574 1.00 21.43 O ATOM 825 CB ASN A 53 17.854 17.969 -22.838 1.00 3.15 C ATOM 826 CG ASN A 53 17.048 16.751 -23.243 1.00 75.31 C ATOM 827 OD1 ASN A 53 17.598 15.669 -23.450 1.00 34.12 O ATOM 828 ND2 ASN A 53 15.736 16.922 -23.359 1.00 32.30 N ATOM 0 H ASN A 53 16.540 17.255 -20.743 1.00 32.22 H new ATOM 0 HA ASN A 53 19.384 17.313 -21.478 1.00 34.43 H new ATOM 0 HB2 ASN A 53 17.220 18.854 -22.890 1.00 3.15 H new ATOM 0 HB3 ASN A 53 18.667 18.116 -23.549 1.00 3.15 H new ATOM 0 HD21 ASN A 53 15.142 16.138 -23.629 1.00 32.30 H new ATOM 0 HD22 ASN A 53 15.323 17.837 -23.178 1.00 32.30 H new ATOM 835 N GLY A 54 18.652 19.320 -19.515 1.00 51.53 N ATOM 836 CA GLY A 54 18.878 20.592 -18.854 1.00 15.32 C ATOM 837 C GLY A 54 17.845 21.635 -19.234 1.00 60.12 C ATOM 838 O GLY A 54 18.090 22.835 -19.113 1.00 15.45 O ATOM 0 H GLY A 54 18.475 18.536 -18.887 1.00 51.53 H new ATOM 0 HA2 GLY A 54 18.861 20.445 -17.774 1.00 15.32 H new ATOM 0 HA3 GLY A 54 19.872 20.959 -19.110 1.00 15.32 H new ATOM 842 N LYS A 55 16.687 21.177 -19.698 1.00 62.11 N ATOM 843 CA LYS A 55 15.613 22.078 -20.099 1.00 31.44 C ATOM 844 C LYS A 55 14.266 21.581 -19.584 1.00 32.44 C ATOM 845 O LYS A 55 14.105 20.398 -19.284 1.00 14.02 O ATOM 846 CB LYS A 55 15.571 22.209 -21.623 1.00 22.12 C ATOM 847 CG LYS A 55 15.699 20.882 -22.351 1.00 42.33 C ATOM 848 CD LYS A 55 14.778 20.817 -23.558 1.00 14.34 C ATOM 849 CE LYS A 55 15.360 21.569 -24.745 1.00 33.21 C ATOM 850 NZ LYS A 55 15.548 20.681 -25.925 1.00 62.52 N ATOM 0 H LYS A 55 16.468 20.187 -19.806 1.00 62.11 H new ATOM 0 HA LYS A 55 15.811 23.057 -19.662 1.00 31.44 H new ATOM 0 HB2 LYS A 55 14.634 22.684 -21.913 1.00 22.12 H new ATOM 0 HB3 LYS A 55 16.376 22.870 -21.945 1.00 22.12 H new ATOM 0 HG2 LYS A 55 16.731 20.740 -22.672 1.00 42.33 H new ATOM 0 HG3 LYS A 55 15.462 20.067 -21.667 1.00 42.33 H new ATOM 0 HD2 LYS A 55 14.610 19.776 -23.833 1.00 14.34 H new ATOM 0 HD3 LYS A 55 13.807 21.239 -23.299 1.00 14.34 H new ATOM 0 HE2 LYS A 55 14.699 22.393 -25.012 1.00 33.21 H new ATOM 0 HE3 LYS A 55 16.318 22.007 -24.464 1.00 33.21 H new ATOM 0 HZ1 LYS A 55 15.946 21.230 -26.713 1.00 62.52 H new ATOM 0 HZ2 LYS A 55 16.199 19.908 -25.678 1.00 62.52 H new ATOM 0 HZ3 LYS A 55 14.630 20.283 -26.210 1.00 62.52 H new ATOM 864 N GLN A 56 13.302 22.491 -19.485 1.00 45.04 N ATOM 865 CA GLN A 56 11.970 22.143 -19.007 1.00 55.54 C ATOM 866 C GLN A 56 10.968 22.120 -20.157 1.00 52.42 C ATOM 867 O GLN A 56 11.119 22.847 -21.139 1.00 75.41 O ATOM 868 CB GLN A 56 11.513 23.137 -17.938 1.00 2.04 C ATOM 869 CG GLN A 56 12.288 23.027 -16.635 1.00 23.34 C ATOM 870 CD GLN A 56 11.943 24.131 -15.655 1.00 44.10 C ATOM 871 OE1 GLN A 56 10.857 24.147 -15.077 1.00 35.54 O ATOM 872 NE2 GLN A 56 12.870 25.063 -15.463 1.00 55.23 N ATOM 0 H GLN A 56 13.419 23.474 -19.729 1.00 45.04 H new ATOM 0 HA GLN A 56 12.018 21.146 -18.570 1.00 55.54 H new ATOM 0 HB2 GLN A 56 11.615 24.150 -18.328 1.00 2.04 H new ATOM 0 HB3 GLN A 56 10.454 22.979 -17.736 1.00 2.04 H new ATOM 0 HG2 GLN A 56 12.082 22.061 -16.175 1.00 23.34 H new ATOM 0 HG3 GLN A 56 13.356 23.057 -16.849 1.00 23.34 H new ATOM 0 HE21 GLN A 56 13.757 25.011 -15.964 1.00 55.23 H new ATOM 0 HE22 GLN A 56 12.695 25.831 -14.815 1.00 55.23 H new ATOM 881 N ALA A 57 9.945 21.281 -20.028 1.00 4.11 N ATOM 882 CA ALA A 57 8.918 21.165 -21.055 1.00 61.24 C ATOM 883 C ALA A 57 8.351 22.532 -21.422 1.00 40.01 C ATOM 884 O ALA A 57 8.472 23.502 -20.673 1.00 75.13 O ATOM 885 CB ALA A 57 7.806 20.238 -20.587 1.00 12.30 C ATOM 0 H ALA A 57 9.806 20.672 -19.222 1.00 4.11 H new ATOM 0 HA ALA A 57 9.378 20.741 -21.947 1.00 61.24 H new ATOM 0 HB1 ALA A 57 7.046 20.161 -21.364 1.00 12.30 H new ATOM 0 HB2 ALA A 57 8.218 19.250 -20.383 1.00 12.30 H new ATOM 0 HB3 ALA A 57 7.357 20.639 -19.678 1.00 12.30 H new ATOM 891 N PRO A 58 7.718 22.614 -22.602 1.00 20.03 N ATOM 892 CA PRO A 58 7.120 23.858 -23.094 1.00 51.34 C ATOM 893 C PRO A 58 5.888 24.266 -22.294 1.00 33.11 C ATOM 894 O PRO A 58 5.589 23.678 -21.254 1.00 41.50 O ATOM 895 CB PRO A 58 6.733 23.519 -24.536 1.00 50.41 C ATOM 896 CG PRO A 58 6.550 22.041 -24.542 1.00 23.13 C ATOM 897 CD PRO A 58 7.537 21.498 -23.545 1.00 71.02 C ATOM 0 HA PRO A 58 7.806 24.701 -23.009 1.00 51.34 H new ATOM 0 HB2 PRO A 58 5.818 24.032 -24.831 1.00 50.41 H new ATOM 0 HB3 PRO A 58 7.510 23.824 -25.237 1.00 50.41 H new ATOM 0 HG2 PRO A 58 5.530 21.773 -24.267 1.00 23.13 H new ATOM 0 HG3 PRO A 58 6.731 21.629 -25.535 1.00 23.13 H new ATOM 0 HD2 PRO A 58 7.155 20.608 -23.045 1.00 71.02 H new ATOM 0 HD3 PRO A 58 8.477 21.218 -24.021 1.00 71.02 H new ATOM 905 N ASP A 59 5.176 25.274 -22.785 1.00 51.31 N ATOM 906 CA ASP A 59 3.974 25.759 -22.116 1.00 5.41 C ATOM 907 C ASP A 59 2.762 24.916 -22.497 1.00 30.30 C ATOM 908 O ASP A 59 1.713 24.996 -21.858 1.00 74.34 O ATOM 909 CB ASP A 59 3.723 27.226 -22.472 1.00 24.52 C ATOM 910 CG ASP A 59 4.488 28.178 -21.574 1.00 40.41 C ATOM 911 OD1 ASP A 59 3.960 28.533 -20.500 1.00 21.04 O ATOM 912 OD2 ASP A 59 5.614 28.570 -21.946 1.00 41.15 O ATOM 0 H ASP A 59 5.410 25.772 -23.644 1.00 51.31 H new ATOM 0 HA ASP A 59 4.128 25.675 -21.040 1.00 5.41 H new ATOM 0 HB2 ASP A 59 4.010 27.400 -23.509 1.00 24.52 H new ATOM 0 HB3 ASP A 59 2.656 27.438 -22.397 1.00 24.52 H new ATOM 917 N TRP A 60 2.914 24.109 -23.541 1.00 53.42 N ATOM 918 CA TRP A 60 1.830 23.252 -24.008 1.00 23.40 C ATOM 919 C TRP A 60 2.077 21.800 -23.613 1.00 33.21 C ATOM 920 O TRP A 60 1.545 20.878 -24.234 1.00 11.24 O ATOM 921 CB TRP A 60 1.683 23.362 -25.526 1.00 61.04 C ATOM 922 CG TRP A 60 2.980 23.206 -26.262 1.00 34.31 C ATOM 923 CD1 TRP A 60 3.884 24.189 -26.547 1.00 32.40 C ATOM 924 CD2 TRP A 60 3.515 21.995 -26.807 1.00 21.21 C ATOM 925 NE1 TRP A 60 4.949 23.662 -27.237 1.00 22.24 N ATOM 926 CE2 TRP A 60 4.747 22.318 -27.408 1.00 25.21 C ATOM 927 CE3 TRP A 60 3.075 20.669 -26.844 1.00 53.21 C ATOM 928 CZ2 TRP A 60 5.541 21.363 -28.038 1.00 73.13 C ATOM 929 CZ3 TRP A 60 3.863 19.723 -27.470 1.00 70.34 C ATOM 930 CH2 TRP A 60 5.085 20.073 -28.060 1.00 20.21 C ATOM 0 H TRP A 60 3.776 24.030 -24.080 1.00 53.42 H new ATOM 0 HA TRP A 60 0.906 23.586 -23.536 1.00 23.40 H new ATOM 0 HB2 TRP A 60 0.983 22.601 -25.872 1.00 61.04 H new ATOM 0 HB3 TRP A 60 1.248 24.331 -25.772 1.00 61.04 H new ATOM 0 HD1 TRP A 60 3.778 25.228 -26.271 1.00 32.40 H new ATOM 0 HE1 TRP A 60 5.759 24.187 -27.568 1.00 22.24 H new ATOM 0 HE3 TRP A 60 2.135 20.389 -26.391 1.00 53.21 H new ATOM 0 HZ2 TRP A 60 6.483 21.631 -28.493 1.00 73.13 H new ATOM 0 HZ3 TRP A 60 3.532 18.696 -27.505 1.00 70.34 H new ATOM 0 HH2 TRP A 60 5.678 19.310 -28.541 1.00 20.21 H new ATOM 941 N LEU A 61 2.885 21.602 -22.578 1.00 21.05 N ATOM 942 CA LEU A 61 3.202 20.261 -22.099 1.00 74.43 C ATOM 943 C LEU A 61 2.659 20.043 -20.690 1.00 63.23 C ATOM 944 O LEU A 61 2.703 20.942 -19.852 1.00 2.42 O ATOM 945 CB LEU A 61 4.715 20.036 -22.116 1.00 75.42 C ATOM 946 CG LEU A 61 5.212 18.880 -22.986 1.00 14.22 C ATOM 947 CD1 LEU A 61 4.469 17.598 -22.645 1.00 21.45 C ATOM 948 CD2 LEU A 61 5.050 19.216 -24.461 1.00 64.53 C ATOM 0 H LEU A 61 3.333 22.353 -22.054 1.00 21.05 H new ATOM 0 HA LEU A 61 2.727 19.542 -22.766 1.00 74.43 H new ATOM 0 HB2 LEU A 61 5.195 20.953 -22.457 1.00 75.42 H new ATOM 0 HB3 LEU A 61 5.048 19.863 -21.093 1.00 75.42 H new ATOM 0 HG LEU A 61 6.272 18.726 -22.783 1.00 14.22 H new ATOM 0 HD11 LEU A 61 4.836 16.787 -23.274 1.00 21.45 H new ATOM 0 HD12 LEU A 61 4.636 17.349 -21.597 1.00 21.45 H new ATOM 0 HD13 LEU A 61 3.402 17.738 -22.819 1.00 21.45 H new ATOM 0 HD21 LEU A 61 5.408 18.383 -25.065 1.00 64.53 H new ATOM 0 HD22 LEU A 61 3.998 19.396 -24.680 1.00 64.53 H new ATOM 0 HD23 LEU A 61 5.628 20.110 -24.696 1.00 64.53 H new ATOM 960 N ALA A 62 2.150 18.842 -20.437 1.00 23.41 N ATOM 961 CA ALA A 62 1.604 18.504 -19.129 1.00 13.15 C ATOM 962 C ALA A 62 1.792 17.023 -18.820 1.00 60.54 C ATOM 963 O ALA A 62 2.310 16.269 -19.644 1.00 21.33 O ATOM 964 CB ALA A 62 0.130 18.876 -19.060 1.00 51.13 C ATOM 0 H ALA A 62 2.104 18.087 -21.121 1.00 23.41 H new ATOM 0 HA ALA A 62 2.148 19.076 -18.378 1.00 13.15 H new ATOM 0 HB1 ALA A 62 -0.265 18.618 -18.077 1.00 51.13 H new ATOM 0 HB2 ALA A 62 0.017 19.947 -19.227 1.00 51.13 H new ATOM 0 HB3 ALA A 62 -0.419 18.330 -19.827 1.00 51.13 H new ATOM 970 N ALA A 63 1.369 16.612 -17.629 1.00 53.14 N ATOM 971 CA ALA A 63 1.490 15.220 -17.214 1.00 12.34 C ATOM 972 C ALA A 63 0.491 14.888 -16.111 1.00 13.05 C ATOM 973 O ALA A 63 0.446 15.558 -15.080 1.00 13.24 O ATOM 974 CB ALA A 63 2.909 14.930 -16.748 1.00 11.21 C ATOM 0 H ALA A 63 0.939 17.223 -16.935 1.00 53.14 H new ATOM 0 HA ALA A 63 1.266 14.589 -18.074 1.00 12.34 H new ATOM 0 HB1 ALA A 63 2.985 13.887 -16.441 1.00 11.21 H new ATOM 0 HB2 ALA A 63 3.606 15.120 -17.564 1.00 11.21 H new ATOM 0 HB3 ALA A 63 3.154 15.575 -15.904 1.00 11.21 H new ATOM 980 N GLU A 64 -0.309 13.850 -16.336 1.00 22.05 N ATOM 981 CA GLU A 64 -1.308 13.431 -15.360 1.00 73.10 C ATOM 982 C GLU A 64 -0.844 12.189 -14.605 1.00 34.40 C ATOM 983 O GLU A 64 0.042 11.457 -15.047 1.00 54.24 O ATOM 984 CB GLU A 64 -2.644 13.151 -16.053 1.00 25.01 C ATOM 985 CG GLU A 64 -3.612 14.321 -16.003 1.00 71.32 C ATOM 986 CD GLU A 64 -5.029 13.891 -15.677 1.00 53.13 C ATOM 987 OE1 GLU A 64 -5.712 13.363 -16.579 1.00 70.43 O ATOM 988 OE2 GLU A 64 -5.455 14.084 -14.519 1.00 74.41 O ATOM 0 H GLU A 64 -0.285 13.285 -17.185 1.00 22.05 H new ATOM 0 HA GLU A 64 -1.441 14.242 -14.644 1.00 73.10 H new ATOM 0 HB2 GLU A 64 -2.456 12.890 -17.094 1.00 25.01 H new ATOM 0 HB3 GLU A 64 -3.111 12.284 -15.586 1.00 25.01 H new ATOM 0 HG2 GLU A 64 -3.272 15.037 -15.255 1.00 71.32 H new ATOM 0 HG3 GLU A 64 -3.604 14.836 -16.964 1.00 71.32 H new