USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 774 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 3 THR OG1 : rot 180:sc= -0.0589 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 20 CYS SG : rot -121:sc= 0.949 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0909 USER MOD Single : A 26 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.39) USER MOD Single : A 29 THR OG1 : rot -4:sc= 0.57! USER MOD Single : A 30 GLN :FLIP amide:sc= -0.318 F(o=-1.4,f=-0.32) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -34:sc= 0.274 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.04 K(o=-1,f=-3.5!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.808 K(o=-0.81,f=-1.3) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 63 THR OG1 : rot 58:sc= -0.0064 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.057) USER MOD Single : A 72 THR OG1 : rot 53:sc= 0.41 USER MOD Single : A 77 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.59) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -60:sc= 1.27 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc=-0.00485 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.324 0.765 0.421 1.00 42.14 N ATOM 2 CA PRO A 1 2.914 0.655 -0.917 1.00 24.23 C ATOM 3 C PRO A 1 2.512 -0.635 -1.623 1.00 63.32 C ATOM 4 O PRO A 1 1.999 -1.564 -0.997 1.00 43.04 O ATOM 5 CB PRO A 1 4.420 0.667 -0.642 1.00 2.01 C ATOM 6 CG PRO A 1 4.555 0.158 0.752 1.00 61.14 C ATOM 7 CD PRO A 1 3.332 0.633 1.486 1.00 31.51 C ATOM 0 H2 PRO A 1 1.612 0.044 0.537 1.00 42.14 H new ATOM 0 H3 PRO A 1 1.853 1.665 0.510 1.00 42.14 H new ATOM 0 HA PRO A 1 2.581 1.456 -1.577 1.00 24.23 H new ATOM 0 HB2 PRO A 1 4.956 0.033 -1.348 1.00 2.01 H new ATOM 0 HB3 PRO A 1 4.832 1.672 -0.738 1.00 2.01 H new ATOM 0 HG2 PRO A 1 4.620 -0.930 0.766 1.00 61.14 H new ATOM 0 HG3 PRO A 1 5.463 0.538 1.220 1.00 61.14 H new ATOM 0 HD2 PRO A 1 3.019 -0.080 2.249 1.00 31.51 H new ATOM 0 HD3 PRO A 1 3.510 1.583 1.991 1.00 31.51 H new ATOM 15 N LEU A 2 2.748 -0.687 -2.929 1.00 64.24 N ATOM 16 CA LEU A 2 2.411 -1.865 -3.722 1.00 2.13 C ATOM 17 C LEU A 2 3.498 -2.158 -4.751 1.00 21.42 C ATOM 18 O LEU A 2 4.229 -1.261 -5.172 1.00 31.10 O ATOM 19 CB LEU A 2 1.068 -1.663 -4.425 1.00 50.02 C ATOM 20 CG LEU A 2 -0.090 -2.525 -3.921 1.00 60.11 C ATOM 21 CD1 LEU A 2 -1.043 -1.697 -3.073 1.00 43.44 C ATOM 22 CD2 LEU A 2 -0.829 -3.162 -5.089 1.00 42.33 C ATOM 0 H LEU A 2 3.171 0.073 -3.462 1.00 64.24 H new ATOM 0 HA LEU A 2 2.336 -2.718 -3.047 1.00 2.13 H new ATOM 0 HB2 LEU A 2 0.784 -0.615 -4.328 1.00 50.02 H new ATOM 0 HB3 LEU A 2 1.204 -1.859 -5.489 1.00 50.02 H new ATOM 0 HG LEU A 2 0.319 -3.321 -3.299 1.00 60.11 H new ATOM 0 HD11 LEU A 2 -1.860 -2.328 -2.723 1.00 43.44 H new ATOM 0 HD12 LEU A 2 -0.507 -1.290 -2.216 1.00 43.44 H new ATOM 0 HD13 LEU A 2 -1.446 -0.880 -3.671 1.00 43.44 H new ATOM 0 HD21 LEU A 2 -1.650 -3.772 -4.711 1.00 42.33 H new ATOM 0 HD22 LEU A 2 -1.226 -2.381 -5.738 1.00 42.33 H new ATOM 0 HD23 LEU A 2 -0.141 -3.790 -5.656 1.00 42.33 H new ATOM 34 N THR A 3 3.598 -3.421 -5.154 1.00 65.23 N ATOM 35 CA THR A 3 4.595 -3.833 -6.135 1.00 32.42 C ATOM 36 C THR A 3 3.959 -4.646 -7.257 1.00 13.31 C ATOM 37 O THR A 3 2.812 -5.081 -7.148 1.00 3.11 O ATOM 38 CB THR A 3 5.713 -4.668 -5.483 1.00 2.04 C ATOM 39 OG1 THR A 3 6.821 -4.791 -6.382 1.00 34.10 O ATOM 40 CG2 THR A 3 5.205 -6.051 -5.103 1.00 42.22 C ATOM 0 H THR A 3 3.001 -4.176 -4.816 1.00 65.23 H new ATOM 0 HA THR A 3 5.026 -2.922 -6.549 1.00 32.42 H new ATOM 0 HB THR A 3 6.037 -4.156 -4.577 1.00 2.04 H new ATOM 0 HG1 THR A 3 7.528 -5.322 -5.959 1.00 34.10 H new ATOM 0 HG21 THR A 3 6.012 -6.622 -4.644 1.00 42.22 H new ATOM 0 HG22 THR A 3 4.382 -5.954 -4.395 1.00 42.22 H new ATOM 0 HG23 THR A 3 4.857 -6.569 -5.997 1.00 42.22 H new ATOM 48 N ARG A 4 4.710 -4.847 -8.335 1.00 11.14 N ATOM 49 CA ARG A 4 4.218 -5.607 -9.477 1.00 64.24 C ATOM 50 C ARG A 4 4.833 -7.004 -9.506 1.00 54.31 C ATOM 51 O ARG A 4 5.865 -7.267 -8.890 1.00 24.20 O ATOM 52 CB ARG A 4 4.536 -4.872 -10.781 1.00 10.12 C ATOM 53 CG ARG A 4 3.346 -4.131 -11.368 1.00 13.24 C ATOM 54 CD ARG A 4 3.198 -2.744 -10.761 1.00 23.45 C ATOM 55 NE ARG A 4 2.066 -2.667 -9.842 1.00 12.33 N ATOM 56 CZ ARG A 4 1.746 -1.572 -9.160 1.00 71.23 C ATOM 57 NH1 ARG A 4 2.469 -0.469 -9.294 1.00 61.01 N ATOM 58 NH2 ARG A 4 0.700 -1.580 -8.343 1.00 44.33 N ATOM 0 H ARG A 4 5.661 -4.494 -8.441 1.00 11.14 H new ATOM 0 HA ARG A 4 3.137 -5.706 -9.377 1.00 64.24 H new ATOM 0 HB2 ARG A 4 5.343 -4.161 -10.600 1.00 10.12 H new ATOM 0 HB3 ARG A 4 4.903 -5.591 -11.513 1.00 10.12 H new ATOM 0 HG2 ARG A 4 3.466 -4.046 -12.448 1.00 13.24 H new ATOM 0 HG3 ARG A 4 2.436 -4.705 -11.193 1.00 13.24 H new ATOM 0 HD2 ARG A 4 4.114 -2.481 -10.231 1.00 23.45 H new ATOM 0 HD3 ARG A 4 3.069 -2.012 -11.558 1.00 23.45 H new ATOM 0 HE ARG A 4 1.489 -3.499 -9.717 1.00 12.33 H new ATOM 0 HH11 ARG A 4 3.273 -0.459 -9.922 1.00 61.01 H new ATOM 0 HH12 ARG A 4 2.221 0.370 -8.769 1.00 61.01 H new ATOM 0 HH21 ARG A 4 0.141 -2.427 -8.238 1.00 44.33 H new ATOM 0 HH22 ARG A 4 0.455 -0.739 -7.820 1.00 44.33 H new ATOM 72 N PRO A 5 4.183 -7.921 -10.238 1.00 21.11 N ATOM 73 CA PRO A 5 4.647 -9.306 -10.365 1.00 0.14 C ATOM 74 C PRO A 5 5.928 -9.415 -11.185 1.00 33.51 C ATOM 75 O PRO A 5 5.898 -9.815 -12.349 1.00 64.31 O ATOM 76 CB PRO A 5 3.490 -10.003 -11.084 1.00 32.30 C ATOM 77 CG PRO A 5 2.802 -8.917 -11.837 1.00 22.11 C ATOM 78 CD PRO A 5 2.946 -7.677 -10.999 1.00 21.14 C ATOM 0 HA PRO A 5 4.891 -9.745 -9.398 1.00 0.14 H new ATOM 0 HB2 PRO A 5 3.853 -10.782 -11.755 1.00 32.30 H new ATOM 0 HB3 PRO A 5 2.815 -10.482 -10.375 1.00 32.30 H new ATOM 0 HG2 PRO A 5 3.252 -8.778 -12.820 1.00 22.11 H new ATOM 0 HG3 PRO A 5 1.752 -9.159 -11.999 1.00 22.11 H new ATOM 0 HD2 PRO A 5 3.024 -6.782 -11.616 1.00 21.14 H new ATOM 0 HD3 PRO A 5 2.090 -7.536 -10.339 1.00 21.14 H new ATOM 86 N TYR A 6 7.050 -9.059 -10.571 1.00 3.30 N ATOM 87 CA TYR A 6 8.342 -9.115 -11.246 1.00 34.24 C ATOM 88 C TYR A 6 9.328 -9.977 -10.463 1.00 72.01 C ATOM 89 O TYR A 6 9.283 -10.033 -9.233 1.00 53.54 O ATOM 90 CB TYR A 6 8.909 -7.706 -11.425 1.00 21.11 C ATOM 91 CG TYR A 6 9.789 -7.559 -12.645 1.00 43.54 C ATOM 92 CD1 TYR A 6 11.159 -7.360 -12.518 1.00 53.35 C ATOM 93 CD2 TYR A 6 9.252 -7.617 -13.925 1.00 52.12 C ATOM 94 CE1 TYR A 6 11.967 -7.224 -13.631 1.00 12.43 C ATOM 95 CE2 TYR A 6 10.052 -7.483 -15.043 1.00 24.30 C ATOM 96 CZ TYR A 6 11.409 -7.287 -14.891 1.00 1.34 C ATOM 97 OH TYR A 6 12.210 -7.152 -16.002 1.00 12.34 O ATOM 0 H TYR A 6 7.092 -8.728 -9.607 1.00 3.30 H new ATOM 0 HA TYR A 6 8.192 -9.566 -12.227 1.00 34.24 H new ATOM 0 HB2 TYR A 6 8.084 -6.997 -11.495 1.00 21.11 H new ATOM 0 HB3 TYR A 6 9.484 -7.439 -10.538 1.00 21.11 H new ATOM 0 HD1 TYR A 6 11.599 -7.311 -11.533 1.00 53.35 H new ATOM 0 HD2 TYR A 6 8.190 -7.770 -14.048 1.00 52.12 H new ATOM 0 HE1 TYR A 6 13.030 -7.069 -13.515 1.00 12.43 H new ATOM 0 HE2 TYR A 6 9.618 -7.531 -16.031 1.00 24.30 H new ATOM 0 HH TYR A 6 11.662 -7.222 -16.811 1.00 12.34 H new ATOM 107 N LEU A 7 10.219 -10.648 -11.185 1.00 11.23 N ATOM 108 CA LEU A 7 11.218 -11.507 -10.560 1.00 23.41 C ATOM 109 C LEU A 7 12.624 -10.961 -10.786 1.00 65.55 C ATOM 110 O LEU A 7 13.050 -10.768 -11.924 1.00 42.43 O ATOM 111 CB LEU A 7 11.115 -12.929 -11.115 1.00 24.23 C ATOM 112 CG LEU A 7 11.284 -13.073 -12.628 1.00 23.24 C ATOM 113 CD1 LEU A 7 12.641 -13.675 -12.958 1.00 44.43 C ATOM 114 CD2 LEU A 7 10.165 -13.924 -13.211 1.00 25.04 C ATOM 0 H LEU A 7 10.270 -10.614 -12.203 1.00 11.23 H new ATOM 0 HA LEU A 7 11.025 -11.527 -9.487 1.00 23.41 H new ATOM 0 HB2 LEU A 7 11.870 -13.544 -10.625 1.00 24.23 H new ATOM 0 HB3 LEU A 7 10.143 -13.336 -10.838 1.00 24.23 H new ATOM 0 HG LEU A 7 11.230 -12.081 -13.077 1.00 23.24 H new ATOM 0 HD11 LEU A 7 12.744 -13.770 -14.039 1.00 44.43 H new ATOM 0 HD12 LEU A 7 13.429 -13.027 -12.574 1.00 44.43 H new ATOM 0 HD13 LEU A 7 12.724 -14.660 -12.498 1.00 44.43 H new ATOM 0 HD21 LEU A 7 10.301 -14.016 -14.289 1.00 25.04 H new ATOM 0 HD22 LEU A 7 10.187 -14.915 -12.757 1.00 25.04 H new ATOM 0 HD23 LEU A 7 9.204 -13.452 -13.006 1.00 25.04 H new ATOM 126 N GLY A 8 13.342 -10.717 -9.694 1.00 63.32 N ATOM 127 CA GLY A 8 14.694 -10.198 -9.795 1.00 73.24 C ATOM 128 C GLY A 8 15.706 -11.074 -9.085 1.00 21.42 C ATOM 129 O GLY A 8 16.819 -10.637 -8.792 1.00 23.40 O ATOM 0 H GLY A 8 13.012 -10.869 -8.741 1.00 63.32 H new ATOM 0 HA2 GLY A 8 14.968 -10.110 -10.846 1.00 73.24 H new ATOM 0 HA3 GLY A 8 14.727 -9.194 -9.372 1.00 73.24 H new ATOM 133 N PHE A 9 15.320 -12.315 -8.805 1.00 13.31 N ATOM 134 CA PHE A 9 16.201 -13.254 -8.121 1.00 61.24 C ATOM 135 C PHE A 9 15.834 -14.694 -8.468 1.00 24.34 C ATOM 136 O PHE A 9 14.830 -14.948 -9.132 1.00 54.44 O ATOM 137 CB PHE A 9 16.126 -13.047 -6.607 1.00 44.02 C ATOM 138 CG PHE A 9 14.849 -13.547 -5.996 1.00 30.51 C ATOM 139 CD1 PHE A 9 13.656 -12.875 -6.204 1.00 12.53 C ATOM 140 CD2 PHE A 9 14.842 -14.691 -5.213 1.00 55.31 C ATOM 141 CE1 PHE A 9 12.478 -13.333 -5.643 1.00 4.41 C ATOM 142 CE2 PHE A 9 13.667 -15.154 -4.650 1.00 43.32 C ATOM 143 CZ PHE A 9 12.485 -14.473 -4.864 1.00 75.23 C ATOM 0 H PHE A 9 14.403 -12.693 -9.041 1.00 13.31 H new ATOM 0 HA PHE A 9 17.221 -13.066 -8.456 1.00 61.24 H new ATOM 0 HB2 PHE A 9 16.968 -13.555 -6.137 1.00 44.02 H new ATOM 0 HB3 PHE A 9 16.233 -11.985 -6.388 1.00 44.02 H new ATOM 0 HD1 PHE A 9 13.646 -11.982 -6.812 1.00 12.53 H new ATOM 0 HD2 PHE A 9 15.764 -15.226 -5.041 1.00 55.31 H new ATOM 0 HE1 PHE A 9 11.554 -12.800 -5.814 1.00 4.41 H new ATOM 0 HE2 PHE A 9 13.674 -16.048 -4.043 1.00 43.32 H new ATOM 0 HZ PHE A 9 11.567 -14.832 -4.423 1.00 75.23 H new ATOM 153 N ARG A 10 16.657 -15.634 -8.012 1.00 51.35 N ATOM 154 CA ARG A 10 16.421 -17.048 -8.275 1.00 61.31 C ATOM 155 C ARG A 10 16.110 -17.797 -6.982 1.00 41.23 C ATOM 156 O ARG A 10 16.630 -17.462 -5.918 1.00 45.10 O ATOM 157 CB ARG A 10 17.640 -17.672 -8.958 1.00 33.23 C ATOM 158 CG ARG A 10 17.722 -17.377 -10.446 1.00 54.14 C ATOM 159 CD ARG A 10 18.617 -18.375 -11.164 1.00 0.11 C ATOM 160 NE ARG A 10 20.018 -18.230 -10.777 1.00 32.10 N ATOM 161 CZ ARG A 10 21.011 -18.902 -11.349 1.00 3.44 C ATOM 162 NH1 ARG A 10 20.759 -19.759 -12.328 1.00 21.33 N ATOM 163 NH2 ARG A 10 22.260 -18.715 -10.941 1.00 63.32 N ATOM 0 H ARG A 10 17.492 -15.441 -7.459 1.00 51.35 H new ATOM 0 HA ARG A 10 15.560 -17.130 -8.938 1.00 61.31 H new ATOM 0 HB2 ARG A 10 18.545 -17.305 -8.473 1.00 33.23 H new ATOM 0 HB3 ARG A 10 17.615 -18.752 -8.811 1.00 33.23 H new ATOM 0 HG2 ARG A 10 16.722 -17.406 -10.879 1.00 54.14 H new ATOM 0 HG3 ARG A 10 18.106 -16.368 -10.597 1.00 54.14 H new ATOM 0 HD2 ARG A 10 18.282 -19.388 -10.941 1.00 0.11 H new ATOM 0 HD3 ARG A 10 18.522 -18.238 -12.241 1.00 0.11 H new ATOM 0 HE ARG A 10 20.246 -17.577 -10.027 1.00 32.10 H new ATOM 0 HH11 ARG A 10 19.800 -19.904 -12.644 1.00 21.33 H new ATOM 0 HH12 ARG A 10 21.524 -20.273 -12.765 1.00 21.33 H new ATOM 0 HH21 ARG A 10 22.457 -18.055 -10.188 1.00 63.32 H new ATOM 0 HH22 ARG A 10 23.023 -19.231 -11.380 1.00 63.32 H new ATOM 177 N VAL A 11 15.258 -18.812 -7.083 1.00 14.25 N ATOM 178 CA VAL A 11 14.877 -19.608 -5.922 1.00 64.30 C ATOM 179 C VAL A 11 14.899 -21.098 -6.247 1.00 10.33 C ATOM 180 O VAL A 11 14.428 -21.520 -7.302 1.00 71.12 O ATOM 181 CB VAL A 11 13.475 -19.225 -5.413 1.00 71.25 C ATOM 182 CG1 VAL A 11 12.411 -19.640 -6.418 1.00 33.31 C ATOM 183 CG2 VAL A 11 13.211 -19.855 -4.054 1.00 41.01 C ATOM 0 H VAL A 11 14.819 -19.103 -7.956 1.00 14.25 H new ATOM 0 HA VAL A 11 15.608 -19.398 -5.141 1.00 64.30 H new ATOM 0 HB VAL A 11 13.432 -18.142 -5.300 1.00 71.25 H new ATOM 0 HG11 VAL A 11 11.427 -19.362 -6.042 1.00 33.31 H new ATOM 0 HG12 VAL A 11 12.592 -19.137 -7.368 1.00 33.31 H new ATOM 0 HG13 VAL A 11 12.451 -20.719 -6.565 1.00 33.31 H new ATOM 0 HG21 VAL A 11 12.216 -19.574 -3.710 1.00 41.01 H new ATOM 0 HG22 VAL A 11 13.273 -20.940 -4.138 1.00 41.01 H new ATOM 0 HG23 VAL A 11 13.955 -19.503 -3.339 1.00 41.01 H new ATOM 193 N ALA A 12 15.449 -21.889 -5.332 1.00 32.33 N ATOM 194 CA ALA A 12 15.530 -23.332 -5.519 1.00 73.53 C ATOM 195 C ALA A 12 14.876 -24.074 -4.358 1.00 64.52 C ATOM 196 O ALA A 12 15.269 -23.909 -3.203 1.00 53.01 O ATOM 197 CB ALA A 12 16.980 -23.764 -5.675 1.00 24.05 C ATOM 0 H ALA A 12 15.845 -21.555 -4.454 1.00 32.33 H new ATOM 0 HA ALA A 12 14.987 -23.586 -6.430 1.00 73.53 H new ATOM 0 HB1 ALA A 12 17.025 -24.844 -5.814 1.00 24.05 H new ATOM 0 HB2 ALA A 12 17.416 -23.268 -6.542 1.00 24.05 H new ATOM 0 HB3 ALA A 12 17.540 -23.490 -4.781 1.00 24.05 H new ATOM 203 N VAL A 13 13.877 -24.893 -4.672 1.00 51.42 N ATOM 204 CA VAL A 13 13.169 -25.661 -3.655 1.00 1.52 C ATOM 205 C VAL A 13 13.945 -26.917 -3.276 1.00 31.01 C ATOM 206 O VAL A 13 14.333 -27.703 -4.139 1.00 23.33 O ATOM 207 CB VAL A 13 11.762 -26.064 -4.134 1.00 20.21 C ATOM 208 CG1 VAL A 13 11.843 -26.821 -5.451 1.00 51.41 C ATOM 209 CG2 VAL A 13 11.057 -26.897 -3.074 1.00 2.12 C ATOM 0 H VAL A 13 13.540 -25.042 -5.623 1.00 51.42 H new ATOM 0 HA VAL A 13 13.076 -25.018 -2.780 1.00 1.52 H new ATOM 0 HB VAL A 13 11.179 -25.158 -4.298 1.00 20.21 H new ATOM 0 HG11 VAL A 13 10.839 -27.098 -5.774 1.00 51.41 H new ATOM 0 HG12 VAL A 13 12.306 -26.187 -6.207 1.00 51.41 H new ATOM 0 HG13 VAL A 13 12.442 -27.722 -5.317 1.00 51.41 H new ATOM 0 HG21 VAL A 13 10.064 -27.173 -3.429 1.00 2.12 H new ATOM 0 HG22 VAL A 13 11.636 -27.799 -2.876 1.00 2.12 H new ATOM 0 HG23 VAL A 13 10.966 -26.316 -2.156 1.00 2.12 H new ATOM 219 N GLY A 14 14.167 -27.100 -1.978 1.00 21.12 N ATOM 220 CA GLY A 14 14.896 -28.263 -1.507 1.00 34.53 C ATOM 221 C GLY A 14 14.630 -28.561 -0.044 1.00 73.03 C ATOM 222 O GLY A 14 13.567 -28.229 0.480 1.00 34.12 O ATOM 0 H GLY A 14 13.855 -26.464 -1.244 1.00 21.12 H new ATOM 0 HA2 GLY A 14 14.619 -29.129 -2.107 1.00 34.53 H new ATOM 0 HA3 GLY A 14 15.964 -28.102 -1.654 1.00 34.53 H new ATOM 226 N ARG A 15 15.597 -29.190 0.615 1.00 0.13 N ATOM 227 CA ARG A 15 15.461 -29.535 2.025 1.00 11.23 C ATOM 228 C ARG A 15 16.711 -29.139 2.805 1.00 65.20 C ATOM 229 O ARG A 15 17.828 -29.228 2.293 1.00 11.55 O ATOM 230 CB ARG A 15 15.202 -31.034 2.183 1.00 71.33 C ATOM 231 CG ARG A 15 13.799 -31.456 1.778 1.00 53.30 C ATOM 232 CD ARG A 15 13.647 -31.508 0.266 1.00 41.33 C ATOM 233 NE ARG A 15 12.918 -32.695 -0.171 1.00 30.43 N ATOM 234 CZ ARG A 15 12.945 -33.158 -1.416 1.00 22.35 C ATOM 235 NH1 ARG A 15 13.662 -32.537 -2.342 1.00 11.11 N ATOM 236 NH2 ARG A 15 12.255 -34.245 -1.736 1.00 30.43 N ATOM 0 H ARG A 15 16.483 -29.471 0.195 1.00 0.13 H new ATOM 0 HA ARG A 15 14.612 -28.982 2.428 1.00 11.23 H new ATOM 0 HB2 ARG A 15 15.926 -31.584 1.582 1.00 71.33 H new ATOM 0 HB3 ARG A 15 15.371 -31.316 3.222 1.00 71.33 H new ATOM 0 HG2 ARG A 15 13.576 -32.436 2.201 1.00 53.30 H new ATOM 0 HG3 ARG A 15 13.073 -30.757 2.194 1.00 53.30 H new ATOM 0 HD2 ARG A 15 13.124 -30.615 -0.076 1.00 41.33 H new ATOM 0 HD3 ARG A 15 14.633 -31.497 -0.198 1.00 41.33 H new ATOM 0 HE ARG A 15 12.357 -33.197 0.518 1.00 30.43 H new ATOM 0 HH11 ARG A 15 14.195 -31.702 -2.099 1.00 11.11 H new ATOM 0 HH12 ARG A 15 13.681 -32.895 -3.297 1.00 11.11 H new ATOM 0 HH21 ARG A 15 11.703 -34.726 -1.026 1.00 30.43 H new ATOM 0 HH22 ARG A 15 12.276 -34.600 -2.692 1.00 30.43 H new ATOM 250 N ASP A 16 16.516 -28.703 4.044 1.00 1.33 N ATOM 251 CA ASP A 16 17.628 -28.294 4.895 1.00 12.11 C ATOM 252 C ASP A 16 18.014 -29.411 5.859 1.00 33.32 C ATOM 253 O ASP A 16 17.461 -30.510 5.805 1.00 10.21 O ATOM 254 CB ASP A 16 17.262 -27.032 5.678 1.00 55.12 C ATOM 255 CG ASP A 16 15.862 -27.096 6.257 1.00 10.40 C ATOM 256 OD1 ASP A 16 14.891 -27.012 5.475 1.00 5.32 O ATOM 257 OD2 ASP A 16 15.737 -27.230 7.492 1.00 21.30 O ATOM 0 H ASP A 16 15.598 -28.623 4.482 1.00 1.33 H new ATOM 0 HA ASP A 16 18.483 -28.079 4.254 1.00 12.11 H new ATOM 0 HB2 ASP A 16 17.980 -26.888 6.485 1.00 55.12 H new ATOM 0 HB3 ASP A 16 17.342 -26.165 5.022 1.00 55.12 H new ATOM 262 N SER A 17 18.967 -29.123 6.740 1.00 35.21 N ATOM 263 CA SER A 17 19.430 -30.105 7.713 1.00 21.22 C ATOM 264 C SER A 17 18.314 -30.475 8.686 1.00 43.21 C ATOM 265 O SER A 17 18.300 -31.572 9.243 1.00 74.52 O ATOM 266 CB SER A 17 20.635 -29.561 8.484 1.00 73.41 C ATOM 267 OG SER A 17 21.488 -30.612 8.904 1.00 12.13 O ATOM 0 H SER A 17 19.433 -28.218 6.800 1.00 35.21 H new ATOM 0 HA SER A 17 19.729 -31.003 7.172 1.00 21.22 H new ATOM 0 HB2 SER A 17 21.191 -28.867 7.854 1.00 73.41 H new ATOM 0 HB3 SER A 17 20.292 -28.998 9.352 1.00 73.41 H new ATOM 0 HG SER A 17 22.251 -30.239 9.393 1.00 12.13 H new ATOM 273 N SER A 18 17.381 -29.550 8.885 1.00 0.41 N ATOM 274 CA SER A 18 16.263 -29.775 9.793 1.00 34.22 C ATOM 275 C SER A 18 15.155 -30.568 9.105 1.00 44.20 C ATOM 276 O SER A 18 14.729 -31.613 9.594 1.00 52.10 O ATOM 277 CB SER A 18 15.711 -28.441 10.299 1.00 43.54 C ATOM 278 OG SER A 18 14.300 -28.394 10.181 1.00 31.52 O ATOM 0 H SER A 18 17.377 -28.637 8.429 1.00 0.41 H new ATOM 0 HA SER A 18 16.628 -30.354 10.641 1.00 34.22 H new ATOM 0 HB2 SER A 18 15.997 -28.298 11.341 1.00 43.54 H new ATOM 0 HB3 SER A 18 16.154 -27.622 9.732 1.00 43.54 H new ATOM 0 HG SER A 18 13.973 -27.532 10.513 1.00 31.52 H new ATOM 284 N GLY A 19 14.694 -30.061 7.965 1.00 22.33 N ATOM 285 CA GLY A 19 13.641 -30.734 7.227 1.00 13.55 C ATOM 286 C GLY A 19 12.280 -30.107 7.459 1.00 41.34 C ATOM 287 O GLY A 19 11.333 -30.789 7.851 1.00 23.54 O ATOM 0 H GLY A 19 15.031 -29.197 7.540 1.00 22.33 H new ATOM 0 HA2 GLY A 19 13.873 -30.707 6.162 1.00 13.55 H new ATOM 0 HA3 GLY A 19 13.609 -31.783 7.520 1.00 13.55 H new ATOM 291 N CYS A 20 12.182 -28.804 7.216 1.00 32.44 N ATOM 292 CA CYS A 20 10.927 -28.084 7.403 1.00 30.51 C ATOM 293 C CYS A 20 10.377 -27.595 6.067 1.00 30.23 C ATOM 294 O CYS A 20 9.440 -26.797 6.023 1.00 31.34 O ATOM 295 CB CYS A 20 11.130 -26.900 8.349 1.00 22.33 C ATOM 296 SG CYS A 20 10.167 -27.002 9.876 1.00 25.04 S ATOM 0 H CYS A 20 12.956 -28.225 6.889 1.00 32.44 H new ATOM 0 HA CYS A 20 10.204 -28.771 7.843 1.00 30.51 H new ATOM 0 HB2 CYS A 20 12.188 -26.829 8.603 1.00 22.33 H new ATOM 0 HB3 CYS A 20 10.865 -25.981 7.826 1.00 22.33 H new ATOM 0 HG CYS A 20 9.393 -25.962 9.971 1.00 25.04 H new ATOM 302 N THR A 21 10.967 -28.077 4.978 1.00 71.52 N ATOM 303 CA THR A 21 10.538 -27.687 3.641 1.00 65.55 C ATOM 304 C THR A 21 10.627 -26.177 3.453 1.00 30.24 C ATOM 305 O THR A 21 9.657 -25.454 3.685 1.00 63.13 O ATOM 306 CB THR A 21 9.095 -28.145 3.357 1.00 0.34 C ATOM 307 OG1 THR A 21 8.929 -29.512 3.747 1.00 20.54 O ATOM 308 CG2 THR A 21 8.757 -27.988 1.882 1.00 23.14 C ATOM 0 H THR A 21 11.743 -28.738 4.996 1.00 71.52 H new ATOM 0 HA THR A 21 11.211 -28.178 2.938 1.00 65.55 H new ATOM 0 HB THR A 21 8.418 -27.518 3.937 1.00 0.34 H new ATOM 0 HG1 THR A 21 8.009 -29.795 3.565 1.00 20.54 H new ATOM 0 HG21 THR A 21 7.733 -28.318 1.706 1.00 23.14 H new ATOM 0 HG22 THR A 21 8.855 -26.941 1.596 1.00 23.14 H new ATOM 0 HG23 THR A 21 9.440 -28.593 1.286 1.00 23.14 H new ATOM 316 N THR A 22 11.796 -25.705 3.032 1.00 23.12 N ATOM 317 CA THR A 22 12.012 -24.280 2.814 1.00 35.32 C ATOM 318 C THR A 22 12.871 -24.037 1.579 1.00 2.32 C ATOM 319 O THR A 22 13.618 -24.916 1.147 1.00 52.34 O ATOM 320 CB THR A 22 12.685 -23.621 4.033 1.00 71.03 C ATOM 321 OG1 THR A 22 13.177 -22.324 3.678 1.00 13.33 O ATOM 322 CG2 THR A 22 13.830 -24.480 4.549 1.00 51.55 C ATOM 0 H THR A 22 12.608 -26.289 2.835 1.00 23.12 H new ATOM 0 HA THR A 22 11.030 -23.830 2.664 1.00 35.32 H new ATOM 0 HB THR A 22 11.941 -23.523 4.823 1.00 71.03 H new ATOM 0 HG1 THR A 22 13.602 -21.911 4.458 1.00 13.33 H new ATOM 0 HG21 THR A 22 14.290 -23.994 5.410 1.00 51.55 H new ATOM 0 HG22 THR A 22 13.447 -25.457 4.845 1.00 51.55 H new ATOM 0 HG23 THR A 22 14.574 -24.605 3.762 1.00 51.55 H new ATOM 330 N LEU A 23 12.763 -22.839 1.016 1.00 54.35 N ATOM 331 CA LEU A 23 13.532 -22.479 -0.171 1.00 15.22 C ATOM 332 C LEU A 23 14.738 -21.622 0.201 1.00 34.32 C ATOM 333 O LEU A 23 14.775 -21.016 1.272 1.00 35.20 O ATOM 334 CB LEU A 23 12.647 -21.728 -1.168 1.00 32.42 C ATOM 335 CG LEU A 23 11.807 -22.596 -2.106 1.00 30.44 C ATOM 336 CD1 LEU A 23 11.009 -23.621 -1.314 1.00 3.34 C ATOM 337 CD2 LEU A 23 10.880 -21.731 -2.947 1.00 3.43 C ATOM 0 H LEU A 23 12.151 -22.100 1.362 1.00 54.35 H new ATOM 0 HA LEU A 23 13.891 -23.398 -0.634 1.00 15.22 H new ATOM 0 HB2 LEU A 23 11.975 -21.077 -0.608 1.00 32.42 H new ATOM 0 HB3 LEU A 23 13.283 -21.083 -1.774 1.00 32.42 H new ATOM 0 HG LEU A 23 12.481 -23.129 -2.776 1.00 30.44 H new ATOM 0 HD11 LEU A 23 10.418 -24.229 -1.998 1.00 3.34 H new ATOM 0 HD12 LEU A 23 11.692 -24.262 -0.756 1.00 3.34 H new ATOM 0 HD13 LEU A 23 10.345 -23.107 -0.619 1.00 3.34 H new ATOM 0 HD21 LEU A 23 10.290 -22.366 -3.608 1.00 3.43 H new ATOM 0 HD22 LEU A 23 10.213 -21.170 -2.293 1.00 3.43 H new ATOM 0 HD23 LEU A 23 11.472 -21.037 -3.543 1.00 3.43 H new ATOM 349 N SER A 24 15.722 -21.575 -0.691 1.00 75.42 N ATOM 350 CA SER A 24 16.930 -20.794 -0.456 1.00 61.11 C ATOM 351 C SER A 24 17.134 -19.763 -1.562 1.00 65.43 C ATOM 352 O SER A 24 16.770 -19.994 -2.716 1.00 31.34 O ATOM 353 CB SER A 24 18.149 -21.715 -0.370 1.00 1.43 C ATOM 354 OG SER A 24 19.157 -21.151 0.452 1.00 53.32 O ATOM 0 H SER A 24 15.706 -22.069 -1.583 1.00 75.42 H new ATOM 0 HA SER A 24 16.814 -20.267 0.491 1.00 61.11 H new ATOM 0 HB2 SER A 24 17.849 -22.684 0.030 1.00 1.43 H new ATOM 0 HB3 SER A 24 18.547 -21.891 -1.369 1.00 1.43 H new ATOM 0 HG SER A 24 19.925 -21.759 0.492 1.00 53.32 H new ATOM 360 N ILE A 25 17.719 -18.626 -1.202 1.00 25.22 N ATOM 361 CA ILE A 25 17.974 -17.560 -2.163 1.00 74.30 C ATOM 362 C ILE A 25 19.398 -17.635 -2.703 1.00 11.45 C ATOM 363 O ILE A 25 20.353 -17.784 -1.941 1.00 10.52 O ATOM 364 CB ILE A 25 17.745 -16.172 -1.537 1.00 44.32 C ATOM 365 CG1 ILE A 25 16.411 -16.138 -0.789 1.00 23.52 C ATOM 366 CG2 ILE A 25 17.784 -15.094 -2.611 1.00 31.25 C ATOM 367 CD1 ILE A 25 15.215 -16.415 -1.673 1.00 45.30 C ATOM 0 H ILE A 25 18.026 -18.419 -0.251 1.00 25.22 H new ATOM 0 HA ILE A 25 17.270 -17.699 -2.984 1.00 74.30 H new ATOM 0 HB ILE A 25 18.545 -15.976 -0.823 1.00 44.32 H new ATOM 0 HG12 ILE A 25 16.436 -16.873 0.015 1.00 23.52 H new ATOM 0 HG13 ILE A 25 16.290 -15.160 -0.323 1.00 23.52 H new ATOM 0 HG21 ILE A 25 17.621 -14.118 -2.153 1.00 31.25 H new ATOM 0 HG22 ILE A 25 18.757 -15.106 -3.103 1.00 31.25 H new ATOM 0 HG23 ILE A 25 17.003 -15.285 -3.347 1.00 31.25 H new ATOM 0 HD11 ILE A 25 14.304 -16.375 -1.076 1.00 45.30 H new ATOM 0 HD12 ILE A 25 15.165 -15.665 -2.463 1.00 45.30 H new ATOM 0 HD13 ILE A 25 15.313 -17.405 -2.118 1.00 45.30 H new ATOM 379 N GLN A 26 19.532 -17.528 -4.021 1.00 10.05 N ATOM 380 CA GLN A 26 20.840 -17.582 -4.662 1.00 4.03 C ATOM 381 C GLN A 26 21.250 -16.207 -5.180 1.00 31.32 C ATOM 382 O GLN A 26 22.415 -15.978 -5.504 1.00 14.14 O ATOM 383 CB GLN A 26 20.827 -18.590 -5.812 1.00 20.42 C ATOM 384 CG GLN A 26 20.808 -20.039 -5.351 1.00 10.22 C ATOM 385 CD GLN A 26 19.441 -20.679 -5.495 1.00 24.22 C ATOM 386 OE1 GLN A 26 18.859 -21.152 -4.519 1.00 31.44 O ATOM 387 NE2 GLN A 26 18.922 -20.697 -6.717 1.00 34.24 N ATOM 0 H GLN A 26 18.751 -17.403 -4.665 1.00 10.05 H new ATOM 0 HA GLN A 26 21.568 -17.901 -3.917 1.00 4.03 H new ATOM 0 HB2 GLN A 26 19.953 -18.405 -6.437 1.00 20.42 H new ATOM 0 HB3 GLN A 26 21.706 -18.428 -6.436 1.00 20.42 H new ATOM 0 HG2 GLN A 26 21.535 -20.610 -5.929 1.00 10.22 H new ATOM 0 HG3 GLN A 26 21.120 -20.089 -4.308 1.00 10.22 H new ATOM 0 HE21 GLN A 26 19.440 -20.293 -7.497 1.00 34.24 H new ATOM 0 HE22 GLN A 26 18.005 -21.115 -6.876 1.00 34.24 H new ATOM 396 N GLU A 27 20.284 -15.297 -5.255 1.00 41.14 N ATOM 397 CA GLU A 27 20.545 -13.945 -5.736 1.00 24.14 C ATOM 398 C GLU A 27 20.100 -12.907 -4.709 1.00 72.42 C ATOM 399 O GLU A 27 19.783 -13.243 -3.568 1.00 1.11 O ATOM 400 CB GLU A 27 19.827 -13.705 -7.065 1.00 42.41 C ATOM 401 CG GLU A 27 20.737 -13.178 -8.162 1.00 2.41 C ATOM 402 CD GLU A 27 21.346 -14.287 -8.997 1.00 45.44 C ATOM 403 OE1 GLU A 27 20.578 -15.049 -9.621 1.00 25.45 O ATOM 404 OE2 GLU A 27 22.590 -14.392 -9.028 1.00 63.21 O ATOM 0 H GLU A 27 19.315 -15.471 -4.989 1.00 41.14 H new ATOM 0 HA GLU A 27 21.619 -13.842 -5.889 1.00 24.14 H new ATOM 0 HB2 GLU A 27 19.374 -14.639 -7.398 1.00 42.41 H new ATOM 0 HB3 GLU A 27 19.015 -12.996 -6.907 1.00 42.41 H new ATOM 0 HG2 GLU A 27 20.170 -12.510 -8.810 1.00 2.41 H new ATOM 0 HG3 GLU A 27 21.535 -12.586 -7.714 1.00 2.41 H new ATOM 411 N VAL A 28 20.079 -11.645 -5.124 1.00 14.30 N ATOM 412 CA VAL A 28 19.672 -10.557 -4.242 1.00 73.12 C ATOM 413 C VAL A 28 18.373 -9.918 -4.721 1.00 42.10 C ATOM 414 O VAL A 28 18.239 -9.558 -5.891 1.00 43.21 O ATOM 415 CB VAL A 28 20.761 -9.472 -4.149 1.00 63.52 C ATOM 416 CG1 VAL A 28 20.541 -8.598 -2.924 1.00 65.21 C ATOM 417 CG2 VAL A 28 22.143 -10.107 -4.120 1.00 64.33 C ATOM 0 H VAL A 28 20.339 -11.350 -6.065 1.00 14.30 H new ATOM 0 HA VAL A 28 19.518 -10.991 -3.254 1.00 73.12 H new ATOM 0 HB VAL A 28 20.695 -8.839 -5.034 1.00 63.52 H new ATOM 0 HG11 VAL A 28 21.320 -7.837 -2.875 1.00 65.21 H new ATOM 0 HG12 VAL A 28 19.566 -8.115 -2.992 1.00 65.21 H new ATOM 0 HG13 VAL A 28 20.579 -9.214 -2.026 1.00 65.21 H new ATOM 0 HG21 VAL A 28 22.901 -9.326 -4.054 1.00 64.33 H new ATOM 0 HG22 VAL A 28 22.223 -10.765 -3.254 1.00 64.33 H new ATOM 0 HG23 VAL A 28 22.297 -10.686 -5.031 1.00 64.33 H new ATOM 427 N THR A 29 17.417 -9.779 -3.808 1.00 54.42 N ATOM 428 CA THR A 29 16.128 -9.183 -4.137 1.00 34.23 C ATOM 429 C THR A 29 15.868 -7.936 -3.299 1.00 24.31 C ATOM 430 O THR A 29 14.963 -7.157 -3.594 1.00 73.30 O ATOM 431 CB THR A 29 14.976 -10.182 -3.919 1.00 74.44 C ATOM 432 OG1 THR A 29 13.717 -9.506 -4.011 1.00 73.22 O ATOM 433 CG2 THR A 29 15.095 -10.860 -2.563 1.00 4.24 C ATOM 0 H THR A 29 17.511 -10.071 -2.835 1.00 54.42 H new ATOM 0 HA THR A 29 16.167 -8.908 -5.191 1.00 34.23 H new ATOM 0 HB THR A 29 15.036 -10.945 -4.695 1.00 74.44 H new ATOM 0 HG1 THR A 29 13.869 -8.545 -4.129 1.00 73.22 H new ATOM 0 HG21 THR A 29 14.270 -11.561 -2.433 1.00 4.24 H new ATOM 0 HG22 THR A 29 16.041 -11.399 -2.507 1.00 4.24 H new ATOM 0 HG23 THR A 29 15.059 -10.107 -1.775 1.00 4.24 H new ATOM 441 N GLN A 30 16.670 -7.754 -2.254 1.00 55.02 N ATOM 442 CA GLN A 30 16.526 -6.600 -1.374 1.00 35.51 C ATOM 443 C GLN A 30 17.305 -5.405 -1.911 1.00 65.01 C ATOM 444 O GLN A 30 17.403 -4.367 -1.255 1.00 74.32 O ATOM 445 CB GLN A 30 17.006 -6.946 0.037 1.00 51.33 C ATOM 446 CG GLN A 30 15.882 -7.332 0.985 1.00 50.33 C ATOM 447 CD GLN A 30 15.333 -8.717 0.705 1.00 13.23 C ATOM 448 OE1 GLN A 30 16.221 -9.701 0.624 1.00 4.22 O flip ATOM 449 NE2 GLN A 30 14.123 -8.901 0.564 1.00 53.34 N flip ATOM 0 H GLN A 30 17.425 -8.390 -1.997 1.00 55.02 H new ATOM 0 HA GLN A 30 15.470 -6.333 -1.336 1.00 35.51 H new ATOM 0 HB2 GLN A 30 17.719 -7.769 -0.022 1.00 51.33 H new ATOM 0 HB3 GLN A 30 17.540 -6.090 0.450 1.00 51.33 H new ATOM 0 HG2 GLN A 30 16.247 -7.291 2.011 1.00 50.33 H new ATOM 0 HG3 GLN A 30 15.076 -6.602 0.903 1.00 50.33 H new ATOM 0 HE21 GLN A 30 13.476 -8.116 0.634 1.00 53.34 H new ATOM 0 HE22 GLN A 30 13.768 -9.839 0.377 1.00 53.34 H new ATOM 458 N THR A 31 17.861 -5.557 -3.109 1.00 61.13 N ATOM 459 CA THR A 31 18.634 -4.491 -3.734 1.00 70.23 C ATOM 460 C THR A 31 17.919 -3.942 -4.964 1.00 24.22 C ATOM 461 O THR A 31 18.528 -3.275 -5.801 1.00 15.11 O ATOM 462 CB THR A 31 20.036 -4.980 -4.145 1.00 32.21 C ATOM 463 OG1 THR A 31 19.963 -6.327 -4.625 1.00 65.32 O ATOM 464 CG2 THR A 31 21.000 -4.906 -2.971 1.00 22.12 C ATOM 0 H THR A 31 17.790 -6.409 -3.666 1.00 61.13 H new ATOM 0 HA THR A 31 18.737 -3.699 -2.993 1.00 70.23 H new ATOM 0 HB THR A 31 20.405 -4.331 -4.939 1.00 32.21 H new ATOM 0 HG1 THR A 31 20.858 -6.630 -4.886 1.00 65.32 H new ATOM 0 HG21 THR A 31 21.983 -5.256 -3.285 1.00 22.12 H new ATOM 0 HG22 THR A 31 21.075 -3.875 -2.626 1.00 22.12 H new ATOM 0 HG23 THR A 31 20.633 -5.534 -2.159 1.00 22.12 H new ATOM 472 N TYR A 32 16.626 -4.226 -5.066 1.00 71.44 N ATOM 473 CA TYR A 32 15.829 -3.762 -6.195 1.00 74.14 C ATOM 474 C TYR A 32 14.647 -2.922 -5.719 1.00 61.53 C ATOM 475 O TYR A 32 14.102 -3.151 -4.639 1.00 30.01 O ATOM 476 CB TYR A 32 15.326 -4.952 -7.015 1.00 51.52 C ATOM 477 CG TYR A 32 15.777 -4.926 -8.458 1.00 62.51 C ATOM 478 CD1 TYR A 32 16.955 -5.552 -8.849 1.00 11.21 C ATOM 479 CD2 TYR A 32 15.027 -4.277 -9.430 1.00 52.13 C ATOM 480 CE1 TYR A 32 17.372 -5.531 -10.166 1.00 33.01 C ATOM 481 CE2 TYR A 32 15.435 -4.252 -10.750 1.00 20.33 C ATOM 482 CZ TYR A 32 16.608 -4.880 -11.113 1.00 21.54 C ATOM 483 OH TYR A 32 17.019 -4.857 -12.426 1.00 10.03 O ATOM 0 H TYR A 32 16.107 -4.775 -4.381 1.00 71.44 H new ATOM 0 HA TYR A 32 16.465 -3.139 -6.824 1.00 74.14 H new ATOM 0 HB2 TYR A 32 15.673 -5.875 -6.551 1.00 51.52 H new ATOM 0 HB3 TYR A 32 14.237 -4.970 -6.984 1.00 51.52 H new ATOM 0 HD1 TYR A 32 17.555 -6.064 -8.111 1.00 11.21 H new ATOM 0 HD2 TYR A 32 14.109 -3.783 -9.149 1.00 52.13 H new ATOM 0 HE1 TYR A 32 18.291 -6.021 -10.453 1.00 33.01 H new ATOM 0 HE2 TYR A 32 14.839 -3.744 -11.493 1.00 20.33 H new ATOM 0 HH TYR A 32 16.368 -4.359 -12.964 1.00 10.03 H new ATOM 493 N THR A 33 14.255 -1.948 -6.535 1.00 31.33 N ATOM 494 CA THR A 33 13.139 -1.073 -6.199 1.00 31.33 C ATOM 495 C THR A 33 12.589 -0.381 -7.441 1.00 24.50 C ATOM 496 O THR A 33 13.336 -0.050 -8.360 1.00 44.34 O ATOM 497 CB THR A 33 13.553 -0.004 -5.170 1.00 44.15 C ATOM 498 OG1 THR A 33 14.350 -0.598 -4.140 1.00 21.13 O ATOM 499 CG2 THR A 33 12.330 0.658 -4.555 1.00 33.33 C ATOM 0 H THR A 33 14.694 -1.746 -7.433 1.00 31.33 H new ATOM 0 HA THR A 33 12.363 -1.703 -5.765 1.00 31.33 H new ATOM 0 HB THR A 33 14.137 0.758 -5.686 1.00 44.15 H new ATOM 0 HG1 THR A 33 14.045 -1.515 -3.978 1.00 21.13 H new ATOM 0 HG21 THR A 33 12.648 1.409 -3.832 1.00 33.33 H new ATOM 0 HG22 THR A 33 11.742 1.135 -5.339 1.00 33.33 H new ATOM 0 HG23 THR A 33 11.722 -0.095 -4.053 1.00 33.33 H new ATOM 507 N GLY A 34 11.277 -0.166 -7.461 1.00 44.13 N ATOM 508 CA GLY A 34 10.650 0.486 -8.596 1.00 44.30 C ATOM 509 C GLY A 34 9.303 1.086 -8.248 1.00 14.31 C ATOM 510 O GLY A 34 8.927 2.133 -8.775 1.00 0.54 O ATOM 0 H GLY A 34 10.638 -0.432 -6.712 1.00 44.13 H new ATOM 0 HA2 GLY A 34 11.308 1.270 -8.970 1.00 44.30 H new ATOM 0 HA3 GLY A 34 10.525 -0.236 -9.403 1.00 44.30 H new ATOM 514 N SER A 35 8.572 0.421 -7.359 1.00 60.41 N ATOM 515 CA SER A 35 7.255 0.892 -6.945 1.00 65.33 C ATOM 516 C SER A 35 7.312 1.505 -5.549 1.00 72.43 C ATOM 517 O SER A 35 7.949 0.963 -4.647 1.00 72.21 O ATOM 518 CB SER A 35 6.248 -0.259 -6.969 1.00 60.40 C ATOM 519 OG SER A 35 6.236 -0.901 -8.233 1.00 12.53 O ATOM 0 H SER A 35 8.869 -0.446 -6.911 1.00 60.41 H new ATOM 0 HA SER A 35 6.933 1.661 -7.647 1.00 65.33 H new ATOM 0 HB2 SER A 35 6.499 -0.982 -6.193 1.00 60.40 H new ATOM 0 HB3 SER A 35 5.252 0.120 -6.741 1.00 60.40 H new ATOM 0 HG SER A 35 5.585 -1.634 -8.222 1.00 12.53 H new ATOM 525 N ASN A 36 6.640 2.639 -5.380 1.00 70.14 N ATOM 526 CA ASN A 36 6.613 3.327 -4.095 1.00 3.21 C ATOM 527 C ASN A 36 8.028 3.630 -3.610 1.00 70.43 C ATOM 528 O ASN A 36 8.281 3.703 -2.409 1.00 5.03 O ATOM 529 CB ASN A 36 5.876 2.481 -3.055 1.00 51.10 C ATOM 530 CG ASN A 36 4.372 2.660 -3.126 1.00 34.51 C ATOM 531 OD1 ASN A 36 3.688 1.969 -3.882 1.00 44.24 O ATOM 532 ND2 ASN A 36 3.848 3.590 -2.336 1.00 25.23 N ATOM 0 H ASN A 36 6.107 3.101 -6.117 1.00 70.14 H new ATOM 0 HA ASN A 36 6.083 4.270 -4.228 1.00 3.21 H new ATOM 0 HB2 ASN A 36 6.122 1.430 -3.205 1.00 51.10 H new ATOM 0 HB3 ASN A 36 6.225 2.750 -2.058 1.00 51.10 H new ATOM 0 HD21 ASN A 36 2.841 3.755 -2.340 1.00 25.23 H new ATOM 0 HD22 ASN A 36 4.452 4.140 -1.725 1.00 25.23 H new ATOM 539 N GLY A 37 8.947 3.805 -4.555 1.00 72.14 N ATOM 540 CA GLY A 37 10.324 4.098 -4.205 1.00 64.14 C ATOM 541 C GLY A 37 11.166 4.457 -5.414 1.00 72.10 C ATOM 542 O GLY A 37 11.631 5.589 -5.541 1.00 72.24 O ATOM 0 H GLY A 37 8.762 3.749 -5.557 1.00 72.14 H new ATOM 0 HA2 GLY A 37 10.347 4.922 -3.492 1.00 64.14 H new ATOM 0 HA3 GLY A 37 10.761 3.233 -3.706 1.00 64.14 H new ATOM 546 N GLY A 38 11.364 3.489 -6.304 1.00 52.22 N ATOM 547 CA GLY A 38 12.157 3.728 -7.496 1.00 54.50 C ATOM 548 C GLY A 38 13.602 4.055 -7.175 1.00 73.22 C ATOM 549 O GLY A 38 13.982 5.223 -7.115 1.00 4.43 O ATOM 0 H GLY A 38 10.990 2.544 -6.221 1.00 52.22 H new ATOM 0 HA2 GLY A 38 12.121 2.846 -8.136 1.00 54.50 H new ATOM 0 HA3 GLY A 38 11.719 4.550 -8.062 1.00 54.50 H new ATOM 553 N ALA A 39 14.408 3.019 -6.967 1.00 44.35 N ATOM 554 CA ALA A 39 15.820 3.202 -6.651 1.00 74.34 C ATOM 555 C ALA A 39 16.515 1.860 -6.451 1.00 22.40 C ATOM 556 O ALA A 39 16.984 1.550 -5.355 1.00 51.04 O ATOM 557 CB ALA A 39 15.975 4.069 -5.411 1.00 52.21 C ATOM 0 H ALA A 39 14.108 2.045 -7.011 1.00 44.35 H new ATOM 0 HA ALA A 39 16.294 3.705 -7.494 1.00 74.34 H new ATOM 0 HB1 ALA A 39 17.034 4.197 -5.187 1.00 52.21 H new ATOM 0 HB2 ALA A 39 15.521 5.044 -5.590 1.00 52.21 H new ATOM 0 HB3 ALA A 39 15.481 3.588 -4.567 1.00 52.21 H new ATOM 563 N ASP A 40 16.578 1.067 -7.515 1.00 21.41 N ATOM 564 CA ASP A 40 17.217 -0.243 -7.456 1.00 2.03 C ATOM 565 C ASP A 40 18.725 -0.104 -7.269 1.00 52.00 C ATOM 566 O ASP A 40 19.433 0.353 -8.167 1.00 51.23 O ATOM 567 CB ASP A 40 16.919 -1.037 -8.728 1.00 64.43 C ATOM 568 CG ASP A 40 17.429 -0.344 -9.976 1.00 54.43 C ATOM 569 OD1 ASP A 40 16.789 0.636 -10.414 1.00 71.21 O ATOM 570 OD2 ASP A 40 18.467 -0.779 -10.515 1.00 23.51 O ATOM 0 H ASP A 40 16.194 1.308 -8.429 1.00 21.41 H new ATOM 0 HA ASP A 40 16.811 -0.780 -6.599 1.00 2.03 H new ATOM 0 HB2 ASP A 40 17.375 -2.024 -8.652 1.00 64.43 H new ATOM 0 HB3 ASP A 40 15.843 -1.189 -8.814 1.00 64.43 H new ATOM 575 N LEU A 41 19.210 -0.500 -6.097 1.00 54.03 N ATOM 576 CA LEU A 41 20.634 -0.419 -5.792 1.00 13.13 C ATOM 577 C LEU A 41 20.974 -1.249 -4.558 1.00 62.45 C ATOM 578 O LEU A 41 20.186 -2.090 -4.127 1.00 55.12 O ATOM 579 CB LEU A 41 21.046 1.037 -5.569 1.00 54.55 C ATOM 580 CG LEU A 41 22.387 1.455 -6.173 1.00 51.21 C ATOM 581 CD1 LEU A 41 22.238 1.741 -7.659 1.00 74.24 C ATOM 582 CD2 LEU A 41 22.942 2.672 -5.448 1.00 5.04 C ATOM 0 H LEU A 41 18.638 -0.880 -5.343 1.00 54.03 H new ATOM 0 HA LEU A 41 21.186 -0.821 -6.642 1.00 13.13 H new ATOM 0 HB2 LEU A 41 20.269 1.681 -5.980 1.00 54.55 H new ATOM 0 HB3 LEU A 41 21.080 1.224 -4.496 1.00 54.55 H new ATOM 0 HG LEU A 41 23.090 0.631 -6.051 1.00 51.21 H new ATOM 0 HD11 LEU A 41 23.203 2.037 -8.071 1.00 74.24 H new ATOM 0 HD12 LEU A 41 21.885 0.844 -8.169 1.00 74.24 H new ATOM 0 HD13 LEU A 41 21.519 2.547 -7.804 1.00 74.24 H new ATOM 0 HD21 LEU A 41 23.897 2.955 -5.891 1.00 5.04 H new ATOM 0 HD22 LEU A 41 22.240 3.501 -5.538 1.00 5.04 H new ATOM 0 HD23 LEU A 41 23.088 2.433 -4.395 1.00 5.04 H new ATOM 594 N MET A 42 22.153 -1.006 -3.995 1.00 33.25 N ATOM 595 CA MET A 42 22.596 -1.730 -2.808 1.00 53.43 C ATOM 596 C MET A 42 22.667 -0.801 -1.600 1.00 42.13 C ATOM 597 O MET A 42 23.439 0.157 -1.587 1.00 14.42 O ATOM 598 CB MET A 42 23.963 -2.369 -3.056 1.00 21.50 C ATOM 599 CG MET A 42 24.565 -3.015 -1.819 1.00 30.44 C ATOM 600 SD MET A 42 25.864 -2.011 -1.073 1.00 61.52 S ATOM 601 CE MET A 42 27.261 -2.442 -2.108 1.00 71.44 C ATOM 0 H MET A 42 22.818 -0.314 -4.341 1.00 33.25 H new ATOM 0 HA MET A 42 21.869 -2.515 -2.598 1.00 53.43 H new ATOM 0 HB2 MET A 42 23.867 -3.122 -3.839 1.00 21.50 H new ATOM 0 HB3 MET A 42 24.649 -1.608 -3.429 1.00 21.50 H new ATOM 0 HG2 MET A 42 23.778 -3.188 -1.085 1.00 30.44 H new ATOM 0 HG3 MET A 42 24.973 -3.990 -2.085 1.00 30.44 H new ATOM 0 HE1 MET A 42 28.144 -1.899 -1.771 1.00 71.44 H new ATOM 0 HE2 MET A 42 27.446 -3.514 -2.041 1.00 71.44 H new ATOM 0 HE3 MET A 42 27.044 -2.175 -3.142 1.00 71.44 H new ATOM 611 N GLY A 43 21.857 -1.092 -0.587 1.00 1.32 N ATOM 612 CA GLY A 43 21.844 -0.273 0.611 1.00 4.32 C ATOM 613 C GLY A 43 21.140 -0.951 1.770 1.00 40.24 C ATOM 614 O GLY A 43 21.757 -1.322 2.768 1.00 4.31 O ATOM 0 H GLY A 43 21.210 -1.880 -0.574 1.00 1.32 H new ATOM 0 HA2 GLY A 43 22.869 -0.040 0.899 1.00 4.32 H new ATOM 0 HA3 GLY A 43 21.350 0.674 0.394 1.00 4.32 H new ATOM 618 N PRO A 44 19.815 -1.120 1.645 1.00 43.15 N ATOM 619 CA PRO A 44 18.997 -1.758 2.681 1.00 44.55 C ATOM 620 C PRO A 44 19.276 -3.252 2.801 1.00 53.03 C ATOM 621 O PRO A 44 19.125 -3.837 3.873 1.00 54.31 O ATOM 622 CB PRO A 44 17.564 -1.517 2.199 1.00 64.51 C ATOM 623 CG PRO A 44 17.683 -1.359 0.722 1.00 13.43 C ATOM 624 CD PRO A 44 19.014 -0.702 0.482 1.00 60.22 C ATOM 0 HA PRO A 44 19.202 -1.351 3.671 1.00 44.55 H new ATOM 0 HB2 PRO A 44 16.914 -2.353 2.457 1.00 64.51 H new ATOM 0 HB3 PRO A 44 17.136 -0.627 2.659 1.00 64.51 H new ATOM 0 HG2 PRO A 44 17.629 -2.325 0.221 1.00 13.43 H new ATOM 0 HG3 PRO A 44 16.870 -0.749 0.328 1.00 13.43 H new ATOM 0 HD2 PRO A 44 19.462 -1.033 -0.455 1.00 60.22 H new ATOM 0 HD3 PRO A 44 18.923 0.383 0.426 1.00 60.22 H new ATOM 632 N ALA A 45 19.683 -3.864 1.694 1.00 63.22 N ATOM 633 CA ALA A 45 19.985 -5.290 1.676 1.00 21.14 C ATOM 634 C ALA A 45 21.273 -5.588 2.436 1.00 2.13 C ATOM 635 O ALA A 45 21.322 -6.499 3.263 1.00 74.11 O ATOM 636 CB ALA A 45 20.088 -5.790 0.243 1.00 32.42 C ATOM 0 H ALA A 45 19.811 -3.394 0.798 1.00 63.22 H new ATOM 0 HA ALA A 45 19.170 -5.815 2.174 1.00 21.14 H new ATOM 0 HB1 ALA A 45 20.314 -6.856 0.245 1.00 32.42 H new ATOM 0 HB2 ALA A 45 19.142 -5.621 -0.270 1.00 32.42 H new ATOM 0 HB3 ALA A 45 20.883 -5.252 -0.274 1.00 32.42 H new ATOM 642 N PHE A 46 22.315 -4.815 2.151 1.00 45.43 N ATOM 643 CA PHE A 46 23.605 -4.997 2.806 1.00 2.04 C ATOM 644 C PHE A 46 23.551 -4.522 4.255 1.00 12.43 C ATOM 645 O PHE A 46 24.344 -4.953 5.091 1.00 3.43 O ATOM 646 CB PHE A 46 24.698 -4.239 2.050 1.00 53.33 C ATOM 647 CG PHE A 46 25.855 -5.104 1.641 1.00 22.32 C ATOM 648 CD1 PHE A 46 27.151 -4.764 1.995 1.00 52.31 C ATOM 649 CD2 PHE A 46 25.648 -6.258 0.903 1.00 74.31 C ATOM 650 CE1 PHE A 46 28.218 -5.558 1.621 1.00 22.30 C ATOM 651 CE2 PHE A 46 26.711 -7.057 0.527 1.00 51.14 C ATOM 652 CZ PHE A 46 27.998 -6.706 0.885 1.00 51.11 C ATOM 0 H PHE A 46 22.292 -4.056 1.470 1.00 45.43 H new ATOM 0 HA PHE A 46 23.840 -6.061 2.799 1.00 2.04 H new ATOM 0 HB2 PHE A 46 24.264 -3.783 1.160 1.00 53.33 H new ATOM 0 HB3 PHE A 46 25.066 -3.427 2.677 1.00 53.33 H new ATOM 0 HD1 PHE A 46 27.329 -3.867 2.570 1.00 52.31 H new ATOM 0 HD2 PHE A 46 24.644 -6.536 0.618 1.00 74.31 H new ATOM 0 HE1 PHE A 46 29.223 -5.281 1.904 1.00 22.30 H new ATOM 0 HE2 PHE A 46 26.536 -7.955 -0.046 1.00 51.14 H new ATOM 0 HZ PHE A 46 28.830 -7.328 0.590 1.00 51.11 H new ATOM 662 N ALA A 47 22.609 -3.630 4.544 1.00 13.22 N ATOM 663 CA ALA A 47 22.449 -3.096 5.891 1.00 21.42 C ATOM 664 C ALA A 47 21.823 -4.131 6.821 1.00 44.23 C ATOM 665 O ALA A 47 22.163 -4.204 8.001 1.00 32.13 O ATOM 666 CB ALA A 47 21.604 -1.831 5.861 1.00 22.43 C ATOM 0 H ALA A 47 21.945 -3.262 3.863 1.00 13.22 H new ATOM 0 HA ALA A 47 23.438 -2.850 6.277 1.00 21.42 H new ATOM 0 HB1 ALA A 47 21.493 -1.444 6.874 1.00 22.43 H new ATOM 0 HB2 ALA A 47 22.092 -1.082 5.237 1.00 22.43 H new ATOM 0 HB3 ALA A 47 20.621 -2.060 5.450 1.00 22.43 H new ATOM 672 N ALA A 48 20.908 -4.928 6.280 1.00 14.12 N ATOM 673 CA ALA A 48 20.236 -5.959 7.061 1.00 34.03 C ATOM 674 C ALA A 48 21.037 -7.257 7.062 1.00 14.40 C ATOM 675 O ALA A 48 20.890 -8.088 7.957 1.00 12.42 O ATOM 676 CB ALA A 48 18.834 -6.202 6.520 1.00 4.22 C ATOM 0 H ALA A 48 20.615 -4.880 5.304 1.00 14.12 H new ATOM 0 HA ALA A 48 20.161 -5.608 8.090 1.00 34.03 H new ATOM 0 HB1 ALA A 48 18.344 -6.974 7.113 1.00 4.22 H new ATOM 0 HB2 ALA A 48 18.257 -5.279 6.578 1.00 4.22 H new ATOM 0 HB3 ALA A 48 18.896 -6.527 5.481 1.00 4.22 H new ATOM 682 N GLY A 49 21.884 -7.424 6.051 1.00 25.15 N ATOM 683 CA GLY A 49 22.696 -8.624 5.955 1.00 55.43 C ATOM 684 C GLY A 49 22.185 -9.585 4.900 1.00 61.12 C ATOM 685 O GLY A 49 22.611 -10.740 4.843 1.00 11.50 O ATOM 0 H GLY A 49 22.023 -6.751 5.297 1.00 25.15 H new ATOM 0 HA2 GLY A 49 23.724 -8.346 5.722 1.00 55.43 H new ATOM 0 HA3 GLY A 49 22.713 -9.126 6.922 1.00 55.43 H new ATOM 689 N LEU A 50 21.269 -9.111 4.063 1.00 42.52 N ATOM 690 CA LEU A 50 20.698 -9.937 3.005 1.00 42.11 C ATOM 691 C LEU A 50 21.739 -10.247 1.934 1.00 25.13 C ATOM 692 O LEU A 50 22.176 -9.358 1.203 1.00 73.24 O ATOM 693 CB LEU A 50 19.495 -9.233 2.374 1.00 65.00 C ATOM 694 CG LEU A 50 18.170 -9.367 3.124 1.00 11.13 C ATOM 695 CD1 LEU A 50 17.752 -10.826 3.214 1.00 61.53 C ATOM 696 CD2 LEU A 50 18.279 -8.756 4.514 1.00 43.44 C ATOM 0 H LEU A 50 20.906 -8.159 4.096 1.00 42.52 H new ATOM 0 HA LEU A 50 20.370 -10.877 3.449 1.00 42.11 H new ATOM 0 HB2 LEU A 50 19.729 -8.173 2.278 1.00 65.00 H new ATOM 0 HB3 LEU A 50 19.359 -9.623 1.365 1.00 65.00 H new ATOM 0 HG LEU A 50 17.405 -8.824 2.569 1.00 11.13 H new ATOM 0 HD11 LEU A 50 16.807 -10.901 3.751 1.00 61.53 H new ATOM 0 HD12 LEU A 50 17.632 -11.233 2.210 1.00 61.53 H new ATOM 0 HD13 LEU A 50 18.517 -11.392 3.746 1.00 61.53 H new ATOM 0 HD21 LEU A 50 17.326 -8.861 5.033 1.00 43.44 H new ATOM 0 HD22 LEU A 50 19.058 -9.270 5.077 1.00 43.44 H new ATOM 0 HD23 LEU A 50 18.531 -7.699 4.428 1.00 43.44 H new ATOM 708 N ARG A 51 22.132 -11.514 1.847 1.00 11.22 N ATOM 709 CA ARG A 51 23.121 -11.941 0.865 1.00 30.53 C ATOM 710 C ARG A 51 22.777 -13.321 0.312 1.00 35.21 C ATOM 711 O ARG A 51 22.068 -14.099 0.952 1.00 64.14 O ATOM 712 CB ARG A 51 24.516 -11.965 1.492 1.00 21.43 C ATOM 713 CG ARG A 51 25.511 -11.050 0.799 1.00 45.15 C ATOM 714 CD ARG A 51 26.849 -11.741 0.585 1.00 2.04 C ATOM 715 NE ARG A 51 27.964 -10.798 0.618 1.00 52.21 N ATOM 716 CZ ARG A 51 29.217 -11.130 0.327 1.00 75.22 C ATOM 717 NH1 ARG A 51 29.512 -12.376 -0.017 1.00 65.11 N ATOM 718 NH2 ARG A 51 30.176 -10.215 0.379 1.00 62.42 N ATOM 0 H ARG A 51 21.781 -12.262 2.445 1.00 11.22 H new ATOM 0 HA ARG A 51 23.112 -11.226 0.042 1.00 30.53 H new ATOM 0 HB2 ARG A 51 24.439 -11.676 2.540 1.00 21.43 H new ATOM 0 HB3 ARG A 51 24.898 -12.986 1.470 1.00 21.43 H new ATOM 0 HG2 ARG A 51 25.107 -10.732 -0.162 1.00 45.15 H new ATOM 0 HG3 ARG A 51 25.657 -10.150 1.397 1.00 45.15 H new ATOM 0 HD2 ARG A 51 26.993 -12.499 1.355 1.00 2.04 H new ATOM 0 HD3 ARG A 51 26.840 -12.259 -0.374 1.00 2.04 H new ATOM 0 HE ARG A 51 27.770 -9.831 0.879 1.00 52.21 H new ATOM 0 HH11 ARG A 51 28.776 -13.081 -0.059 1.00 65.11 H new ATOM 0 HH12 ARG A 51 30.475 -12.629 -0.240 1.00 65.11 H new ATOM 0 HH21 ARG A 51 29.952 -9.256 0.643 1.00 62.42 H new ATOM 0 HH22 ARG A 51 31.138 -10.471 0.155 1.00 62.42 H new ATOM 732 N VAL A 52 23.282 -13.618 -0.881 1.00 40.10 N ATOM 733 CA VAL A 52 23.029 -14.903 -1.520 1.00 73.55 C ATOM 734 C VAL A 52 23.481 -16.057 -0.633 1.00 21.42 C ATOM 735 O VAL A 52 24.585 -16.041 -0.091 1.00 22.45 O ATOM 736 CB VAL A 52 23.745 -15.005 -2.880 1.00 41.22 C ATOM 737 CG1 VAL A 52 23.336 -13.854 -3.787 1.00 34.12 C ATOM 738 CG2 VAL A 52 25.254 -15.031 -2.687 1.00 33.05 C ATOM 0 H VAL A 52 23.869 -12.985 -1.425 1.00 40.10 H new ATOM 0 HA VAL A 52 21.953 -14.970 -1.678 1.00 73.55 H new ATOM 0 HB VAL A 52 23.446 -15.938 -3.359 1.00 41.22 H new ATOM 0 HG11 VAL A 52 23.852 -13.943 -4.743 1.00 34.12 H new ATOM 0 HG12 VAL A 52 22.259 -13.885 -3.952 1.00 34.12 H new ATOM 0 HG13 VAL A 52 23.604 -12.908 -3.317 1.00 34.12 H new ATOM 0 HG21 VAL A 52 25.744 -15.103 -3.658 1.00 33.05 H new ATOM 0 HG22 VAL A 52 25.573 -14.116 -2.187 1.00 33.05 H new ATOM 0 HG23 VAL A 52 25.528 -15.892 -2.077 1.00 33.05 H new ATOM 748 N GLY A 53 22.619 -17.060 -0.489 1.00 42.32 N ATOM 749 CA GLY A 53 22.948 -18.209 0.334 1.00 43.13 C ATOM 750 C GLY A 53 21.947 -18.428 1.451 1.00 43.13 C ATOM 751 O GLY A 53 21.487 -19.548 1.670 1.00 22.53 O ATOM 0 H GLY A 53 21.699 -17.097 -0.928 1.00 42.32 H new ATOM 0 HA2 GLY A 53 22.990 -19.100 -0.292 1.00 43.13 H new ATOM 0 HA3 GLY A 53 23.941 -18.073 0.762 1.00 43.13 H new ATOM 755 N ASP A 54 21.610 -17.356 2.159 1.00 25.05 N ATOM 756 CA ASP A 54 20.658 -17.436 3.261 1.00 51.02 C ATOM 757 C ASP A 54 19.264 -17.788 2.750 1.00 65.34 C ATOM 758 O ASP A 54 18.930 -17.519 1.596 1.00 4.12 O ATOM 759 CB ASP A 54 20.615 -16.111 4.023 1.00 0.14 C ATOM 760 CG ASP A 54 21.935 -15.786 4.695 1.00 70.32 C ATOM 761 OD1 ASP A 54 22.628 -14.860 4.225 1.00 42.24 O ATOM 762 OD2 ASP A 54 22.274 -16.458 5.691 1.00 24.20 O ATOM 0 H ASP A 54 21.982 -16.421 1.990 1.00 25.05 H new ATOM 0 HA ASP A 54 20.988 -18.225 3.937 1.00 51.02 H new ATOM 0 HB2 ASP A 54 20.354 -15.308 3.334 1.00 0.14 H new ATOM 0 HB3 ASP A 54 19.828 -16.154 4.776 1.00 0.14 H new ATOM 767 N GLN A 55 18.457 -18.392 3.616 1.00 63.55 N ATOM 768 CA GLN A 55 17.101 -18.783 3.250 1.00 32.12 C ATOM 769 C GLN A 55 16.081 -17.799 3.812 1.00 13.45 C ATOM 770 O GLN A 55 16.277 -17.232 4.888 1.00 13.14 O ATOM 771 CB GLN A 55 16.799 -20.194 3.758 1.00 24.04 C ATOM 772 CG GLN A 55 17.587 -21.280 3.043 1.00 52.43 C ATOM 773 CD GLN A 55 17.605 -22.588 3.808 1.00 75.34 C ATOM 774 OE1 GLN A 55 18.452 -22.802 4.675 1.00 61.41 O ATOM 775 NE2 GLN A 55 16.666 -23.473 3.490 1.00 3.30 N ATOM 0 H GLN A 55 18.718 -18.621 4.575 1.00 63.55 H new ATOM 0 HA GLN A 55 17.028 -18.773 2.162 1.00 32.12 H new ATOM 0 HB2 GLN A 55 17.017 -20.241 4.825 1.00 24.04 H new ATOM 0 HB3 GLN A 55 15.734 -20.393 3.641 1.00 24.04 H new ATOM 0 HG2 GLN A 55 17.155 -21.447 2.056 1.00 52.43 H new ATOM 0 HG3 GLN A 55 18.611 -20.939 2.890 1.00 52.43 H new ATOM 0 HE21 GLN A 55 15.983 -23.254 2.764 1.00 3.30 H new ATOM 0 HE22 GLN A 55 16.628 -24.371 3.971 1.00 3.30 H new ATOM 784 N LEU A 56 14.992 -17.599 3.078 1.00 12.13 N ATOM 785 CA LEU A 56 13.940 -16.682 3.504 1.00 52.05 C ATOM 786 C LEU A 56 12.565 -17.326 3.359 1.00 32.23 C ATOM 787 O LEU A 56 12.183 -17.762 2.273 1.00 34.33 O ATOM 788 CB LEU A 56 13.999 -15.391 2.685 1.00 64.34 C ATOM 789 CG LEU A 56 15.192 -14.475 2.961 1.00 30.23 C ATOM 790 CD1 LEU A 56 15.337 -14.224 4.454 1.00 23.42 C ATOM 791 CD2 LEU A 56 16.469 -15.076 2.393 1.00 62.13 C ATOM 0 H LEU A 56 14.814 -18.059 2.185 1.00 12.13 H new ATOM 0 HA LEU A 56 14.102 -16.446 4.556 1.00 52.05 H new ATOM 0 HB2 LEU A 56 14.006 -15.655 1.628 1.00 64.34 H new ATOM 0 HB3 LEU A 56 13.084 -14.827 2.866 1.00 64.34 H new ATOM 0 HG LEU A 56 15.014 -13.519 2.468 1.00 30.23 H new ATOM 0 HD11 LEU A 56 16.191 -13.570 4.632 1.00 23.42 H new ATOM 0 HD12 LEU A 56 14.432 -13.750 4.833 1.00 23.42 H new ATOM 0 HD13 LEU A 56 15.492 -15.172 4.969 1.00 23.42 H new ATOM 0 HD21 LEU A 56 17.307 -14.410 2.599 1.00 62.13 H new ATOM 0 HD22 LEU A 56 16.653 -16.045 2.857 1.00 62.13 H new ATOM 0 HD23 LEU A 56 16.363 -15.204 1.316 1.00 62.13 H new ATOM 803 N VAL A 57 11.824 -17.381 4.462 1.00 40.13 N ATOM 804 CA VAL A 57 10.490 -17.969 4.458 1.00 53.42 C ATOM 805 C VAL A 57 9.438 -16.946 4.874 1.00 72.45 C ATOM 806 O VAL A 57 8.325 -16.936 4.347 1.00 61.23 O ATOM 807 CB VAL A 57 10.409 -19.184 5.400 1.00 20.31 C ATOM 808 CG1 VAL A 57 10.996 -20.418 4.732 1.00 63.02 C ATOM 809 CG2 VAL A 57 11.120 -18.889 6.712 1.00 2.00 C ATOM 0 H VAL A 57 12.125 -17.025 5.369 1.00 40.13 H new ATOM 0 HA VAL A 57 10.291 -18.297 3.438 1.00 53.42 H new ATOM 0 HB VAL A 57 9.360 -19.383 5.618 1.00 20.31 H new ATOM 0 HG11 VAL A 57 10.930 -21.267 5.413 1.00 63.02 H new ATOM 0 HG12 VAL A 57 10.439 -20.639 3.822 1.00 63.02 H new ATOM 0 HG13 VAL A 57 12.041 -20.234 4.482 1.00 63.02 H new ATOM 0 HG21 VAL A 57 11.053 -19.759 7.366 1.00 2.00 H new ATOM 0 HG22 VAL A 57 12.168 -18.663 6.515 1.00 2.00 H new ATOM 0 HG23 VAL A 57 10.649 -18.034 7.197 1.00 2.00 H new ATOM 819 N ARG A 58 9.798 -16.087 5.822 1.00 73.35 N ATOM 820 CA ARG A 58 8.884 -15.061 6.309 1.00 44.30 C ATOM 821 C ARG A 58 7.551 -15.674 6.728 1.00 43.51 C ATOM 822 O ARG A 58 6.505 -15.030 6.641 1.00 5.52 O ATOM 823 CB ARG A 58 8.654 -14.000 5.231 1.00 0.44 C ATOM 824 CG ARG A 58 9.938 -13.467 4.616 1.00 20.34 C ATOM 825 CD ARG A 58 9.663 -12.688 3.340 1.00 60.44 C ATOM 826 NE ARG A 58 8.904 -13.475 2.371 1.00 24.41 N ATOM 827 CZ ARG A 58 9.410 -14.509 1.706 1.00 11.55 C ATOM 828 NH1 ARG A 58 10.668 -14.878 1.905 1.00 13.42 N ATOM 829 NH2 ARG A 58 8.656 -15.175 0.841 1.00 24.23 N ATOM 0 H ARG A 58 10.715 -16.081 6.268 1.00 73.35 H new ATOM 0 HA ARG A 58 9.337 -14.590 7.181 1.00 44.30 H new ATOM 0 HB2 ARG A 58 8.033 -14.424 4.442 1.00 0.44 H new ATOM 0 HB3 ARG A 58 8.097 -13.169 5.664 1.00 0.44 H new ATOM 0 HG2 ARG A 58 10.447 -12.824 5.334 1.00 20.34 H new ATOM 0 HG3 ARG A 58 10.611 -14.297 4.399 1.00 20.34 H new ATOM 0 HD2 ARG A 58 9.111 -11.780 3.582 1.00 60.44 H new ATOM 0 HD3 ARG A 58 10.608 -12.377 2.894 1.00 60.44 H new ATOM 0 HE ARG A 58 7.933 -13.217 2.195 1.00 24.41 H new ATOM 0 HH11 ARG A 58 11.250 -14.368 2.570 1.00 13.42 H new ATOM 0 HH12 ARG A 58 11.054 -15.672 1.393 1.00 13.42 H new ATOM 0 HH21 ARG A 58 7.688 -14.894 0.686 1.00 24.23 H new ATOM 0 HH22 ARG A 58 9.044 -15.968 0.331 1.00 24.23 H new ATOM 843 N PHE A 59 7.596 -16.922 7.182 1.00 43.34 N ATOM 844 CA PHE A 59 6.392 -17.622 7.613 1.00 62.44 C ATOM 845 C PHE A 59 6.665 -18.455 8.862 1.00 61.02 C ATOM 846 O PHE A 59 7.763 -18.980 9.043 1.00 3.33 O ATOM 847 CB PHE A 59 5.871 -18.522 6.490 1.00 32.11 C ATOM 848 CG PHE A 59 5.163 -17.770 5.399 1.00 23.51 C ATOM 849 CD1 PHE A 59 4.144 -16.881 5.700 1.00 25.25 C ATOM 850 CD2 PHE A 59 5.517 -17.954 4.072 1.00 52.31 C ATOM 851 CE1 PHE A 59 3.492 -16.188 4.699 1.00 54.41 C ATOM 852 CE2 PHE A 59 4.868 -17.263 3.066 1.00 11.42 C ATOM 853 CZ PHE A 59 3.853 -16.379 3.380 1.00 62.51 C ATOM 0 H PHE A 59 8.453 -17.469 7.261 1.00 43.34 H new ATOM 0 HA PHE A 59 5.634 -16.876 7.853 1.00 62.44 H new ATOM 0 HB2 PHE A 59 6.707 -19.071 6.058 1.00 32.11 H new ATOM 0 HB3 PHE A 59 5.189 -19.260 6.913 1.00 32.11 H new ATOM 0 HD1 PHE A 59 3.856 -16.728 6.730 1.00 25.25 H new ATOM 0 HD2 PHE A 59 6.308 -18.645 3.821 1.00 52.31 H new ATOM 0 HE1 PHE A 59 2.700 -15.497 4.948 1.00 54.41 H new ATOM 0 HE2 PHE A 59 5.154 -17.414 2.035 1.00 11.42 H new ATOM 0 HZ PHE A 59 3.344 -15.839 2.596 1.00 62.51 H new ATOM 863 N ALA A 60 5.657 -18.571 9.720 1.00 2.54 N ATOM 864 CA ALA A 60 5.787 -19.340 10.952 1.00 40.33 C ATOM 865 C ALA A 60 5.828 -20.836 10.662 1.00 33.43 C ATOM 866 O ALA A 60 4.824 -21.430 10.269 1.00 4.00 O ATOM 867 CB ALA A 60 4.643 -19.014 11.900 1.00 33.53 C ATOM 0 H ALA A 60 4.741 -18.142 9.585 1.00 2.54 H new ATOM 0 HA ALA A 60 6.728 -19.063 11.428 1.00 40.33 H new ATOM 0 HB1 ALA A 60 4.752 -19.595 12.816 1.00 33.53 H new ATOM 0 HB2 ALA A 60 4.661 -17.951 12.140 1.00 33.53 H new ATOM 0 HB3 ALA A 60 3.694 -19.262 11.424 1.00 33.53 H new ATOM 873 N GLY A 61 6.995 -21.441 10.859 1.00 24.21 N ATOM 874 CA GLY A 61 7.145 -22.864 10.613 1.00 13.33 C ATOM 875 C GLY A 61 8.365 -23.182 9.772 1.00 1.34 C ATOM 876 O GLY A 61 8.627 -24.344 9.460 1.00 0.44 O ATOM 0 H GLY A 61 7.840 -20.971 11.185 1.00 24.21 H new ATOM 0 HA2 GLY A 61 7.218 -23.388 11.566 1.00 13.33 H new ATOM 0 HA3 GLY A 61 6.253 -23.239 10.110 1.00 13.33 H new ATOM 880 N TYR A 62 9.113 -22.148 9.403 1.00 13.30 N ATOM 881 CA TYR A 62 10.310 -22.322 8.589 1.00 30.23 C ATOM 882 C TYR A 62 9.966 -22.947 7.241 1.00 72.12 C ATOM 883 O TYR A 62 10.704 -23.787 6.725 1.00 45.55 O ATOM 884 CB TYR A 62 11.328 -23.196 9.324 1.00 44.32 C ATOM 885 CG TYR A 62 11.402 -22.922 10.809 1.00 50.41 C ATOM 886 CD1 TYR A 62 11.442 -21.620 11.294 1.00 51.14 C ATOM 887 CD2 TYR A 62 11.433 -23.964 11.727 1.00 14.32 C ATOM 888 CE1 TYR A 62 11.510 -21.364 12.650 1.00 72.54 C ATOM 889 CE2 TYR A 62 11.499 -23.718 13.085 1.00 50.41 C ATOM 890 CZ TYR A 62 11.538 -22.417 13.541 1.00 14.42 C ATOM 891 OH TYR A 62 11.605 -22.167 14.893 1.00 62.32 O ATOM 0 H TYR A 62 8.911 -21.180 9.655 1.00 13.30 H new ATOM 0 HA TYR A 62 10.745 -21.338 8.412 1.00 30.23 H new ATOM 0 HB2 TYR A 62 11.073 -24.244 9.169 1.00 44.32 H new ATOM 0 HB3 TYR A 62 12.313 -23.039 8.885 1.00 44.32 H new ATOM 0 HD1 TYR A 62 11.420 -20.794 10.599 1.00 51.14 H new ATOM 0 HD2 TYR A 62 11.405 -24.984 11.373 1.00 14.32 H new ATOM 0 HE1 TYR A 62 11.541 -20.346 13.010 1.00 72.54 H new ATOM 0 HE2 TYR A 62 11.520 -24.540 13.785 1.00 50.41 H new ATOM 0 HH TYR A 62 11.616 -23.016 15.383 1.00 62.32 H new ATOM 901 N THR A 63 8.838 -22.531 6.674 1.00 73.04 N ATOM 902 CA THR A 63 8.393 -23.049 5.386 1.00 44.22 C ATOM 903 C THR A 63 7.957 -21.919 4.460 1.00 34.11 C ATOM 904 O THR A 63 7.506 -20.868 4.916 1.00 21.23 O ATOM 905 CB THR A 63 7.227 -24.041 5.551 1.00 23.53 C ATOM 906 OG1 THR A 63 6.698 -24.394 4.268 1.00 1.03 O ATOM 907 CG2 THR A 63 6.126 -23.443 6.413 1.00 34.30 C ATOM 0 H THR A 63 8.216 -21.836 7.087 1.00 73.04 H new ATOM 0 HA THR A 63 9.243 -23.570 4.945 1.00 44.22 H new ATOM 0 HB THR A 63 7.607 -24.935 6.044 1.00 23.53 H new ATOM 0 HG1 THR A 63 7.411 -24.774 3.713 1.00 1.03 H new ATOM 0 HG21 THR A 63 5.313 -24.162 6.515 1.00 34.30 H new ATOM 0 HG22 THR A 63 6.525 -23.204 7.399 1.00 34.30 H new ATOM 0 HG23 THR A 63 5.750 -22.534 5.944 1.00 34.30 H new ATOM 915 N VAL A 64 8.092 -22.142 3.157 1.00 60.33 N ATOM 916 CA VAL A 64 7.709 -21.143 2.166 1.00 23.31 C ATOM 917 C VAL A 64 7.214 -21.802 0.884 1.00 74.40 C ATOM 918 O VAL A 64 7.502 -22.970 0.621 1.00 60.42 O ATOM 919 CB VAL A 64 8.886 -20.209 1.828 1.00 10.41 C ATOM 920 CG1 VAL A 64 9.899 -20.923 0.946 1.00 0.33 C ATOM 921 CG2 VAL A 64 8.382 -18.940 1.156 1.00 23.21 C ATOM 0 H VAL A 64 8.464 -23.006 2.763 1.00 60.33 H new ATOM 0 HA VAL A 64 6.902 -20.556 2.604 1.00 23.31 H new ATOM 0 HB VAL A 64 9.383 -19.929 2.757 1.00 10.41 H new ATOM 0 HG11 VAL A 64 10.723 -20.247 0.718 1.00 0.33 H new ATOM 0 HG12 VAL A 64 10.282 -21.799 1.468 1.00 0.33 H new ATOM 0 HG13 VAL A 64 9.418 -21.235 0.019 1.00 0.33 H new ATOM 0 HG21 VAL A 64 9.227 -18.291 0.924 1.00 23.21 H new ATOM 0 HG22 VAL A 64 7.859 -19.199 0.235 1.00 23.21 H new ATOM 0 HG23 VAL A 64 7.698 -18.420 1.827 1.00 23.21 H new ATOM 931 N THR A 65 6.465 -21.046 0.087 1.00 3.20 N ATOM 932 CA THR A 65 5.928 -21.556 -1.168 1.00 42.11 C ATOM 933 C THR A 65 6.920 -21.363 -2.309 1.00 63.53 C ATOM 934 O THR A 65 7.569 -22.313 -2.746 1.00 23.43 O ATOM 935 CB THR A 65 4.602 -20.864 -1.534 1.00 54.10 C ATOM 936 OG1 THR A 65 3.619 -21.124 -0.526 1.00 32.23 O ATOM 937 CG2 THR A 65 4.092 -21.349 -2.883 1.00 4.10 C ATOM 0 H THR A 65 6.217 -20.078 0.289 1.00 3.20 H new ATOM 0 HA THR A 65 5.746 -22.621 -1.024 1.00 42.11 H new ATOM 0 HB THR A 65 4.783 -19.791 -1.596 1.00 54.10 H new ATOM 0 HG1 THR A 65 2.779 -20.679 -0.765 1.00 32.23 H new ATOM 0 HG21 THR A 65 3.154 -20.846 -3.120 1.00 4.10 H new ATOM 0 HG22 THR A 65 4.829 -21.123 -3.653 1.00 4.10 H new ATOM 0 HG23 THR A 65 3.926 -22.426 -2.844 1.00 4.10 H new ATOM 945 N GLU A 66 7.033 -20.128 -2.787 1.00 70.25 N ATOM 946 CA GLU A 66 7.947 -19.813 -3.879 1.00 1.32 C ATOM 947 C GLU A 66 7.978 -18.310 -4.145 1.00 64.43 C ATOM 948 O GLU A 66 7.448 -17.519 -3.365 1.00 54.30 O ATOM 949 CB GLU A 66 7.536 -20.559 -5.150 1.00 10.31 C ATOM 950 CG GLU A 66 6.250 -20.039 -5.771 1.00 64.45 C ATOM 951 CD GLU A 66 5.299 -21.154 -6.161 1.00 62.15 C ATOM 952 OE1 GLU A 66 5.229 -22.159 -5.423 1.00 64.11 O ATOM 953 OE2 GLU A 66 4.625 -21.022 -7.204 1.00 63.13 O ATOM 0 H GLU A 66 6.504 -19.330 -2.436 1.00 70.25 H new ATOM 0 HA GLU A 66 8.947 -20.134 -3.586 1.00 1.32 H new ATOM 0 HB2 GLU A 66 8.340 -20.483 -5.882 1.00 10.31 H new ATOM 0 HB3 GLU A 66 7.416 -21.617 -4.918 1.00 10.31 H new ATOM 0 HG2 GLU A 66 5.753 -19.373 -5.065 1.00 64.45 H new ATOM 0 HG3 GLU A 66 6.491 -19.446 -6.654 1.00 64.45 H new ATOM 960 N LEU A 67 8.604 -17.925 -5.252 1.00 3.13 N ATOM 961 CA LEU A 67 8.706 -16.518 -5.622 1.00 42.43 C ATOM 962 C LEU A 67 7.330 -15.861 -5.649 1.00 50.50 C ATOM 963 O LEU A 67 7.186 -14.685 -5.314 1.00 71.15 O ATOM 964 CB LEU A 67 9.378 -16.377 -6.990 1.00 33.25 C ATOM 965 CG LEU A 67 8.883 -17.327 -8.081 1.00 53.10 C ATOM 966 CD1 LEU A 67 8.199 -16.550 -9.195 1.00 43.52 C ATOM 967 CD2 LEU A 67 10.036 -18.152 -8.633 1.00 40.24 C ATOM 0 H LEU A 67 9.048 -18.567 -5.908 1.00 3.13 H new ATOM 0 HA LEU A 67 9.315 -16.014 -4.871 1.00 42.43 H new ATOM 0 HB2 LEU A 67 9.239 -15.353 -7.337 1.00 33.25 H new ATOM 0 HB3 LEU A 67 10.450 -16.528 -6.863 1.00 33.25 H new ATOM 0 HG LEU A 67 8.154 -18.008 -7.641 1.00 53.10 H new ATOM 0 HD11 LEU A 67 7.853 -17.243 -9.962 1.00 43.52 H new ATOM 0 HD12 LEU A 67 7.347 -16.004 -8.788 1.00 43.52 H new ATOM 0 HD13 LEU A 67 8.905 -15.845 -9.634 1.00 43.52 H new ATOM 0 HD21 LEU A 67 9.665 -18.822 -9.408 1.00 40.24 H new ATOM 0 HD22 LEU A 67 10.788 -17.487 -9.057 1.00 40.24 H new ATOM 0 HD23 LEU A 67 10.482 -18.738 -7.829 1.00 40.24 H new ATOM 979 N ALA A 68 6.321 -16.628 -6.047 1.00 60.34 N ATOM 980 CA ALA A 68 4.956 -16.122 -6.114 1.00 33.25 C ATOM 981 C ALA A 68 4.499 -15.596 -4.757 1.00 42.52 C ATOM 982 O ALA A 68 3.890 -14.530 -4.668 1.00 35.43 O ATOM 983 CB ALA A 68 4.012 -17.211 -6.604 1.00 5.31 C ATOM 0 H ALA A 68 6.423 -17.603 -6.328 1.00 60.34 H new ATOM 0 HA ALA A 68 4.936 -15.294 -6.822 1.00 33.25 H new ATOM 0 HB1 ALA A 68 2.996 -16.819 -6.649 1.00 5.31 H new ATOM 0 HB2 ALA A 68 4.319 -17.539 -7.597 1.00 5.31 H new ATOM 0 HB3 ALA A 68 4.044 -18.057 -5.917 1.00 5.31 H new ATOM 989 N ALA A 69 4.798 -16.349 -3.704 1.00 73.10 N ATOM 990 CA ALA A 69 4.419 -15.957 -2.352 1.00 71.22 C ATOM 991 C ALA A 69 5.213 -14.740 -1.891 1.00 14.51 C ATOM 992 O ALA A 69 4.701 -13.895 -1.155 1.00 25.22 O ATOM 993 CB ALA A 69 4.622 -17.118 -1.390 1.00 2.24 C ATOM 0 H ALA A 69 5.302 -17.234 -3.761 1.00 73.10 H new ATOM 0 HA ALA A 69 3.363 -15.687 -2.360 1.00 71.22 H new ATOM 0 HB1 ALA A 69 4.335 -16.811 -0.384 1.00 2.24 H new ATOM 0 HB2 ALA A 69 4.006 -17.961 -1.702 1.00 2.24 H new ATOM 0 HB3 ALA A 69 5.671 -17.414 -1.394 1.00 2.24 H new ATOM 999 N PHE A 70 6.465 -14.655 -2.328 1.00 31.24 N ATOM 1000 CA PHE A 70 7.330 -13.541 -1.958 1.00 21.13 C ATOM 1001 C PHE A 70 6.914 -12.265 -2.684 1.00 21.12 C ATOM 1002 O PHE A 70 7.199 -11.158 -2.229 1.00 23.43 O ATOM 1003 CB PHE A 70 8.789 -13.872 -2.279 1.00 51.05 C ATOM 1004 CG PHE A 70 9.756 -12.815 -1.830 1.00 45.44 C ATOM 1005 CD1 PHE A 70 10.778 -12.392 -2.665 1.00 63.23 C ATOM 1006 CD2 PHE A 70 9.645 -12.244 -0.573 1.00 15.51 C ATOM 1007 CE1 PHE A 70 11.670 -11.419 -2.255 1.00 63.23 C ATOM 1008 CE2 PHE A 70 10.533 -11.270 -0.158 1.00 1.23 C ATOM 1009 CZ PHE A 70 11.548 -10.858 -0.999 1.00 70.03 C ATOM 0 H PHE A 70 6.903 -15.344 -2.939 1.00 31.24 H new ATOM 0 HA PHE A 70 7.230 -13.376 -0.885 1.00 21.13 H new ATOM 0 HB2 PHE A 70 9.051 -14.818 -1.805 1.00 51.05 H new ATOM 0 HB3 PHE A 70 8.893 -14.015 -3.355 1.00 51.05 H new ATOM 0 HD1 PHE A 70 10.879 -12.828 -3.648 1.00 63.23 H new ATOM 0 HD2 PHE A 70 8.855 -12.564 0.091 1.00 15.51 H new ATOM 0 HE1 PHE A 70 12.461 -11.098 -2.916 1.00 63.23 H new ATOM 0 HE2 PHE A 70 10.433 -10.831 0.824 1.00 1.23 H new ATOM 0 HZ PHE A 70 12.245 -10.099 -0.675 1.00 70.03 H new ATOM 1019 N ASN A 71 6.238 -12.429 -3.816 1.00 64.55 N ATOM 1020 CA ASN A 71 5.784 -11.292 -4.607 1.00 53.52 C ATOM 1021 C ASN A 71 4.867 -10.390 -3.786 1.00 10.01 C ATOM 1022 O ASN A 71 5.003 -9.166 -3.803 1.00 75.01 O ATOM 1023 CB ASN A 71 5.052 -11.775 -5.861 1.00 43.11 C ATOM 1024 CG ASN A 71 5.800 -11.431 -7.135 1.00 72.21 C ATOM 1025 OD1 ASN A 71 5.993 -12.282 -8.003 1.00 62.33 O ATOM 1026 ND2 ASN A 71 6.224 -10.178 -7.252 1.00 63.41 N ATOM 0 H ASN A 71 5.992 -13.339 -4.206 1.00 64.55 H new ATOM 0 HA ASN A 71 6.660 -10.716 -4.905 1.00 53.52 H new ATOM 0 HB2 ASN A 71 4.913 -12.855 -5.804 1.00 43.11 H new ATOM 0 HB3 ASN A 71 4.059 -11.327 -5.894 1.00 43.11 H new ATOM 0 HD21 ASN A 71 6.732 -9.888 -8.087 1.00 63.41 H new ATOM 0 HD22 ASN A 71 6.041 -9.506 -6.507 1.00 63.41 H new ATOM 1033 N THR A 72 3.933 -11.003 -3.066 1.00 32.42 N ATOM 1034 CA THR A 72 2.993 -10.258 -2.238 1.00 41.43 C ATOM 1035 C THR A 72 3.683 -9.680 -1.008 1.00 33.15 C ATOM 1036 O THR A 72 3.347 -8.587 -0.551 1.00 22.10 O ATOM 1037 CB THR A 72 1.817 -11.144 -1.786 1.00 2.54 C ATOM 1038 OG1 THR A 72 2.175 -12.526 -1.894 1.00 40.24 O ATOM 1039 CG2 THR A 72 0.578 -10.868 -2.624 1.00 10.23 C ATOM 0 H THR A 72 3.807 -12.015 -3.040 1.00 32.42 H new ATOM 0 HA THR A 72 2.608 -9.443 -2.851 1.00 41.43 H new ATOM 0 HB THR A 72 1.592 -10.908 -0.746 1.00 2.54 H new ATOM 0 HG1 THR A 72 3.019 -12.683 -1.421 1.00 40.24 H new ATOM 0 HG21 THR A 72 -0.239 -11.505 -2.286 1.00 10.23 H new ATOM 0 HG22 THR A 72 0.291 -9.822 -2.516 1.00 10.23 H new ATOM 0 HG23 THR A 72 0.793 -11.078 -3.672 1.00 10.23 H new ATOM 1047 N VAL A 73 4.649 -10.421 -0.474 1.00 41.32 N ATOM 1048 CA VAL A 73 5.388 -9.981 0.704 1.00 53.05 C ATOM 1049 C VAL A 73 6.275 -8.784 0.380 1.00 22.24 C ATOM 1050 O VAL A 73 6.385 -7.847 1.171 1.00 32.35 O ATOM 1051 CB VAL A 73 6.261 -11.114 1.274 1.00 32.40 C ATOM 1052 CG1 VAL A 73 7.099 -10.609 2.438 1.00 12.34 C ATOM 1053 CG2 VAL A 73 5.395 -12.290 1.701 1.00 71.13 C ATOM 0 H VAL A 73 4.938 -11.329 -0.838 1.00 41.32 H new ATOM 0 HA VAL A 73 4.650 -9.691 1.451 1.00 53.05 H new ATOM 0 HB VAL A 73 6.938 -11.456 0.491 1.00 32.40 H new ATOM 0 HG11 VAL A 73 7.709 -11.424 2.828 1.00 12.34 H new ATOM 0 HG12 VAL A 73 7.747 -9.802 2.097 1.00 12.34 H new ATOM 0 HG13 VAL A 73 6.442 -10.239 3.225 1.00 12.34 H new ATOM 0 HG21 VAL A 73 6.028 -13.082 2.101 1.00 71.13 H new ATOM 0 HG22 VAL A 73 4.692 -11.965 2.468 1.00 71.13 H new ATOM 0 HG23 VAL A 73 4.843 -12.667 0.840 1.00 71.13 H new ATOM 1063 N VAL A 74 6.907 -8.822 -0.788 1.00 45.43 N ATOM 1064 CA VAL A 74 7.785 -7.739 -1.218 1.00 32.22 C ATOM 1065 C VAL A 74 7.041 -6.409 -1.250 1.00 51.14 C ATOM 1066 O VAL A 74 7.595 -5.368 -0.899 1.00 52.33 O ATOM 1067 CB VAL A 74 8.378 -8.017 -2.612 1.00 22.33 C ATOM 1068 CG1 VAL A 74 9.120 -6.795 -3.130 1.00 2.10 C ATOM 1069 CG2 VAL A 74 9.296 -9.229 -2.567 1.00 63.43 C ATOM 0 H VAL A 74 6.828 -9.591 -1.454 1.00 45.43 H new ATOM 0 HA VAL A 74 8.596 -7.681 -0.492 1.00 32.22 H new ATOM 0 HB VAL A 74 7.560 -8.234 -3.299 1.00 22.33 H new ATOM 0 HG11 VAL A 74 9.532 -7.010 -4.116 1.00 2.10 H new ATOM 0 HG12 VAL A 74 8.431 -5.954 -3.201 1.00 2.10 H new ATOM 0 HG13 VAL A 74 9.930 -6.544 -2.445 1.00 2.10 H new ATOM 0 HG21 VAL A 74 9.707 -9.412 -3.560 1.00 63.43 H new ATOM 0 HG22 VAL A 74 10.110 -9.043 -1.866 1.00 63.43 H new ATOM 0 HG23 VAL A 74 8.730 -10.102 -2.242 1.00 63.43 H new ATOM 1079 N ALA A 75 5.782 -6.452 -1.674 1.00 11.51 N ATOM 1080 CA ALA A 75 4.960 -5.250 -1.750 1.00 5.20 C ATOM 1081 C ALA A 75 4.768 -4.628 -0.371 1.00 33.41 C ATOM 1082 O ALA A 75 4.853 -3.411 -0.211 1.00 54.40 O ATOM 1083 CB ALA A 75 3.613 -5.571 -2.379 1.00 51.45 C ATOM 0 H ALA A 75 5.309 -7.306 -1.970 1.00 11.51 H new ATOM 0 HA ALA A 75 5.478 -4.525 -2.378 1.00 5.20 H new ATOM 0 HB1 ALA A 75 3.010 -4.665 -2.429 1.00 51.45 H new ATOM 0 HB2 ALA A 75 3.765 -5.962 -3.385 1.00 51.45 H new ATOM 0 HB3 ALA A 75 3.097 -6.317 -1.774 1.00 51.45 H new ATOM 1089 N ARG A 76 4.507 -5.472 0.622 1.00 24.32 N ATOM 1090 CA ARG A 76 4.301 -5.005 1.988 1.00 54.04 C ATOM 1091 C ARG A 76 5.634 -4.707 2.668 1.00 35.41 C ATOM 1092 O ARG A 76 5.697 -3.927 3.619 1.00 52.14 O ATOM 1093 CB ARG A 76 3.526 -6.048 2.795 1.00 75.25 C ATOM 1094 CG ARG A 76 2.022 -5.991 2.579 1.00 0.00 C ATOM 1095 CD ARG A 76 1.649 -6.366 1.153 1.00 31.24 C ATOM 1096 NE ARG A 76 0.494 -7.259 1.107 1.00 53.53 N ATOM 1097 CZ ARG A 76 0.559 -8.559 1.367 1.00 30.44 C ATOM 1098 NH1 ARG A 76 1.717 -9.117 1.692 1.00 45.41 N ATOM 1099 NH2 ARG A 76 -0.536 -9.306 1.304 1.00 14.32 N ATOM 0 H ARG A 76 4.433 -6.483 0.506 1.00 24.32 H new ATOM 0 HA ARG A 76 3.720 -4.083 1.946 1.00 54.04 H new ATOM 0 HB2 ARG A 76 3.885 -7.042 2.528 1.00 75.25 H new ATOM 0 HB3 ARG A 76 3.738 -5.906 3.855 1.00 75.25 H new ATOM 0 HG2 ARG A 76 1.527 -6.668 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.660 -4.987 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.431 -5.461 0.585 1.00 31.24 H new ATOM 0 HD3 ARG A 76 2.499 -6.848 0.670 1.00 31.24 H new ATOM 0 HE ARG A 76 -0.413 -6.862 0.861 1.00 53.53 H new ATOM 0 HH11 ARG A 76 2.561 -8.547 1.743 1.00 45.41 H new ATOM 0 HH12 ARG A 76 1.763 -10.116 1.891 1.00 45.41 H new ATOM 0 HH21 ARG A 76 -1.429 -8.881 1.055 1.00 14.32 H new ATOM 0 HH22 ARG A 76 -0.484 -10.305 1.504 1.00 14.32 H new ATOM 1113 N HIS A 77 6.697 -5.335 2.176 1.00 73.15 N ATOM 1114 CA HIS A 77 8.029 -5.138 2.736 1.00 52.50 C ATOM 1115 C HIS A 77 8.625 -3.813 2.267 1.00 34.52 C ATOM 1116 O HIS A 77 9.058 -2.994 3.078 1.00 70.43 O ATOM 1117 CB HIS A 77 8.948 -6.293 2.339 1.00 5.24 C ATOM 1118 CG HIS A 77 8.915 -7.442 3.299 1.00 13.03 C ATOM 1119 ND1 HIS A 77 7.848 -7.692 4.137 1.00 42.11 N ATOM 1120 CD2 HIS A 77 9.824 -8.412 3.551 1.00 61.52 C ATOM 1121 CE1 HIS A 77 8.104 -8.765 4.863 1.00 33.32 C ATOM 1122 NE2 HIS A 77 9.296 -9.222 4.527 1.00 45.05 N ATOM 0 H HIS A 77 6.662 -5.985 1.391 1.00 73.15 H new ATOM 0 HA HIS A 77 7.940 -5.112 3.822 1.00 52.50 H new ATOM 0 HB2 HIS A 77 8.663 -6.649 1.349 1.00 5.24 H new ATOM 0 HB3 HIS A 77 9.971 -5.923 2.263 1.00 5.24 H new ATOM 0 HD2 HIS A 77 10.786 -8.528 3.074 1.00 61.52 H new ATOM 0 HE1 HIS A 77 7.449 -9.196 5.606 1.00 33.32 H new ATOM 0 HE2 HIS A 77 9.751 -10.043 4.927 1.00 45.05 H new ATOM 1130 N VAL A 78 8.644 -3.611 0.954 1.00 54.44 N ATOM 1131 CA VAL A 78 9.186 -2.386 0.377 1.00 71.21 C ATOM 1132 C VAL A 78 8.505 -1.154 0.963 1.00 61.42 C ATOM 1133 O VAL A 78 7.315 -0.928 0.745 1.00 53.12 O ATOM 1134 CB VAL A 78 9.025 -2.368 -1.155 1.00 24.32 C ATOM 1135 CG1 VAL A 78 9.915 -3.421 -1.798 1.00 23.25 C ATOM 1136 CG2 VAL A 78 7.569 -2.582 -1.540 1.00 43.21 C ATOM 0 H VAL A 78 8.291 -4.279 0.269 1.00 54.44 H new ATOM 0 HA VAL A 78 10.247 -2.363 0.624 1.00 71.21 H new ATOM 0 HB VAL A 78 9.335 -1.390 -1.524 1.00 24.32 H new ATOM 0 HG11 VAL A 78 9.788 -3.393 -2.880 1.00 23.25 H new ATOM 0 HG12 VAL A 78 10.957 -3.218 -1.550 1.00 23.25 H new ATOM 0 HG13 VAL A 78 9.639 -4.407 -1.425 1.00 23.25 H new ATOM 0 HG21 VAL A 78 7.474 -2.566 -2.626 1.00 43.21 H new ATOM 0 HG22 VAL A 78 7.230 -3.546 -1.160 1.00 43.21 H new ATOM 0 HG23 VAL A 78 6.959 -1.788 -1.111 1.00 43.21 H new ATOM 1146 N ARG A 79 9.268 -0.361 1.707 1.00 44.10 N ATOM 1147 CA ARG A 79 8.739 0.848 2.325 1.00 13.53 C ATOM 1148 C ARG A 79 9.842 1.883 2.530 1.00 71.34 C ATOM 1149 O ARG A 79 11.031 1.564 2.540 1.00 1.10 O ATOM 1150 CB ARG A 79 8.082 0.516 3.666 1.00 22.44 C ATOM 1151 CG ARG A 79 6.635 0.069 3.542 1.00 72.23 C ATOM 1152 CD ARG A 79 6.032 -0.251 4.900 1.00 34.44 C ATOM 1153 NE ARG A 79 4.827 0.531 5.162 1.00 14.14 N ATOM 1154 CZ ARG A 79 4.051 0.352 6.226 1.00 51.12 C ATOM 1155 NH1 ARG A 79 4.353 -0.577 7.122 1.00 72.32 N ATOM 1156 NH2 ARG A 79 2.971 1.104 6.395 1.00 53.03 N ATOM 0 H ARG A 79 10.255 -0.534 1.897 1.00 44.10 H new ATOM 0 HA ARG A 79 7.990 1.269 1.655 1.00 13.53 H new ATOM 0 HB2 ARG A 79 8.655 -0.270 4.157 1.00 22.44 H new ATOM 0 HB3 ARG A 79 8.128 1.394 4.311 1.00 22.44 H new ATOM 0 HG2 ARG A 79 6.051 0.853 3.059 1.00 72.23 H new ATOM 0 HG3 ARG A 79 6.579 -0.811 2.901 1.00 72.23 H new ATOM 0 HD2 ARG A 79 5.792 -1.313 4.949 1.00 34.44 H new ATOM 0 HD3 ARG A 79 6.768 -0.054 5.679 1.00 34.44 H new ATOM 0 HE ARG A 79 4.567 1.254 4.492 1.00 14.14 H new ATOM 0 HH11 ARG A 79 5.183 -1.157 6.996 1.00 72.32 H new ATOM 0 HH12 ARG A 79 3.756 -0.712 7.938 1.00 72.32 H new ATOM 0 HH21 ARG A 79 2.736 1.820 5.708 1.00 53.03 H new ATOM 0 HH22 ARG A 79 2.376 0.966 7.212 1.00 53.03 H new ATOM 1170 N PRO A 80 9.440 3.152 2.696 1.00 64.35 N ATOM 1171 CA PRO A 80 10.379 4.258 2.902 1.00 1.35 C ATOM 1172 C PRO A 80 11.061 4.193 4.265 1.00 62.13 C ATOM 1173 O PRO A 80 10.524 4.674 5.262 1.00 1.42 O ATOM 1174 CB PRO A 80 9.489 5.500 2.809 1.00 4.41 C ATOM 1175 CG PRO A 80 8.130 5.022 3.186 1.00 30.23 C ATOM 1176 CD PRO A 80 8.039 3.604 2.694 1.00 31.34 C ATOM 0 HA PRO A 80 11.192 4.243 2.176 1.00 1.35 H new ATOM 0 HB2 PRO A 80 9.833 6.285 3.482 1.00 4.41 H new ATOM 0 HB3 PRO A 80 9.496 5.918 1.802 1.00 4.41 H new ATOM 0 HG2 PRO A 80 7.985 5.071 4.265 1.00 30.23 H new ATOM 0 HG3 PRO A 80 7.358 5.643 2.732 1.00 30.23 H new ATOM 0 HD2 PRO A 80 7.418 2.991 3.347 1.00 31.34 H new ATOM 0 HD3 PRO A 80 7.601 3.552 1.697 1.00 31.34 H new ATOM 1184 N SER A 81 12.248 3.595 4.299 1.00 34.43 N ATOM 1185 CA SER A 81 13.002 3.463 5.540 1.00 13.45 C ATOM 1186 C SER A 81 12.170 2.763 6.610 1.00 33.51 C ATOM 1187 O SER A 81 12.212 3.129 7.784 1.00 53.40 O ATOM 1188 CB SER A 81 13.443 4.840 6.042 1.00 73.11 C ATOM 1189 OG SER A 81 13.981 5.619 4.987 1.00 34.42 O ATOM 0 H SER A 81 12.708 3.194 3.481 1.00 34.43 H new ATOM 0 HA SER A 81 13.885 2.857 5.337 1.00 13.45 H new ATOM 0 HB2 SER A 81 12.593 5.359 6.484 1.00 73.11 H new ATOM 0 HB3 SER A 81 14.189 4.722 6.828 1.00 73.11 H new ATOM 0 HG SER A 81 14.254 6.494 5.333 1.00 34.42 H new ATOM 1195 N ALA A 82 11.414 1.751 6.195 1.00 52.44 N ATOM 1196 CA ALA A 82 10.573 0.997 7.116 1.00 2.10 C ATOM 1197 C ALA A 82 11.067 -0.439 7.259 1.00 12.44 C ATOM 1198 O ALA A 82 11.220 -1.154 6.270 1.00 75.33 O ATOM 1199 CB ALA A 82 9.126 1.015 6.646 1.00 43.32 C ATOM 0 H ALA A 82 11.367 1.435 5.226 1.00 52.44 H new ATOM 0 HA ALA A 82 10.631 1.473 8.095 1.00 2.10 H new ATOM 0 HB1 ALA A 82 8.510 0.448 7.344 1.00 43.32 H new ATOM 0 HB2 ALA A 82 8.771 2.044 6.602 1.00 43.32 H new ATOM 0 HB3 ALA A 82 9.060 0.566 5.655 1.00 43.32 H new ATOM 1205 N SER A 83 11.315 -0.853 8.498 1.00 64.14 N ATOM 1206 CA SER A 83 11.796 -2.203 8.770 1.00 44.51 C ATOM 1207 C SER A 83 10.650 -3.110 9.206 1.00 61.24 C ATOM 1208 O SER A 83 9.735 -2.679 9.908 1.00 23.01 O ATOM 1209 CB SER A 83 12.878 -2.173 9.852 1.00 52.34 C ATOM 1210 OG SER A 83 12.356 -2.578 11.105 1.00 24.33 O ATOM 0 H SER A 83 11.191 -0.274 9.328 1.00 64.14 H new ATOM 0 HA SER A 83 12.223 -2.603 7.850 1.00 44.51 H new ATOM 0 HB2 SER A 83 13.700 -2.830 9.567 1.00 52.34 H new ATOM 0 HB3 SER A 83 13.288 -1.166 9.933 1.00 52.34 H new ATOM 0 HG SER A 83 13.067 -2.552 11.779 1.00 24.33 H new ATOM 1216 N ILE A 84 10.707 -4.369 8.783 1.00 3.25 N ATOM 1217 CA ILE A 84 9.675 -5.338 9.130 1.00 3.04 C ATOM 1218 C ILE A 84 10.291 -6.645 9.620 1.00 54.34 C ATOM 1219 O ILE A 84 11.450 -6.955 9.345 1.00 10.12 O ATOM 1220 CB ILE A 84 8.755 -5.634 7.931 1.00 22.13 C ATOM 1221 CG1 ILE A 84 9.551 -5.584 6.625 1.00 12.44 C ATOM 1222 CG2 ILE A 84 7.600 -4.645 7.893 1.00 43.41 C ATOM 1223 CD1 ILE A 84 10.703 -6.563 6.582 1.00 40.35 C ATOM 0 H ILE A 84 11.457 -4.741 8.200 1.00 3.25 H new ATOM 0 HA ILE A 84 9.083 -4.896 9.931 1.00 3.04 H new ATOM 0 HB ILE A 84 8.344 -6.637 8.045 1.00 22.13 H new ATOM 0 HG12 ILE A 84 8.879 -5.789 5.791 1.00 12.44 H new ATOM 0 HG13 ILE A 84 9.937 -4.575 6.483 1.00 12.44 H new ATOM 0 HG21 ILE A 84 6.959 -4.867 7.040 1.00 43.41 H new ATOM 0 HG22 ILE A 84 7.021 -4.726 8.813 1.00 43.41 H new ATOM 0 HG23 ILE A 84 7.991 -3.632 7.799 1.00 43.41 H new ATOM 0 HD11 ILE A 84 11.222 -6.472 5.628 1.00 40.35 H new ATOM 0 HD12 ILE A 84 11.396 -6.345 7.395 1.00 40.35 H new ATOM 0 HD13 ILE A 84 10.322 -7.578 6.693 1.00 40.35 H new ATOM 1235 N PRO A 85 9.496 -7.431 10.361 1.00 65.41 N ATOM 1236 CA PRO A 85 9.941 -8.719 10.902 1.00 33.23 C ATOM 1237 C PRO A 85 10.132 -9.771 9.814 1.00 12.44 C ATOM 1238 O PRO A 85 9.268 -9.955 8.956 1.00 4.53 O ATOM 1239 CB PRO A 85 8.800 -9.122 11.841 1.00 44.13 C ATOM 1240 CG PRO A 85 7.602 -8.420 11.303 1.00 55.11 C ATOM 1241 CD PRO A 85 8.104 -7.125 10.727 1.00 14.31 C ATOM 0 HA PRO A 85 10.910 -8.641 11.395 1.00 33.23 H new ATOM 0 HB2 PRO A 85 8.656 -10.202 11.848 1.00 44.13 H new ATOM 0 HB3 PRO A 85 9.007 -8.821 12.868 1.00 44.13 H new ATOM 0 HG2 PRO A 85 7.108 -9.021 10.540 1.00 55.11 H new ATOM 0 HG3 PRO A 85 6.870 -8.239 12.090 1.00 55.11 H new ATOM 0 HD2 PRO A 85 7.519 -6.817 9.860 1.00 14.31 H new ATOM 0 HD3 PRO A 85 8.049 -6.314 11.453 1.00 14.31 H new ATOM 1249 N VAL A 86 11.268 -10.459 9.856 1.00 42.10 N ATOM 1250 CA VAL A 86 11.572 -11.493 8.874 1.00 32.45 C ATOM 1251 C VAL A 86 12.272 -12.680 9.526 1.00 65.31 C ATOM 1252 O VAL A 86 13.171 -12.509 10.350 1.00 61.02 O ATOM 1253 CB VAL A 86 12.458 -10.947 7.740 1.00 65.54 C ATOM 1254 CG1 VAL A 86 12.606 -11.981 6.633 1.00 51.51 C ATOM 1255 CG2 VAL A 86 11.885 -9.648 7.194 1.00 24.14 C ATOM 0 H VAL A 86 11.993 -10.319 10.560 1.00 42.10 H new ATOM 0 HA VAL A 86 10.621 -11.821 8.455 1.00 32.45 H new ATOM 0 HB VAL A 86 13.448 -10.738 8.145 1.00 65.54 H new ATOM 0 HG11 VAL A 86 13.236 -11.577 5.840 1.00 51.51 H new ATOM 0 HG12 VAL A 86 13.065 -12.883 7.037 1.00 51.51 H new ATOM 0 HG13 VAL A 86 11.624 -12.224 6.228 1.00 51.51 H new ATOM 0 HG21 VAL A 86 12.524 -9.277 6.393 1.00 24.14 H new ATOM 0 HG22 VAL A 86 10.883 -9.828 6.805 1.00 24.14 H new ATOM 0 HG23 VAL A 86 11.837 -8.908 7.993 1.00 24.14 H new ATOM 1265 N VAL A 87 11.856 -13.886 9.151 1.00 54.54 N ATOM 1266 CA VAL A 87 12.444 -15.102 9.697 1.00 62.51 C ATOM 1267 C VAL A 87 13.320 -15.801 8.663 1.00 24.13 C ATOM 1268 O VAL A 87 12.863 -16.135 7.570 1.00 63.10 O ATOM 1269 CB VAL A 87 11.359 -16.083 10.181 1.00 50.44 C ATOM 1270 CG1 VAL A 87 10.355 -16.358 9.072 1.00 51.55 C ATOM 1271 CG2 VAL A 87 11.991 -17.376 10.672 1.00 72.33 C ATOM 0 H VAL A 87 11.113 -14.046 8.471 1.00 54.54 H new ATOM 0 HA VAL A 87 13.057 -14.802 10.547 1.00 62.51 H new ATOM 0 HB VAL A 87 10.827 -15.626 11.015 1.00 50.44 H new ATOM 0 HG11 VAL A 87 9.596 -17.053 9.432 1.00 51.55 H new ATOM 0 HG12 VAL A 87 9.879 -15.424 8.772 1.00 51.55 H new ATOM 0 HG13 VAL A 87 10.869 -16.794 8.216 1.00 51.55 H new ATOM 0 HG21 VAL A 87 11.210 -18.057 11.010 1.00 72.33 H new ATOM 0 HG22 VAL A 87 12.550 -17.839 9.859 1.00 72.33 H new ATOM 0 HG23 VAL A 87 12.667 -17.159 11.499 1.00 72.33 H new ATOM 1281 N PHE A 88 14.583 -16.020 9.017 1.00 54.14 N ATOM 1282 CA PHE A 88 15.524 -16.679 8.119 1.00 4.03 C ATOM 1283 C PHE A 88 16.086 -17.947 8.756 1.00 3.42 C ATOM 1284 O PHE A 88 16.089 -18.091 9.979 1.00 71.44 O ATOM 1285 CB PHE A 88 16.667 -15.728 7.756 1.00 14.32 C ATOM 1286 CG PHE A 88 17.589 -15.433 8.904 1.00 0.23 C ATOM 1287 CD1 PHE A 88 18.865 -15.971 8.941 1.00 61.21 C ATOM 1288 CD2 PHE A 88 17.180 -14.618 9.947 1.00 13.43 C ATOM 1289 CE1 PHE A 88 19.717 -15.702 9.996 1.00 53.42 C ATOM 1290 CE2 PHE A 88 18.027 -14.344 11.004 1.00 31.14 C ATOM 1291 CZ PHE A 88 19.296 -14.888 11.029 1.00 4.34 C ATOM 0 H PHE A 88 14.977 -15.751 9.918 1.00 54.14 H new ATOM 0 HA PHE A 88 14.988 -16.956 7.211 1.00 4.03 H new ATOM 0 HB2 PHE A 88 17.244 -16.161 6.939 1.00 14.32 H new ATOM 0 HB3 PHE A 88 16.247 -14.792 7.388 1.00 14.32 H new ATOM 0 HD1 PHE A 88 19.198 -16.609 8.136 1.00 61.21 H new ATOM 0 HD2 PHE A 88 16.188 -14.192 9.934 1.00 13.43 H new ATOM 0 HE1 PHE A 88 20.710 -16.127 10.012 1.00 53.42 H new ATOM 0 HE2 PHE A 88 17.697 -13.705 11.810 1.00 31.14 H new ATOM 0 HZ PHE A 88 19.958 -14.677 11.855 1.00 4.34 H new ATOM 1301 N SER A 89 16.561 -18.862 7.918 1.00 21.50 N ATOM 1302 CA SER A 89 17.122 -20.120 8.398 1.00 73.23 C ATOM 1303 C SER A 89 18.506 -20.360 7.803 1.00 41.21 C ATOM 1304 O SER A 89 18.790 -19.949 6.677 1.00 34.54 O ATOM 1305 CB SER A 89 16.194 -21.284 8.044 1.00 31.23 C ATOM 1306 OG SER A 89 15.387 -21.648 9.151 1.00 2.32 O ATOM 0 H SER A 89 16.569 -18.756 6.904 1.00 21.50 H new ATOM 0 HA SER A 89 17.218 -20.057 9.482 1.00 73.23 H new ATOM 0 HB2 SER A 89 15.559 -21.004 7.203 1.00 31.23 H new ATOM 0 HB3 SER A 89 16.786 -22.141 7.724 1.00 31.23 H new ATOM 0 HG SER A 89 15.960 -21.925 9.897 1.00 2.32 H new ATOM 1312 N ARG A 90 19.364 -21.027 8.568 1.00 62.04 N ATOM 1313 CA ARG A 90 20.720 -21.321 8.118 1.00 54.20 C ATOM 1314 C ARG A 90 20.954 -22.827 8.047 1.00 5.11 C ATOM 1315 O ARG A 90 21.535 -23.418 8.958 1.00 74.32 O ATOM 1316 CB ARG A 90 21.742 -20.678 9.057 1.00 31.12 C ATOM 1317 CG ARG A 90 23.102 -20.454 8.416 1.00 33.51 C ATOM 1318 CD ARG A 90 24.212 -20.440 9.455 1.00 30.42 C ATOM 1319 NE ARG A 90 25.420 -19.790 8.956 1.00 4.52 N ATOM 1320 CZ ARG A 90 25.570 -18.471 8.886 1.00 33.42 C ATOM 1321 NH1 ARG A 90 24.592 -17.668 9.282 1.00 72.25 N ATOM 1322 NH2 ARG A 90 26.699 -17.954 8.420 1.00 25.34 N ATOM 0 H ARG A 90 19.145 -21.374 9.502 1.00 62.04 H new ATOM 0 HA ARG A 90 20.843 -20.904 7.118 1.00 54.20 H new ATOM 0 HB2 ARG A 90 21.352 -19.722 9.405 1.00 31.12 H new ATOM 0 HB3 ARG A 90 21.864 -21.311 9.936 1.00 31.12 H new ATOM 0 HG2 ARG A 90 23.295 -21.240 7.686 1.00 33.51 H new ATOM 0 HG3 ARG A 90 23.098 -19.509 7.873 1.00 33.51 H new ATOM 0 HD2 ARG A 90 23.865 -19.922 10.349 1.00 30.42 H new ATOM 0 HD3 ARG A 90 24.446 -21.463 9.749 1.00 30.42 H new ATOM 0 HE ARG A 90 26.191 -20.380 8.644 1.00 4.52 H new ATOM 0 HH11 ARG A 90 23.722 -18.062 9.641 1.00 72.25 H new ATOM 0 HH12 ARG A 90 24.709 -16.656 9.227 1.00 72.25 H new ATOM 0 HH21 ARG A 90 27.454 -18.569 8.115 1.00 25.34 H new ATOM 0 HH22 ARG A 90 26.813 -16.942 8.367 1.00 25.34 H new ATOM 1336 N ASP A 91 20.500 -23.441 6.960 1.00 14.34 N ATOM 1337 CA ASP A 91 20.660 -24.878 6.770 1.00 44.50 C ATOM 1338 C ASP A 91 19.936 -25.655 7.864 1.00 32.13 C ATOM 1339 O ASP A 91 20.433 -26.669 8.353 1.00 4.51 O ATOM 1340 CB ASP A 91 22.144 -25.249 6.760 1.00 71.42 C ATOM 1341 CG ASP A 91 23.003 -24.185 6.106 1.00 1.24 C ATOM 1342 OD1 ASP A 91 23.741 -23.488 6.835 1.00 50.05 O ATOM 1343 OD2 ASP A 91 22.938 -24.049 4.867 1.00 64.11 O ATOM 0 H ASP A 91 20.018 -22.966 6.197 1.00 14.34 H new ATOM 0 HA ASP A 91 20.220 -25.144 5.809 1.00 44.50 H new ATOM 0 HB2 ASP A 91 22.483 -25.406 7.784 1.00 71.42 H new ATOM 0 HB3 ASP A 91 22.276 -26.193 6.232 1.00 71.42 H new ATOM 1348 N GLY A 92 18.757 -25.172 8.245 1.00 30.12 N ATOM 1349 CA GLY A 92 17.984 -25.833 9.280 1.00 33.41 C ATOM 1350 C GLY A 92 18.102 -25.141 10.624 1.00 71.54 C ATOM 1351 O GLY A 92 17.710 -25.694 11.651 1.00 30.24 O ATOM 0 H GLY A 92 18.324 -24.335 7.855 1.00 30.12 H new ATOM 0 HA2 GLY A 92 16.936 -25.865 8.982 1.00 33.41 H new ATOM 0 HA3 GLY A 92 18.319 -26.866 9.376 1.00 33.41 H new ATOM 1355 N VAL A 93 18.645 -23.928 10.617 1.00 24.40 N ATOM 1356 CA VAL A 93 18.815 -23.160 11.844 1.00 30.05 C ATOM 1357 C VAL A 93 17.680 -22.159 12.027 1.00 11.14 C ATOM 1358 O VAL A 93 17.156 -21.613 11.056 1.00 21.40 O ATOM 1359 CB VAL A 93 20.157 -22.405 11.853 1.00 43.31 C ATOM 1360 CG1 VAL A 93 20.253 -21.500 13.072 1.00 42.55 C ATOM 1361 CG2 VAL A 93 21.320 -23.385 11.814 1.00 51.02 C ATOM 0 H VAL A 93 18.975 -23.456 9.775 1.00 24.40 H new ATOM 0 HA VAL A 93 18.803 -23.874 12.668 1.00 30.05 H new ATOM 0 HB VAL A 93 20.208 -21.780 10.961 1.00 43.31 H new ATOM 0 HG11 VAL A 93 21.208 -20.975 13.061 1.00 42.55 H new ATOM 0 HG12 VAL A 93 19.440 -20.775 13.052 1.00 42.55 H new ATOM 0 HG13 VAL A 93 20.180 -22.101 13.978 1.00 42.55 H new ATOM 0 HG21 VAL A 93 22.260 -22.834 11.821 1.00 51.02 H new ATOM 0 HG22 VAL A 93 21.275 -24.038 12.686 1.00 51.02 H new ATOM 0 HG23 VAL A 93 21.259 -23.987 10.907 1.00 51.02 H new ATOM 1371 N VAL A 94 17.304 -21.921 13.280 1.00 20.11 N ATOM 1372 CA VAL A 94 16.232 -20.984 13.592 1.00 55.24 C ATOM 1373 C VAL A 94 16.785 -19.692 14.183 1.00 31.33 C ATOM 1374 O VAL A 94 17.320 -19.685 15.291 1.00 1.14 O ATOM 1375 CB VAL A 94 15.220 -21.596 14.579 1.00 43.00 C ATOM 1376 CG1 VAL A 94 14.102 -20.610 14.878 1.00 13.41 C ATOM 1377 CG2 VAL A 94 14.660 -22.899 14.028 1.00 3.32 C ATOM 0 H VAL A 94 17.727 -22.365 14.095 1.00 20.11 H new ATOM 0 HA VAL A 94 15.724 -20.762 12.654 1.00 55.24 H new ATOM 0 HB VAL A 94 15.737 -21.815 15.513 1.00 43.00 H new ATOM 0 HG11 VAL A 94 13.397 -21.060 15.577 1.00 13.41 H new ATOM 0 HG12 VAL A 94 14.522 -19.706 15.318 1.00 13.41 H new ATOM 0 HG13 VAL A 94 13.584 -20.356 13.953 1.00 13.41 H new ATOM 0 HG21 VAL A 94 13.947 -23.318 14.738 1.00 3.32 H new ATOM 0 HG22 VAL A 94 14.158 -22.707 13.080 1.00 3.32 H new ATOM 0 HG23 VAL A 94 15.474 -23.607 13.871 1.00 3.32 H new ATOM 1387 N MET A 95 16.652 -18.601 13.437 1.00 74.04 N ATOM 1388 CA MET A 95 17.137 -17.302 13.889 1.00 61.35 C ATOM 1389 C MET A 95 16.267 -16.176 13.341 1.00 53.24 C ATOM 1390 O MET A 95 15.751 -16.263 12.226 1.00 4.11 O ATOM 1391 CB MET A 95 18.590 -17.098 13.454 1.00 14.41 C ATOM 1392 CG MET A 95 19.241 -15.870 14.069 1.00 14.54 C ATOM 1393 SD MET A 95 19.481 -16.029 15.849 1.00 31.03 S ATOM 1394 CE MET A 95 20.988 -16.996 15.902 1.00 34.13 C ATOM 0 H MET A 95 16.212 -18.590 12.517 1.00 74.04 H new ATOM 0 HA MET A 95 17.084 -17.280 14.978 1.00 61.35 H new ATOM 0 HB2 MET A 95 19.169 -17.981 13.725 1.00 14.41 H new ATOM 0 HB3 MET A 95 18.627 -17.014 12.368 1.00 14.41 H new ATOM 0 HG2 MET A 95 20.205 -15.696 13.590 1.00 14.54 H new ATOM 0 HG3 MET A 95 18.622 -14.996 13.866 1.00 14.54 H new ATOM 0 HE1 MET A 95 21.267 -17.178 16.940 1.00 34.13 H new ATOM 0 HE2 MET A 95 20.827 -17.948 15.397 1.00 34.13 H new ATOM 0 HE3 MET A 95 21.788 -16.451 15.401 1.00 34.13 H new ATOM 1404 N SER A 96 16.107 -15.119 14.131 1.00 32.43 N ATOM 1405 CA SER A 96 15.295 -13.978 13.727 1.00 41.54 C ATOM 1406 C SER A 96 16.162 -12.738 13.529 1.00 50.25 C ATOM 1407 O SER A 96 17.015 -12.424 14.358 1.00 31.43 O ATOM 1408 CB SER A 96 14.215 -13.697 14.773 1.00 52.52 C ATOM 1409 OG SER A 96 14.725 -12.909 15.834 1.00 4.14 O ATOM 0 H SER A 96 16.529 -15.029 15.055 1.00 32.43 H new ATOM 0 HA SER A 96 14.817 -14.222 12.778 1.00 41.54 H new ATOM 0 HB2 SER A 96 13.376 -13.183 14.305 1.00 52.52 H new ATOM 0 HB3 SER A 96 13.832 -14.638 15.167 1.00 52.52 H new ATOM 0 HG SER A 96 14.015 -12.742 16.488 1.00 4.14 H new ATOM 1415 N ALA A 97 15.936 -12.036 12.422 1.00 24.44 N ATOM 1416 CA ALA A 97 16.694 -10.830 12.115 1.00 4.10 C ATOM 1417 C ALA A 97 15.798 -9.759 11.503 1.00 73.33 C ATOM 1418 O ALA A 97 14.924 -10.057 10.687 1.00 23.41 O ATOM 1419 CB ALA A 97 17.847 -11.156 11.177 1.00 41.42 C ATOM 0 H ALA A 97 15.234 -12.282 11.724 1.00 24.44 H new ATOM 0 HA ALA A 97 17.099 -10.438 13.048 1.00 4.10 H new ATOM 0 HB1 ALA A 97 18.405 -10.246 10.956 1.00 41.42 H new ATOM 0 HB2 ALA A 97 18.508 -11.881 11.652 1.00 41.42 H new ATOM 0 HB3 ALA A 97 17.455 -11.575 10.250 1.00 41.42 H new ATOM 1425 N THR A 98 16.018 -8.510 11.901 1.00 20.33 N ATOM 1426 CA THR A 98 15.229 -7.395 11.393 1.00 32.42 C ATOM 1427 C THR A 98 15.770 -6.903 10.056 1.00 41.20 C ATOM 1428 O THR A 98 16.956 -6.597 9.931 1.00 63.13 O ATOM 1429 CB THR A 98 15.209 -6.221 12.390 1.00 74.11 C ATOM 1430 OG1 THR A 98 14.696 -6.659 13.653 1.00 21.41 O ATOM 1431 CG2 THR A 98 14.357 -5.077 11.861 1.00 41.11 C ATOM 0 H THR A 98 16.737 -8.245 12.574 1.00 20.33 H new ATOM 0 HA THR A 98 14.212 -7.763 11.257 1.00 32.42 H new ATOM 0 HB THR A 98 16.231 -5.864 12.517 1.00 74.11 H new ATOM 0 HG1 THR A 98 14.688 -5.907 14.281 1.00 21.41 H new ATOM 0 HG21 THR A 98 14.358 -4.259 12.582 1.00 41.11 H new ATOM 0 HG22 THR A 98 14.767 -4.726 10.914 1.00 41.11 H new ATOM 0 HG23 THR A 98 13.335 -5.425 11.708 1.00 41.11 H new ATOM 1439 N ILE A 99 14.894 -6.828 9.060 1.00 51.31 N ATOM 1440 CA ILE A 99 15.285 -6.370 7.732 1.00 32.13 C ATOM 1441 C ILE A 99 14.759 -4.965 7.458 1.00 21.12 C ATOM 1442 O ILE A 99 13.559 -4.708 7.561 1.00 64.41 O ATOM 1443 CB ILE A 99 14.771 -7.321 6.635 1.00 24.22 C ATOM 1444 CG1 ILE A 99 14.960 -8.778 7.063 1.00 2.04 C ATOM 1445 CG2 ILE A 99 15.491 -7.052 5.322 1.00 74.12 C ATOM 1446 CD1 ILE A 99 16.389 -9.122 7.424 1.00 54.35 C ATOM 0 H ILE A 99 13.909 -7.078 9.147 1.00 51.31 H new ATOM 0 HA ILE A 99 16.375 -6.358 7.710 1.00 32.13 H new ATOM 0 HB ILE A 99 13.706 -7.140 6.487 1.00 24.22 H new ATOM 0 HG12 ILE A 99 14.318 -8.983 7.920 1.00 2.04 H new ATOM 0 HG13 ILE A 99 14.631 -9.431 6.255 1.00 2.04 H new ATOM 0 HG21 ILE A 99 15.117 -7.732 4.556 1.00 74.12 H new ATOM 0 HG22 ILE A 99 15.311 -6.022 5.013 1.00 74.12 H new ATOM 0 HG23 ILE A 99 16.561 -7.209 5.455 1.00 74.12 H new ATOM 0 HD11 ILE A 99 16.448 -10.170 7.717 1.00 54.35 H new ATOM 0 HD12 ILE A 99 17.034 -8.950 6.562 1.00 54.35 H new ATOM 0 HD13 ILE A 99 16.716 -8.494 8.253 1.00 54.35 H new ATOM 1458 N VAL A 100 15.665 -4.058 7.107 1.00 22.11 N ATOM 1459 CA VAL A 100 15.293 -2.679 6.815 1.00 70.12 C ATOM 1460 C VAL A 100 15.336 -2.404 5.316 1.00 74.32 C ATOM 1461 O VAL A 100 16.405 -2.389 4.707 1.00 63.35 O ATOM 1462 CB VAL A 100 16.221 -1.683 7.535 1.00 51.42 C ATOM 1463 CG1 VAL A 100 15.929 -1.664 9.027 1.00 0.25 C ATOM 1464 CG2 VAL A 100 17.679 -2.028 7.273 1.00 70.14 C ATOM 0 H VAL A 100 16.662 -4.254 7.018 1.00 22.11 H new ATOM 0 HA VAL A 100 14.274 -2.542 7.178 1.00 70.12 H new ATOM 0 HB VAL A 100 16.031 -0.685 7.139 1.00 51.42 H new ATOM 0 HG11 VAL A 100 16.594 -0.955 9.519 1.00 0.25 H new ATOM 0 HG12 VAL A 100 14.894 -1.365 9.191 1.00 0.25 H new ATOM 0 HG13 VAL A 100 16.089 -2.659 9.442 1.00 0.25 H new ATOM 0 HG21 VAL A 100 18.320 -1.314 7.789 1.00 70.14 H new ATOM 0 HG22 VAL A 100 17.887 -3.033 7.640 1.00 70.14 H new ATOM 0 HG23 VAL A 100 17.876 -1.984 6.202 1.00 70.14 H new ATOM 1474 N VAL A 101 14.164 -2.187 4.726 1.00 4.40 N ATOM 1475 CA VAL A 101 14.067 -1.910 3.298 1.00 63.43 C ATOM 1476 C VAL A 101 13.835 -0.426 3.040 1.00 52.14 C ATOM 1477 O VAL A 101 12.937 0.183 3.620 1.00 21.34 O ATOM 1478 CB VAL A 101 12.929 -2.718 2.646 1.00 41.10 C ATOM 1479 CG1 VAL A 101 12.824 -2.392 1.164 1.00 15.10 C ATOM 1480 CG2 VAL A 101 13.145 -4.209 2.858 1.00 11.33 C ATOM 0 H VAL A 101 13.269 -2.198 5.215 1.00 4.40 H new ATOM 0 HA VAL A 101 15.016 -2.208 2.853 1.00 63.43 H new ATOM 0 HB VAL A 101 11.989 -2.439 3.123 1.00 41.10 H new ATOM 0 HG11 VAL A 101 12.015 -2.972 0.720 1.00 15.10 H new ATOM 0 HG12 VAL A 101 12.619 -1.329 1.039 1.00 15.10 H new ATOM 0 HG13 VAL A 101 13.763 -2.641 0.669 1.00 15.10 H new ATOM 0 HG21 VAL A 101 12.332 -4.764 2.391 1.00 11.33 H new ATOM 0 HG22 VAL A 101 14.093 -4.507 2.409 1.00 11.33 H new ATOM 0 HG23 VAL A 101 13.166 -4.425 3.926 1.00 11.33 H new ATOM 1490 N GLY A 102 14.651 0.152 2.163 1.00 73.21 N ATOM 1491 CA GLY A 102 14.517 1.561 1.842 1.00 25.15 C ATOM 1492 C GLY A 102 14.063 1.790 0.415 1.00 42.43 C ATOM 1493 O GLY A 102 14.810 1.536 -0.529 1.00 64.51 O ATOM 0 H GLY A 102 15.402 -0.330 1.669 1.00 73.21 H new ATOM 0 HA2 GLY A 102 13.802 2.020 2.525 1.00 25.15 H new ATOM 0 HA3 GLY A 102 15.474 2.059 2.000 1.00 25.15 H new ATOM 1497 N GLU A 103 12.834 2.272 0.256 1.00 20.54 N ATOM 1498 CA GLU A 103 12.281 2.532 -1.068 1.00 2.35 C ATOM 1499 C GLU A 103 12.766 3.876 -1.605 1.00 21.24 C ATOM 1500 O GLU A 103 13.016 4.025 -2.801 1.00 40.35 O ATOM 1501 CB GLU A 103 10.752 2.512 -1.019 1.00 70.11 C ATOM 1502 CG GLU A 103 10.154 1.134 -1.248 1.00 21.14 C ATOM 1503 CD GLU A 103 8.639 1.157 -1.303 1.00 51.32 C ATOM 1504 OE1 GLU A 103 8.064 0.408 -2.120 1.00 63.25 O ATOM 1505 OE2 GLU A 103 8.028 1.925 -0.530 1.00 60.54 O ATOM 0 H GLU A 103 12.203 2.490 1.027 1.00 20.54 H new ATOM 0 HA GLU A 103 12.626 1.746 -1.739 1.00 2.35 H new ATOM 0 HB2 GLU A 103 10.423 2.885 -0.049 1.00 70.11 H new ATOM 0 HB3 GLU A 103 10.364 3.197 -1.773 1.00 70.11 H new ATOM 0 HG2 GLU A 103 10.541 0.724 -2.181 1.00 21.14 H new ATOM 0 HG3 GLU A 103 10.475 0.466 -0.449 1.00 21.14 H new ATOM 1512 N LEU A 104 12.896 4.851 -0.712 1.00 23.22 N ATOM 1513 CA LEU A 104 13.351 6.183 -1.095 1.00 12.14 C ATOM 1514 C LEU A 104 14.684 6.515 -0.432 1.00 11.11 C ATOM 1515 O LEU A 104 14.722 7.128 0.634 1.00 13.22 O ATOM 1516 CB LEU A 104 12.303 7.230 -0.712 1.00 4.30 C ATOM 1517 CG LEU A 104 11.023 7.235 -1.547 1.00 53.04 C ATOM 1518 CD1 LEU A 104 11.354 7.238 -3.032 1.00 13.43 C ATOM 1519 CD2 LEU A 104 10.152 6.037 -1.196 1.00 2.31 C ATOM 0 H LEU A 104 12.693 4.744 0.282 1.00 23.22 H new ATOM 0 HA LEU A 104 13.491 6.196 -2.176 1.00 12.14 H new ATOM 0 HB2 LEU A 104 12.031 7.077 0.332 1.00 4.30 H new ATOM 0 HB3 LEU A 104 12.762 8.216 -0.781 1.00 4.30 H new ATOM 0 HG LEU A 104 10.466 8.144 -1.318 1.00 53.04 H new ATOM 0 HD11 LEU A 104 10.430 7.242 -3.611 1.00 13.43 H new ATOM 0 HD12 LEU A 104 11.937 8.127 -3.273 1.00 13.43 H new ATOM 0 HD13 LEU A 104 11.933 6.347 -3.278 1.00 13.43 H new ATOM 0 HD21 LEU A 104 9.245 6.057 -1.800 1.00 2.31 H new ATOM 0 HD22 LEU A 104 10.701 5.117 -1.396 1.00 2.31 H new ATOM 0 HD23 LEU A 104 9.885 6.078 -0.140 1.00 2.31 H new ATOM 1531 N GLU A 105 15.775 6.107 -1.072 1.00 42.34 N ATOM 1532 CA GLU A 105 17.110 6.363 -0.545 1.00 2.12 C ATOM 1533 C GLU A 105 17.276 5.743 0.839 1.00 24.44 C ATOM 1534 O GLU A 105 18.126 4.876 1.044 1.00 41.42 O ATOM 1535 CB GLU A 105 17.376 7.868 -0.476 1.00 52.50 C ATOM 1536 CG GLU A 105 18.742 8.270 -1.006 1.00 11.41 C ATOM 1537 CD GLU A 105 18.891 9.772 -1.155 1.00 4.05 C ATOM 1538 OE1 GLU A 105 19.487 10.400 -0.254 1.00 50.32 O ATOM 1539 OE2 GLU A 105 18.413 10.319 -2.170 1.00 30.20 O ATOM 0 H GLU A 105 15.761 5.598 -1.956 1.00 42.34 H new ATOM 0 HA GLU A 105 17.833 5.904 -1.220 1.00 2.12 H new ATOM 0 HB2 GLU A 105 16.607 8.391 -1.045 1.00 52.50 H new ATOM 0 HB3 GLU A 105 17.286 8.197 0.559 1.00 52.50 H new ATOM 0 HG2 GLU A 105 19.513 7.897 -0.332 1.00 11.41 H new ATOM 0 HG3 GLU A 105 18.907 7.795 -1.973 1.00 11.41 H new TER 1546 GLU A 105