USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=25 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 Set 1.1: A 22 THR OG1 : rot 180:sc= -0.686 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= -0.0245 USER MOD Set 1.3: A 55 GLN : amide:sc= -3.19 K(o=-3.9,f=-4.4) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.113 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= -0.08 USER MOD Single : A 20 CYS SG : rot -129:sc= 0.00347 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 26 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 29 THR OG1 : rot -30:sc= 0.84 USER MOD Single : A 30 GLN : amide:sc= -2.23 K(o=-2.2,f=-4.1!) USER MOD Single : A 31 THR OG1 : rot -74:sc= 0.555 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 35 SER OG : rot -171:sc= -0.0921 USER MOD Single : A 36 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 42 MET CE :methyl 155:sc= -0.327 (180deg=-0.958) USER MOD Single : A 62 TYR OH : rot 79:sc= -4.6! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.103 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.581 F(o=-1.5,f=-0.58) USER MOD Single : A 72 THR OG1 : rot -89:sc= 0.453 USER MOD Single : A 77 HIS : no HE2:sc= -2.7! C(o=-2.7!,f=-11!) USER MOD Single : A 81 SER OG : rot 57:sc= 0.905 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 113:sc= 1.31 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.003 0.668 -1.855 1.00 54.21 N ATOM 2 CA PRO A 1 3.873 -0.295 -2.536 1.00 51.24 C ATOM 3 C PRO A 1 3.192 -0.943 -3.737 1.00 43.33 C ATOM 4 O PRO A 1 1.964 -1.001 -3.811 1.00 21.20 O ATOM 5 CB PRO A 1 4.159 -1.340 -1.456 1.00 25.43 C ATOM 6 CG PRO A 1 2.998 -1.253 -0.527 1.00 2.03 C ATOM 7 CD PRO A 1 2.572 0.189 -0.531 1.00 2.12 C ATOM 0 H2 PRO A 1 2.182 0.850 -2.433 1.00 54.21 H new ATOM 0 H3 PRO A 1 3.496 1.555 -1.750 1.00 54.21 H new ATOM 0 HA PRO A 1 4.769 0.178 -2.938 1.00 51.24 H new ATOM 0 HB2 PRO A 1 4.249 -2.338 -1.885 1.00 25.43 H new ATOM 0 HB3 PRO A 1 5.096 -1.130 -0.940 1.00 25.43 H new ATOM 0 HG2 PRO A 1 2.186 -1.901 -0.856 1.00 2.03 H new ATOM 0 HG3 PRO A 1 3.276 -1.575 0.477 1.00 2.03 H new ATOM 0 HD2 PRO A 1 1.495 0.290 -0.398 1.00 2.12 H new ATOM 0 HD3 PRO A 1 3.047 0.751 0.274 1.00 2.12 H new ATOM 15 N LEU A 2 3.997 -1.429 -4.676 1.00 54.32 N ATOM 16 CA LEU A 2 3.472 -2.074 -5.875 1.00 14.43 C ATOM 17 C LEU A 2 4.541 -2.931 -6.545 1.00 13.33 C ATOM 18 O LEU A 2 4.507 -3.152 -7.756 1.00 14.13 O ATOM 19 CB LEU A 2 2.954 -1.023 -6.858 1.00 41.53 C ATOM 20 CG LEU A 2 1.864 -1.487 -7.825 1.00 10.22 C ATOM 21 CD1 LEU A 2 0.487 -1.293 -7.209 1.00 71.31 C ATOM 22 CD2 LEU A 2 1.969 -0.739 -9.146 1.00 62.52 C ATOM 0 H LEU A 2 5.015 -1.389 -4.630 1.00 54.32 H new ATOM 0 HA LEU A 2 2.647 -2.722 -5.578 1.00 14.43 H new ATOM 0 HB2 LEU A 2 2.569 -0.179 -6.286 1.00 41.53 H new ATOM 0 HB3 LEU A 2 3.797 -0.654 -7.442 1.00 41.53 H new ATOM 0 HG LEU A 2 2.006 -2.550 -8.020 1.00 10.22 H new ATOM 0 HD11 LEU A 2 -0.276 -1.628 -7.911 1.00 71.31 H new ATOM 0 HD12 LEU A 2 0.415 -1.874 -6.289 1.00 71.31 H new ATOM 0 HD13 LEU A 2 0.334 -0.237 -6.984 1.00 71.31 H new ATOM 0 HD21 LEU A 2 1.186 -1.082 -9.822 1.00 62.52 H new ATOM 0 HD22 LEU A 2 1.853 0.330 -8.969 1.00 62.52 H new ATOM 0 HD23 LEU A 2 2.944 -0.929 -9.595 1.00 62.52 H new ATOM 34 N THR A 3 5.490 -3.414 -5.748 1.00 53.45 N ATOM 35 CA THR A 3 6.568 -4.247 -6.264 1.00 23.55 C ATOM 36 C THR A 3 6.177 -5.721 -6.254 1.00 10.25 C ATOM 37 O THR A 3 5.177 -6.103 -5.645 1.00 61.04 O ATOM 38 CB THR A 3 7.860 -4.065 -5.444 1.00 35.43 C ATOM 39 OG1 THR A 3 8.957 -4.699 -6.111 1.00 12.11 O ATOM 40 CG2 THR A 3 7.702 -4.651 -4.048 1.00 53.34 C ATOM 0 H THR A 3 5.533 -3.242 -4.743 1.00 53.45 H new ATOM 0 HA THR A 3 6.750 -3.929 -7.291 1.00 23.55 H new ATOM 0 HB THR A 3 8.059 -2.997 -5.353 1.00 35.43 H new ATOM 0 HG1 THR A 3 9.774 -4.577 -5.584 1.00 12.11 H new ATOM 0 HG21 THR A 3 8.626 -4.511 -3.488 1.00 53.34 H new ATOM 0 HG22 THR A 3 6.885 -4.147 -3.532 1.00 53.34 H new ATOM 0 HG23 THR A 3 7.481 -5.716 -4.123 1.00 53.34 H new ATOM 48 N ARG A 4 6.971 -6.544 -6.930 1.00 44.20 N ATOM 49 CA ARG A 4 6.707 -7.976 -6.999 1.00 1.10 C ATOM 50 C ARG A 4 7.816 -8.767 -6.312 1.00 30.24 C ATOM 51 O ARG A 4 8.928 -8.279 -6.111 1.00 42.22 O ATOM 52 CB ARG A 4 6.576 -8.422 -8.456 1.00 75.23 C ATOM 53 CG ARG A 4 5.149 -8.380 -8.980 1.00 22.43 C ATOM 54 CD ARG A 4 4.988 -9.237 -10.226 1.00 13.31 C ATOM 55 NE ARG A 4 3.597 -9.304 -10.667 1.00 62.42 N ATOM 56 CZ ARG A 4 3.201 -9.963 -11.751 1.00 22.24 C ATOM 57 NH1 ARG A 4 4.086 -10.608 -12.499 1.00 12.31 N ATOM 58 NH2 ARG A 4 1.918 -9.978 -12.087 1.00 72.51 N ATOM 0 H ARG A 4 7.803 -6.244 -7.438 1.00 44.20 H new ATOM 0 HA ARG A 4 5.769 -8.172 -6.480 1.00 1.10 H new ATOM 0 HB2 ARG A 4 7.202 -7.784 -9.080 1.00 75.23 H new ATOM 0 HB3 ARG A 4 6.960 -9.438 -8.552 1.00 75.23 H new ATOM 0 HG2 ARG A 4 4.466 -8.729 -8.206 1.00 22.43 H new ATOM 0 HG3 ARG A 4 4.874 -7.350 -9.207 1.00 22.43 H new ATOM 0 HD2 ARG A 4 5.604 -8.830 -11.028 1.00 13.31 H new ATOM 0 HD3 ARG A 4 5.353 -10.244 -10.023 1.00 13.31 H new ATOM 0 HE ARG A 4 2.891 -8.819 -10.113 1.00 62.42 H new ATOM 0 HH11 ARG A 4 5.073 -10.599 -12.243 1.00 12.31 H new ATOM 0 HH12 ARG A 4 3.779 -11.113 -13.330 1.00 12.31 H new ATOM 0 HH21 ARG A 4 1.235 -9.484 -11.513 1.00 72.51 H new ATOM 0 HH22 ARG A 4 1.615 -10.484 -12.919 1.00 72.51 H new ATOM 72 N PRO A 5 7.508 -10.019 -5.941 1.00 14.23 N ATOM 73 CA PRO A 5 8.464 -10.904 -5.270 1.00 63.22 C ATOM 74 C PRO A 5 9.589 -11.352 -6.198 1.00 53.40 C ATOM 75 O PRO A 5 9.600 -12.487 -6.673 1.00 75.43 O ATOM 76 CB PRO A 5 7.607 -12.102 -4.853 1.00 1.32 C ATOM 77 CG PRO A 5 6.470 -12.108 -5.816 1.00 4.23 C ATOM 78 CD PRO A 5 6.201 -10.666 -6.148 1.00 23.11 C ATOM 0 HA PRO A 5 8.962 -10.408 -4.437 1.00 63.22 H new ATOM 0 HB2 PRO A 5 8.174 -13.031 -4.904 1.00 1.32 H new ATOM 0 HB3 PRO A 5 7.256 -11.999 -3.826 1.00 1.32 H new ATOM 0 HG2 PRO A 5 6.721 -12.675 -6.713 1.00 4.23 H new ATOM 0 HG3 PRO A 5 5.590 -12.578 -5.378 1.00 4.23 H new ATOM 0 HD2 PRO A 5 5.852 -10.548 -7.174 1.00 23.11 H new ATOM 0 HD3 PRO A 5 5.435 -10.241 -5.500 1.00 23.11 H new ATOM 86 N TYR A 6 10.533 -10.453 -6.451 1.00 42.44 N ATOM 87 CA TYR A 6 11.661 -10.755 -7.324 1.00 44.43 C ATOM 88 C TYR A 6 12.965 -10.799 -6.534 1.00 23.15 C ATOM 89 O TYR A 6 13.303 -9.856 -5.816 1.00 60.43 O ATOM 90 CB TYR A 6 11.764 -9.713 -8.440 1.00 14.24 C ATOM 91 CG TYR A 6 11.686 -10.304 -9.829 1.00 43.32 C ATOM 92 CD1 TYR A 6 12.834 -10.719 -10.493 1.00 40.35 C ATOM 93 CD2 TYR A 6 10.466 -10.446 -10.478 1.00 62.22 C ATOM 94 CE1 TYR A 6 12.769 -11.259 -11.763 1.00 55.45 C ATOM 95 CE2 TYR A 6 10.391 -10.986 -11.747 1.00 60.34 C ATOM 96 CZ TYR A 6 11.545 -11.391 -12.386 1.00 12.31 C ATOM 97 OH TYR A 6 11.474 -11.928 -13.651 1.00 3.11 O ATOM 0 H TYR A 6 10.540 -9.509 -6.064 1.00 42.44 H new ATOM 0 HA TYR A 6 11.491 -11.737 -7.767 1.00 44.43 H new ATOM 0 HB2 TYR A 6 10.963 -8.983 -8.319 1.00 14.24 H new ATOM 0 HB3 TYR A 6 12.705 -9.173 -8.336 1.00 14.24 H new ATOM 0 HD1 TYR A 6 13.794 -10.618 -10.008 1.00 40.35 H new ATOM 0 HD2 TYR A 6 9.561 -10.129 -9.982 1.00 62.22 H new ATOM 0 HE1 TYR A 6 13.671 -11.576 -12.265 1.00 55.45 H new ATOM 0 HE2 TYR A 6 9.434 -11.091 -12.237 1.00 60.34 H new ATOM 0 HH TYR A 6 10.539 -11.951 -13.944 1.00 3.11 H new ATOM 107 N LEU A 7 13.695 -11.901 -6.670 1.00 51.22 N ATOM 108 CA LEU A 7 14.963 -12.070 -5.970 1.00 23.22 C ATOM 109 C LEU A 7 16.134 -11.653 -6.854 1.00 52.34 C ATOM 110 O LEU A 7 16.279 -12.134 -7.977 1.00 51.24 O ATOM 111 CB LEU A 7 15.135 -13.525 -5.530 1.00 23.20 C ATOM 112 CG LEU A 7 15.063 -14.575 -6.640 1.00 13.25 C ATOM 113 CD1 LEU A 7 16.238 -15.535 -6.543 1.00 73.52 C ATOM 114 CD2 LEU A 7 13.745 -15.333 -6.571 1.00 51.33 C ATOM 0 H LEU A 7 13.430 -12.691 -7.259 1.00 51.22 H new ATOM 0 HA LEU A 7 14.951 -11.429 -5.089 1.00 23.22 H new ATOM 0 HB2 LEU A 7 16.098 -13.621 -5.029 1.00 23.20 H new ATOM 0 HB3 LEU A 7 14.367 -13.753 -4.791 1.00 23.20 H new ATOM 0 HG LEU A 7 15.116 -14.065 -7.602 1.00 13.25 H new ATOM 0 HD11 LEU A 7 16.170 -16.275 -7.341 1.00 73.52 H new ATOM 0 HD12 LEU A 7 17.171 -14.980 -6.642 1.00 73.52 H new ATOM 0 HD13 LEU A 7 16.217 -16.040 -5.577 1.00 73.52 H new ATOM 0 HD21 LEU A 7 13.710 -16.076 -7.368 1.00 51.33 H new ATOM 0 HD22 LEU A 7 13.662 -15.832 -5.606 1.00 51.33 H new ATOM 0 HD23 LEU A 7 12.917 -14.634 -6.690 1.00 51.33 H new ATOM 126 N GLY A 8 16.968 -10.755 -6.339 1.00 22.14 N ATOM 127 CA GLY A 8 18.117 -10.290 -7.094 1.00 55.41 C ATOM 128 C GLY A 8 19.418 -10.463 -6.337 1.00 11.25 C ATOM 129 O GLY A 8 20.369 -9.709 -6.542 1.00 4.10 O ATOM 0 H GLY A 8 16.868 -10.341 -5.412 1.00 22.14 H new ATOM 0 HA2 GLY A 8 18.173 -10.835 -8.036 1.00 55.41 H new ATOM 0 HA3 GLY A 8 17.982 -9.237 -7.343 1.00 55.41 H new ATOM 133 N PHE A 9 19.461 -11.457 -5.456 1.00 75.53 N ATOM 134 CA PHE A 9 20.654 -11.726 -4.663 1.00 3.31 C ATOM 135 C PHE A 9 20.870 -13.227 -4.495 1.00 15.14 C ATOM 136 O PHE A 9 20.088 -14.037 -4.993 1.00 54.42 O ATOM 137 CB PHE A 9 20.541 -11.058 -3.291 1.00 21.32 C ATOM 138 CG PHE A 9 19.617 -11.776 -2.349 1.00 74.15 C ATOM 139 CD1 PHE A 9 18.243 -11.689 -2.506 1.00 14.30 C ATOM 140 CD2 PHE A 9 20.121 -12.539 -1.309 1.00 4.54 C ATOM 141 CE1 PHE A 9 17.390 -12.348 -1.641 1.00 12.43 C ATOM 142 CE2 PHE A 9 19.273 -13.200 -0.440 1.00 64.13 C ATOM 143 CZ PHE A 9 17.906 -13.105 -0.607 1.00 72.24 C ATOM 0 H PHE A 9 18.682 -12.090 -5.273 1.00 75.53 H new ATOM 0 HA PHE A 9 21.512 -11.311 -5.192 1.00 3.31 H new ATOM 0 HB2 PHE A 9 21.532 -11.000 -2.841 1.00 21.32 H new ATOM 0 HB3 PHE A 9 20.190 -10.034 -3.422 1.00 21.32 H new ATOM 0 HD1 PHE A 9 17.834 -11.100 -3.313 1.00 14.30 H new ATOM 0 HD2 PHE A 9 21.190 -12.619 -1.175 1.00 4.54 H new ATOM 0 HE1 PHE A 9 16.321 -12.271 -1.773 1.00 12.43 H new ATOM 0 HE2 PHE A 9 19.679 -13.790 0.368 1.00 64.13 H new ATOM 0 HZ PHE A 9 17.241 -13.622 0.069 1.00 72.24 H new ATOM 153 N ARG A 10 21.936 -13.590 -3.789 1.00 74.31 N ATOM 154 CA ARG A 10 22.256 -14.993 -3.556 1.00 74.41 C ATOM 155 C ARG A 10 22.125 -15.342 -2.076 1.00 61.44 C ATOM 156 O ARG A 10 22.462 -14.539 -1.206 1.00 72.33 O ATOM 157 CB ARG A 10 23.673 -15.303 -4.041 1.00 2.41 C ATOM 158 CG ARG A 10 23.735 -15.765 -5.487 1.00 71.53 C ATOM 159 CD ARG A 10 24.910 -16.701 -5.723 1.00 60.41 C ATOM 160 NE ARG A 10 25.420 -16.607 -7.088 1.00 53.14 N ATOM 161 CZ ARG A 10 26.376 -17.392 -7.572 1.00 31.11 C ATOM 162 NH1 ARG A 10 26.923 -18.325 -6.805 1.00 70.21 N ATOM 163 NH2 ARG A 10 26.786 -17.245 -8.825 1.00 45.11 N ATOM 0 H ARG A 10 22.592 -12.932 -3.369 1.00 74.31 H new ATOM 0 HA ARG A 10 21.547 -15.600 -4.119 1.00 74.41 H new ATOM 0 HB2 ARG A 10 24.290 -14.412 -3.927 1.00 2.41 H new ATOM 0 HB3 ARG A 10 24.105 -16.074 -3.403 1.00 2.41 H new ATOM 0 HG2 ARG A 10 22.806 -16.272 -5.748 1.00 71.53 H new ATOM 0 HG3 ARG A 10 23.821 -14.899 -6.143 1.00 71.53 H new ATOM 0 HD2 ARG A 10 25.709 -16.464 -5.021 1.00 60.41 H new ATOM 0 HD3 ARG A 10 24.602 -17.727 -5.521 1.00 60.41 H new ATOM 0 HE ARG A 10 25.020 -15.899 -7.704 1.00 53.14 H new ATOM 0 HH11 ARG A 10 26.610 -18.441 -5.841 1.00 70.21 H new ATOM 0 HH12 ARG A 10 27.657 -18.927 -7.179 1.00 70.21 H new ATOM 0 HH21 ARG A 10 26.367 -16.529 -9.418 1.00 45.11 H new ATOM 0 HH22 ARG A 10 27.520 -17.848 -9.195 1.00 45.11 H new ATOM 177 N VAL A 11 21.633 -16.546 -1.799 1.00 4.24 N ATOM 178 CA VAL A 11 21.459 -17.002 -0.425 1.00 14.32 C ATOM 179 C VAL A 11 21.846 -18.469 -0.279 1.00 41.12 C ATOM 180 O VAL A 11 21.498 -19.299 -1.118 1.00 21.51 O ATOM 181 CB VAL A 11 20.004 -16.817 0.047 1.00 2.22 C ATOM 182 CG1 VAL A 11 19.041 -17.506 -0.907 1.00 42.14 C ATOM 183 CG2 VAL A 11 19.833 -17.345 1.464 1.00 50.24 C ATOM 0 H VAL A 11 21.348 -17.222 -2.507 1.00 4.24 H new ATOM 0 HA VAL A 11 22.116 -16.393 0.196 1.00 14.32 H new ATOM 0 HB VAL A 11 19.774 -15.752 0.050 1.00 2.22 H new ATOM 0 HG11 VAL A 11 18.018 -17.364 -0.557 1.00 42.14 H new ATOM 0 HG12 VAL A 11 19.146 -17.077 -1.903 1.00 42.14 H new ATOM 0 HG13 VAL A 11 19.267 -18.572 -0.945 1.00 42.14 H new ATOM 0 HG21 VAL A 11 18.800 -17.206 1.782 1.00 50.24 H new ATOM 0 HG22 VAL A 11 20.081 -18.406 1.489 1.00 50.24 H new ATOM 0 HG23 VAL A 11 20.496 -16.801 2.137 1.00 50.24 H new ATOM 193 N ALA A 12 22.568 -18.781 0.792 1.00 64.11 N ATOM 194 CA ALA A 12 23.001 -20.149 1.049 1.00 3.12 C ATOM 195 C ALA A 12 22.495 -20.640 2.401 1.00 10.33 C ATOM 196 O ALA A 12 22.789 -20.045 3.439 1.00 73.44 O ATOM 197 CB ALA A 12 24.519 -20.243 0.986 1.00 75.13 C ATOM 0 H ALA A 12 22.865 -18.105 1.496 1.00 64.11 H new ATOM 0 HA ALA A 12 22.576 -20.790 0.276 1.00 3.12 H new ATOM 0 HB1 ALA A 12 24.828 -21.270 1.180 1.00 75.13 H new ATOM 0 HB2 ALA A 12 24.861 -19.942 -0.004 1.00 75.13 H new ATOM 0 HB3 ALA A 12 24.956 -19.585 1.737 1.00 75.13 H new ATOM 203 N VAL A 13 21.732 -21.728 2.383 1.00 53.12 N ATOM 204 CA VAL A 13 21.185 -22.299 3.608 1.00 53.03 C ATOM 205 C VAL A 13 22.141 -23.321 4.212 1.00 33.13 C ATOM 206 O VAL A 13 22.618 -24.223 3.525 1.00 51.10 O ATOM 207 CB VAL A 13 19.823 -22.973 3.353 1.00 24.24 C ATOM 208 CG1 VAL A 13 19.942 -24.020 2.256 1.00 43.41 C ATOM 209 CG2 VAL A 13 19.288 -23.592 4.636 1.00 61.22 C ATOM 0 H VAL A 13 21.478 -22.232 1.533 1.00 53.12 H new ATOM 0 HA VAL A 13 21.049 -21.475 4.309 1.00 53.03 H new ATOM 0 HB VAL A 13 19.117 -22.212 3.020 1.00 24.24 H new ATOM 0 HG11 VAL A 13 18.970 -24.485 2.090 1.00 43.41 H new ATOM 0 HG12 VAL A 13 20.279 -23.545 1.335 1.00 43.41 H new ATOM 0 HG13 VAL A 13 20.662 -24.781 2.556 1.00 43.41 H new ATOM 0 HG21 VAL A 13 18.325 -24.064 4.439 1.00 61.22 H new ATOM 0 HG22 VAL A 13 19.992 -24.341 5.000 1.00 61.22 H new ATOM 0 HG23 VAL A 13 19.163 -22.815 5.390 1.00 61.22 H new ATOM 219 N GLY A 14 22.416 -23.174 5.505 1.00 42.32 N ATOM 220 CA GLY A 14 23.314 -24.091 6.181 1.00 21.42 C ATOM 221 C GLY A 14 23.469 -23.770 7.654 1.00 24.35 C ATOM 222 O GLY A 14 22.524 -23.321 8.302 1.00 54.33 O ATOM 0 H GLY A 14 22.033 -22.436 6.096 1.00 42.32 H new ATOM 0 HA2 GLY A 14 22.939 -25.109 6.072 1.00 21.42 H new ATOM 0 HA3 GLY A 14 24.292 -24.058 5.700 1.00 21.42 H new ATOM 226 N ARG A 15 24.665 -24.003 8.186 1.00 10.13 N ATOM 227 CA ARG A 15 24.940 -23.738 9.593 1.00 32.14 C ATOM 228 C ARG A 15 26.248 -22.970 9.757 1.00 50.34 C ATOM 229 O ARG A 15 27.285 -23.371 9.229 1.00 24.41 O ATOM 230 CB ARG A 15 25.005 -25.050 10.378 1.00 42.22 C ATOM 231 CG ARG A 15 24.068 -25.092 11.574 1.00 41.41 C ATOM 232 CD ARG A 15 22.748 -25.760 11.224 1.00 30.42 C ATOM 233 NE ARG A 15 22.179 -26.477 12.363 1.00 50.15 N ATOM 234 CZ ARG A 15 22.635 -27.646 12.797 1.00 21.33 C ATOM 235 NH1 ARG A 15 23.662 -28.228 12.192 1.00 14.43 N ATOM 236 NH2 ARG A 15 22.064 -28.236 13.840 1.00 63.21 N ATOM 0 H ARG A 15 25.458 -24.375 7.664 1.00 10.13 H new ATOM 0 HA ARG A 15 24.128 -23.126 9.986 1.00 32.14 H new ATOM 0 HB2 ARG A 15 24.764 -25.876 9.709 1.00 42.22 H new ATOM 0 HB3 ARG A 15 26.027 -25.207 10.722 1.00 42.22 H new ATOM 0 HG2 ARG A 15 24.545 -25.632 12.392 1.00 41.41 H new ATOM 0 HG3 ARG A 15 23.881 -24.078 11.927 1.00 41.41 H new ATOM 0 HD2 ARG A 15 22.040 -25.006 10.880 1.00 30.42 H new ATOM 0 HD3 ARG A 15 22.901 -26.454 10.398 1.00 30.42 H new ATOM 0 HE ARG A 15 21.388 -26.056 12.851 1.00 50.15 H new ATOM 0 HH11 ARG A 15 24.104 -27.777 11.391 1.00 14.43 H new ATOM 0 HH12 ARG A 15 24.010 -29.126 12.528 1.00 14.43 H new ATOM 0 HH21 ARG A 15 21.275 -27.791 14.308 1.00 63.21 H new ATOM 0 HH22 ARG A 15 22.415 -29.134 14.173 1.00 63.21 H new ATOM 250 N ASP A 16 26.191 -21.863 10.489 1.00 35.34 N ATOM 251 CA ASP A 16 27.370 -21.039 10.723 1.00 44.43 C ATOM 252 C ASP A 16 28.041 -21.410 12.042 1.00 61.35 C ATOM 253 O ASP A 16 27.613 -22.339 12.727 1.00 64.23 O ATOM 254 CB ASP A 16 26.990 -19.557 10.729 1.00 22.14 C ATOM 255 CG ASP A 16 27.852 -18.734 9.792 1.00 31.11 C ATOM 256 OD1 ASP A 16 29.088 -18.906 9.819 1.00 3.32 O ATOM 257 OD2 ASP A 16 27.290 -17.918 9.032 1.00 11.40 O ATOM 0 H ASP A 16 25.340 -21.516 10.931 1.00 35.34 H new ATOM 0 HA ASP A 16 28.076 -21.222 9.913 1.00 44.43 H new ATOM 0 HB2 ASP A 16 25.944 -19.452 10.442 1.00 22.14 H new ATOM 0 HB3 ASP A 16 27.083 -19.165 11.742 1.00 22.14 H new ATOM 262 N SER A 17 29.095 -20.679 12.390 1.00 21.32 N ATOM 263 CA SER A 17 29.828 -20.935 13.624 1.00 22.25 C ATOM 264 C SER A 17 28.892 -20.902 14.829 1.00 5.00 C ATOM 265 O SER A 17 29.156 -21.535 15.851 1.00 10.03 O ATOM 266 CB SER A 17 30.944 -19.904 13.803 1.00 63.12 C ATOM 267 OG SER A 17 32.194 -20.537 14.015 1.00 22.12 O ATOM 0 H SER A 17 29.460 -19.905 11.835 1.00 21.32 H new ATOM 0 HA SER A 17 30.269 -21.929 13.555 1.00 22.25 H new ATOM 0 HB2 SER A 17 31.000 -19.267 12.920 1.00 63.12 H new ATOM 0 HB3 SER A 17 30.713 -19.256 14.649 1.00 63.12 H new ATOM 0 HG SER A 17 32.891 -19.857 14.125 1.00 22.12 H new ATOM 273 N SER A 18 27.798 -20.159 14.700 1.00 2.40 N ATOM 274 CA SER A 18 26.824 -20.039 15.778 1.00 1.55 C ATOM 275 C SER A 18 26.022 -21.328 15.932 1.00 5.54 C ATOM 276 O SER A 18 25.775 -21.788 17.046 1.00 74.43 O ATOM 277 CB SER A 18 25.879 -18.865 15.512 1.00 32.51 C ATOM 278 OG SER A 18 24.609 -19.322 15.079 1.00 0.12 O ATOM 0 H SER A 18 27.564 -19.631 13.859 1.00 2.40 H new ATOM 0 HA SER A 18 27.366 -19.856 16.706 1.00 1.55 H new ATOM 0 HB2 SER A 18 25.766 -18.272 16.420 1.00 32.51 H new ATOM 0 HB3 SER A 18 26.311 -18.210 14.755 1.00 32.51 H new ATOM 0 HG SER A 18 24.023 -18.554 14.917 1.00 0.12 H new ATOM 284 N GLY A 19 25.619 -21.905 14.804 1.00 5.24 N ATOM 285 CA GLY A 19 24.850 -23.135 14.834 1.00 10.14 C ATOM 286 C GLY A 19 23.408 -22.907 15.244 1.00 64.11 C ATOM 287 O GLY A 19 22.939 -23.477 16.229 1.00 35.14 O ATOM 0 H GLY A 19 25.811 -21.542 13.870 1.00 5.24 H new ATOM 0 HA2 GLY A 19 24.875 -23.600 13.848 1.00 10.14 H new ATOM 0 HA3 GLY A 19 25.316 -23.834 15.528 1.00 10.14 H new ATOM 291 N CYS A 20 22.706 -22.071 14.488 1.00 75.11 N ATOM 292 CA CYS A 20 21.309 -21.767 14.779 1.00 30.10 C ATOM 293 C CYS A 20 20.479 -21.744 13.499 1.00 23.14 C ATOM 294 O CYS A 20 19.424 -21.112 13.441 1.00 0.14 O ATOM 295 CB CYS A 20 21.197 -20.422 15.498 1.00 44.22 C ATOM 296 SG CYS A 20 20.584 -20.540 17.195 1.00 63.13 S ATOM 0 H CYS A 20 23.080 -21.592 13.669 1.00 75.11 H new ATOM 0 HA CYS A 20 20.920 -22.551 15.428 1.00 30.10 H new ATOM 0 HB2 CYS A 20 22.177 -19.946 15.510 1.00 44.22 H new ATOM 0 HB3 CYS A 20 20.534 -19.772 14.928 1.00 44.22 H new ATOM 0 HG CYS A 20 19.604 -19.702 17.362 1.00 63.13 H new ATOM 302 N THR A 21 20.964 -22.437 12.473 1.00 0.24 N ATOM 303 CA THR A 21 20.269 -22.494 11.193 1.00 4.14 C ATOM 304 C THR A 21 19.922 -21.096 10.694 1.00 73.32 C ATOM 305 O THR A 21 18.851 -20.567 10.993 1.00 0.54 O ATOM 306 CB THR A 21 18.978 -23.328 11.292 1.00 50.32 C ATOM 307 OG1 THR A 21 18.773 -23.756 12.643 1.00 51.23 O ATOM 308 CG2 THR A 21 19.045 -24.540 10.375 1.00 3.30 C ATOM 0 H THR A 21 21.835 -22.966 12.504 1.00 0.24 H new ATOM 0 HA THR A 21 20.947 -22.971 10.485 1.00 4.14 H new ATOM 0 HB THR A 21 18.142 -22.702 10.980 1.00 50.32 H new ATOM 0 HG1 THR A 21 17.949 -24.284 12.697 1.00 51.23 H new ATOM 0 HG21 THR A 21 18.122 -25.114 10.462 1.00 3.30 H new ATOM 0 HG22 THR A 21 19.171 -24.210 9.344 1.00 3.30 H new ATOM 0 HG23 THR A 21 19.890 -25.166 10.661 1.00 3.30 H new ATOM 316 N THR A 22 20.833 -20.502 9.929 1.00 32.42 N ATOM 317 CA THR A 22 20.622 -19.166 9.388 1.00 4.40 C ATOM 318 C THR A 22 21.173 -19.053 7.971 1.00 71.20 C ATOM 319 O THR A 22 22.132 -19.737 7.610 1.00 11.14 O ATOM 320 CB THR A 22 21.285 -18.091 10.271 1.00 64.42 C ATOM 321 OG1 THR A 22 21.331 -16.843 9.572 1.00 44.43 O ATOM 322 CG2 THR A 22 22.694 -18.509 10.666 1.00 72.41 C ATOM 0 H THR A 22 21.724 -20.926 9.670 1.00 32.42 H new ATOM 0 HA THR A 22 19.545 -18.999 9.371 1.00 4.40 H new ATOM 0 HB THR A 22 20.689 -17.978 11.177 1.00 64.42 H new ATOM 0 HG1 THR A 22 21.752 -16.165 10.141 1.00 44.43 H new ATOM 0 HG21 THR A 22 23.142 -17.735 11.289 1.00 72.41 H new ATOM 0 HG22 THR A 22 22.653 -19.445 11.224 1.00 72.41 H new ATOM 0 HG23 THR A 22 23.297 -18.647 9.769 1.00 72.41 H new ATOM 330 N LEU A 23 20.561 -18.187 7.171 1.00 45.31 N ATOM 331 CA LEU A 23 20.991 -17.984 5.792 1.00 43.13 C ATOM 332 C LEU A 23 21.924 -16.781 5.683 1.00 35.51 C ATOM 333 O LEU A 23 21.651 -15.720 6.243 1.00 1.31 O ATOM 334 CB LEU A 23 19.777 -17.786 4.882 1.00 24.32 C ATOM 335 CG LEU A 23 19.125 -19.061 4.347 1.00 63.53 C ATOM 336 CD1 LEU A 23 18.814 -20.020 5.485 1.00 35.32 C ATOM 337 CD2 LEU A 23 17.862 -18.727 3.567 1.00 33.42 C ATOM 0 H LEU A 23 19.766 -17.614 7.453 1.00 45.31 H new ATOM 0 HA LEU A 23 21.536 -18.873 5.473 1.00 43.13 H new ATOM 0 HB2 LEU A 23 19.025 -17.220 5.431 1.00 24.32 H new ATOM 0 HB3 LEU A 23 20.080 -17.173 4.033 1.00 24.32 H new ATOM 0 HG LEU A 23 19.827 -19.549 3.671 1.00 63.53 H new ATOM 0 HD11 LEU A 23 18.350 -20.922 5.085 1.00 35.32 H new ATOM 0 HD12 LEU A 23 19.737 -20.285 6.000 1.00 35.32 H new ATOM 0 HD13 LEU A 23 18.131 -19.542 6.187 1.00 35.32 H new ATOM 0 HD21 LEU A 23 17.411 -19.646 3.194 1.00 33.42 H new ATOM 0 HD22 LEU A 23 17.155 -18.216 4.221 1.00 33.42 H new ATOM 0 HD23 LEU A 23 18.114 -18.079 2.727 1.00 33.42 H new ATOM 349 N SER A 24 23.023 -16.955 4.957 1.00 22.41 N ATOM 350 CA SER A 24 23.997 -15.885 4.776 1.00 71.01 C ATOM 351 C SER A 24 23.826 -15.220 3.414 1.00 52.14 C ATOM 352 O SER A 24 23.721 -15.896 2.390 1.00 52.23 O ATOM 353 CB SER A 24 25.419 -16.432 4.914 1.00 0.22 C ATOM 354 OG SER A 24 25.408 -17.765 5.393 1.00 24.34 O ATOM 0 H SER A 24 23.262 -17.827 4.484 1.00 22.41 H new ATOM 0 HA SER A 24 23.826 -15.137 5.550 1.00 71.01 H new ATOM 0 HB2 SER A 24 25.922 -16.394 3.948 1.00 0.22 H new ATOM 0 HB3 SER A 24 25.990 -15.802 5.596 1.00 0.22 H new ATOM 0 HG SER A 24 26.328 -18.092 5.471 1.00 24.34 H new ATOM 360 N ILE A 25 23.799 -13.891 3.410 1.00 34.52 N ATOM 361 CA ILE A 25 23.641 -13.134 2.175 1.00 65.34 C ATOM 362 C ILE A 25 24.996 -12.806 1.555 1.00 74.10 C ATOM 363 O ILE A 25 25.758 -12.006 2.096 1.00 65.11 O ATOM 364 CB ILE A 25 22.867 -11.824 2.412 1.00 70.43 C ATOM 365 CG1 ILE A 25 21.684 -12.069 3.351 1.00 2.41 C ATOM 366 CG2 ILE A 25 22.389 -11.245 1.089 1.00 52.03 C ATOM 367 CD1 ILE A 25 20.702 -13.096 2.832 1.00 3.51 C ATOM 0 H ILE A 25 23.885 -13.317 4.249 1.00 34.52 H new ATOM 0 HA ILE A 25 23.072 -13.763 1.490 1.00 65.34 H new ATOM 0 HB ILE A 25 23.536 -11.103 2.881 1.00 70.43 H new ATOM 0 HG12 ILE A 25 22.061 -12.396 4.320 1.00 2.41 H new ATOM 0 HG13 ILE A 25 21.160 -11.127 3.515 1.00 2.41 H new ATOM 0 HG21 ILE A 25 21.844 -10.319 1.273 1.00 52.03 H new ATOM 0 HG22 ILE A 25 23.248 -11.039 0.450 1.00 52.03 H new ATOM 0 HG23 ILE A 25 21.732 -11.961 0.595 1.00 52.03 H new ATOM 0 HD11 ILE A 25 19.890 -13.218 3.549 1.00 3.51 H new ATOM 0 HD12 ILE A 25 20.296 -12.761 1.878 1.00 3.51 H new ATOM 0 HD13 ILE A 25 21.211 -14.050 2.695 1.00 3.51 H new ATOM 379 N GLN A 26 25.286 -13.428 0.417 1.00 72.12 N ATOM 380 CA GLN A 26 26.548 -13.201 -0.277 1.00 51.21 C ATOM 381 C GLN A 26 26.488 -11.926 -1.112 1.00 3.34 C ATOM 382 O GLN A 26 27.518 -11.403 -1.537 1.00 31.01 O ATOM 383 CB GLN A 26 26.884 -14.395 -1.172 1.00 5.11 C ATOM 384 CG GLN A 26 26.860 -15.728 -0.442 1.00 63.10 C ATOM 385 CD GLN A 26 25.991 -16.758 -1.137 1.00 25.14 C ATOM 386 OE1 GLN A 26 26.331 -17.250 -2.213 1.00 45.52 O ATOM 387 NE2 GLN A 26 24.862 -17.091 -0.523 1.00 20.02 N ATOM 0 H GLN A 26 24.665 -14.093 -0.044 1.00 72.12 H new ATOM 0 HA GLN A 26 27.331 -13.086 0.473 1.00 51.21 H new ATOM 0 HB2 GLN A 26 26.174 -14.430 -1.999 1.00 5.11 H new ATOM 0 HB3 GLN A 26 27.872 -14.246 -1.607 1.00 5.11 H new ATOM 0 HG2 GLN A 26 27.877 -16.112 -0.360 1.00 63.10 H new ATOM 0 HG3 GLN A 26 26.494 -15.575 0.573 1.00 63.10 H new ATOM 0 HE21 GLN A 26 24.619 -16.658 0.368 1.00 20.02 H new ATOM 0 HE22 GLN A 26 24.237 -17.780 -0.942 1.00 20.02 H new ATOM 396 N GLU A 27 25.276 -11.431 -1.342 1.00 20.10 N ATOM 397 CA GLU A 27 25.083 -10.218 -2.127 1.00 44.51 C ATOM 398 C GLU A 27 24.345 -9.156 -1.316 1.00 63.32 C ATOM 399 O GLU A 27 24.156 -9.302 -0.109 1.00 34.25 O ATOM 400 CB GLU A 27 24.305 -10.530 -3.407 1.00 43.31 C ATOM 401 CG GLU A 27 24.976 -10.012 -4.669 1.00 32.25 C ATOM 402 CD GLU A 27 25.920 -11.026 -5.285 1.00 40.12 C ATOM 403 OE1 GLU A 27 27.050 -11.173 -4.774 1.00 50.55 O ATOM 404 OE2 GLU A 27 25.528 -11.673 -6.279 1.00 0.10 O ATOM 0 H GLU A 27 24.413 -11.851 -0.996 1.00 20.10 H new ATOM 0 HA GLU A 27 26.066 -9.829 -2.394 1.00 44.51 H new ATOM 0 HB2 GLU A 27 24.177 -11.609 -3.490 1.00 43.31 H new ATOM 0 HB3 GLU A 27 23.308 -10.096 -3.331 1.00 43.31 H new ATOM 0 HG2 GLU A 27 24.212 -9.743 -5.398 1.00 32.25 H new ATOM 0 HG3 GLU A 27 25.528 -9.102 -4.435 1.00 32.25 H new ATOM 411 N VAL A 28 23.931 -8.087 -1.989 1.00 64.32 N ATOM 412 CA VAL A 28 23.214 -7.001 -1.333 1.00 33.23 C ATOM 413 C VAL A 28 21.884 -6.724 -2.025 1.00 1.41 C ATOM 414 O VAL A 28 21.821 -5.965 -2.993 1.00 1.11 O ATOM 415 CB VAL A 28 24.049 -5.708 -1.313 1.00 5.52 C ATOM 416 CG1 VAL A 28 25.126 -5.783 -0.241 1.00 31.42 C ATOM 417 CG2 VAL A 28 24.664 -5.450 -2.680 1.00 43.12 C ATOM 0 H VAL A 28 24.080 -7.950 -2.989 1.00 64.32 H new ATOM 0 HA VAL A 28 23.027 -7.319 -0.307 1.00 33.23 H new ATOM 0 HB VAL A 28 23.389 -4.874 -1.073 1.00 5.52 H new ATOM 0 HG11 VAL A 28 25.706 -4.860 -0.242 1.00 31.42 H new ATOM 0 HG12 VAL A 28 24.659 -5.917 0.735 1.00 31.42 H new ATOM 0 HG13 VAL A 28 25.786 -6.626 -0.446 1.00 31.42 H new ATOM 0 HG21 VAL A 28 25.251 -4.532 -2.648 1.00 43.12 H new ATOM 0 HG22 VAL A 28 25.310 -6.285 -2.952 1.00 43.12 H new ATOM 0 HG23 VAL A 28 23.872 -5.348 -3.422 1.00 43.12 H new ATOM 427 N THR A 29 20.821 -7.343 -1.522 1.00 74.21 N ATOM 428 CA THR A 29 19.491 -7.164 -2.092 1.00 3.00 C ATOM 429 C THR A 29 18.883 -5.834 -1.662 1.00 3.05 C ATOM 430 O THR A 29 17.790 -5.472 -2.095 1.00 71.42 O ATOM 431 CB THR A 29 18.544 -8.306 -1.678 1.00 61.25 C ATOM 432 OG1 THR A 29 17.240 -8.083 -2.225 1.00 54.11 O ATOM 433 CG2 THR A 29 18.453 -8.412 -0.164 1.00 24.33 C ATOM 0 H THR A 29 20.855 -7.973 -0.721 1.00 74.21 H new ATOM 0 HA THR A 29 19.608 -7.174 -3.176 1.00 3.00 H new ATOM 0 HB THR A 29 18.946 -9.241 -2.068 1.00 61.25 H new ATOM 0 HG1 THR A 29 17.080 -7.120 -2.308 1.00 54.11 H new ATOM 0 HG21 THR A 29 17.779 -9.225 0.104 1.00 24.33 H new ATOM 0 HG22 THR A 29 19.443 -8.611 0.247 1.00 24.33 H new ATOM 0 HG23 THR A 29 18.072 -7.476 0.244 1.00 24.33 H new ATOM 441 N GLN A 30 19.599 -5.110 -0.807 1.00 63.31 N ATOM 442 CA GLN A 30 19.129 -3.820 -0.319 1.00 12.54 C ATOM 443 C GLN A 30 19.224 -2.757 -1.409 1.00 31.32 C ATOM 444 O GLN A 30 18.739 -1.637 -1.244 1.00 71.31 O ATOM 445 CB GLN A 30 19.940 -3.387 0.904 1.00 51.41 C ATOM 446 CG GLN A 30 19.944 -4.413 2.026 1.00 43.44 C ATOM 447 CD GLN A 30 21.044 -5.445 1.868 1.00 14.42 C ATOM 448 OE1 GLN A 30 22.202 -5.103 1.627 1.00 53.14 O ATOM 449 NE2 GLN A 30 20.686 -6.716 2.005 1.00 63.21 N ATOM 0 H GLN A 30 20.506 -5.395 -0.439 1.00 63.31 H new ATOM 0 HA GLN A 30 18.083 -3.928 -0.033 1.00 12.54 H new ATOM 0 HB2 GLN A 30 20.968 -3.192 0.598 1.00 51.41 H new ATOM 0 HB3 GLN A 30 19.537 -2.448 1.283 1.00 51.41 H new ATOM 0 HG2 GLN A 30 20.065 -3.901 2.981 1.00 43.44 H new ATOM 0 HG3 GLN A 30 18.978 -4.918 2.055 1.00 43.44 H new ATOM 0 HE21 GLN A 30 19.714 -6.953 2.205 1.00 63.21 H new ATOM 0 HE22 GLN A 30 21.383 -7.455 1.911 1.00 63.21 H new ATOM 458 N THR A 31 19.853 -3.115 -2.524 1.00 73.41 N ATOM 459 CA THR A 31 20.013 -2.193 -3.641 1.00 61.10 C ATOM 460 C THR A 31 18.883 -2.352 -4.652 1.00 0.23 C ATOM 461 O THR A 31 19.043 -2.037 -5.831 1.00 64.43 O ATOM 462 CB THR A 31 21.360 -2.406 -4.357 1.00 23.23 C ATOM 463 OG1 THR A 31 21.666 -3.804 -4.419 1.00 3.32 O ATOM 464 CG2 THR A 31 22.479 -1.669 -3.636 1.00 14.41 C ATOM 0 H THR A 31 20.260 -4.038 -2.677 1.00 73.41 H new ATOM 0 HA THR A 31 19.986 -1.186 -3.225 1.00 61.10 H new ATOM 0 HB THR A 31 21.276 -2.007 -5.368 1.00 23.23 H new ATOM 0 HG1 THR A 31 21.940 -4.119 -3.532 1.00 3.32 H new ATOM 0 HG21 THR A 31 23.420 -1.834 -4.160 1.00 14.41 H new ATOM 0 HG22 THR A 31 22.258 -0.602 -3.615 1.00 14.41 H new ATOM 0 HG23 THR A 31 22.562 -2.042 -2.615 1.00 14.41 H new ATOM 472 N TYR A 32 17.740 -2.841 -4.183 1.00 5.45 N ATOM 473 CA TYR A 32 16.583 -3.043 -5.047 1.00 5.54 C ATOM 474 C TYR A 32 15.373 -2.273 -4.525 1.00 65.15 C ATOM 475 O TYR A 32 15.188 -2.127 -3.317 1.00 31.42 O ATOM 476 CB TYR A 32 16.250 -4.532 -5.148 1.00 11.13 C ATOM 477 CG TYR A 32 16.987 -5.243 -6.260 1.00 32.30 C ATOM 478 CD1 TYR A 32 16.446 -5.323 -7.538 1.00 4.13 C ATOM 479 CD2 TYR A 32 18.222 -5.837 -6.033 1.00 44.53 C ATOM 480 CE1 TYR A 32 17.115 -5.972 -8.557 1.00 65.40 C ATOM 481 CE2 TYR A 32 18.899 -6.487 -7.047 1.00 3.31 C ATOM 482 CZ TYR A 32 18.342 -6.552 -8.307 1.00 33.22 C ATOM 483 OH TYR A 32 19.012 -7.200 -9.319 1.00 22.22 O ATOM 0 H TYR A 32 17.590 -3.105 -3.209 1.00 5.45 H new ATOM 0 HA TYR A 32 16.831 -2.665 -6.039 1.00 5.54 H new ATOM 0 HB2 TYR A 32 16.488 -5.014 -4.200 1.00 11.13 H new ATOM 0 HB3 TYR A 32 15.177 -4.646 -5.303 1.00 11.13 H new ATOM 0 HD1 TYR A 32 15.486 -4.870 -7.737 1.00 4.13 H new ATOM 0 HD2 TYR A 32 18.660 -5.790 -5.047 1.00 44.53 H new ATOM 0 HE1 TYR A 32 16.680 -6.025 -9.544 1.00 65.40 H new ATOM 0 HE2 TYR A 32 19.859 -6.942 -6.854 1.00 3.31 H new ATOM 0 HH TYR A 32 19.861 -7.551 -8.977 1.00 22.22 H new ATOM 493 N THR A 33 14.551 -1.782 -5.447 1.00 72.12 N ATOM 494 CA THR A 33 13.358 -1.027 -5.083 1.00 65.12 C ATOM 495 C THR A 33 12.482 -0.763 -6.302 1.00 11.51 C ATOM 496 O THR A 33 12.726 -1.297 -7.383 1.00 23.45 O ATOM 497 CB THR A 33 13.724 0.317 -4.426 1.00 53.31 C ATOM 498 OG1 THR A 33 15.146 0.440 -4.319 1.00 23.45 O ATOM 499 CG2 THR A 33 13.094 0.434 -3.046 1.00 72.03 C ATOM 0 H THR A 33 14.689 -1.894 -6.451 1.00 72.12 H new ATOM 0 HA THR A 33 12.805 -1.634 -4.367 1.00 65.12 H new ATOM 0 HB THR A 33 13.337 1.120 -5.054 1.00 53.31 H new ATOM 0 HG1 THR A 33 15.370 1.298 -3.902 1.00 23.45 H new ATOM 0 HG21 THR A 33 13.367 1.391 -2.602 1.00 72.03 H new ATOM 0 HG22 THR A 33 12.009 0.371 -3.135 1.00 72.03 H new ATOM 0 HG23 THR A 33 13.454 -0.376 -2.412 1.00 72.03 H new ATOM 507 N GLY A 34 11.459 0.068 -6.121 1.00 30.53 N ATOM 508 CA GLY A 34 10.562 0.389 -7.215 1.00 73.11 C ATOM 509 C GLY A 34 9.120 0.039 -6.904 1.00 51.05 C ATOM 510 O GLY A 34 8.294 -0.079 -7.809 1.00 70.45 O ATOM 0 H GLY A 34 11.236 0.524 -5.236 1.00 30.53 H new ATOM 0 HA2 GLY A 34 10.634 1.453 -7.440 1.00 73.11 H new ATOM 0 HA3 GLY A 34 10.878 -0.148 -8.109 1.00 73.11 H new ATOM 514 N SER A 35 8.816 -0.129 -5.621 1.00 44.43 N ATOM 515 CA SER A 35 7.465 -0.473 -5.194 1.00 4.21 C ATOM 516 C SER A 35 6.551 0.748 -5.247 1.00 63.53 C ATOM 517 O SER A 35 5.420 0.668 -5.723 1.00 54.41 O ATOM 518 CB SER A 35 7.487 -1.046 -3.776 1.00 31.42 C ATOM 519 OG SER A 35 6.458 -2.004 -3.597 1.00 71.24 O ATOM 0 H SER A 35 9.487 -0.032 -4.859 1.00 44.43 H new ATOM 0 HA SER A 35 7.075 -1.227 -5.878 1.00 4.21 H new ATOM 0 HB2 SER A 35 8.455 -1.507 -3.582 1.00 31.42 H new ATOM 0 HB3 SER A 35 7.367 -0.240 -3.053 1.00 31.42 H new ATOM 0 HG SER A 35 6.401 -2.250 -2.650 1.00 71.24 H new ATOM 525 N ASN A 36 7.052 1.876 -4.755 1.00 31.12 N ATOM 526 CA ASN A 36 6.281 3.114 -4.745 1.00 61.02 C ATOM 527 C ASN A 36 7.132 4.281 -4.254 1.00 44.04 C ATOM 528 O ASN A 36 6.627 5.211 -3.628 1.00 10.32 O ATOM 529 CB ASN A 36 5.044 2.962 -3.858 1.00 31.01 C ATOM 530 CG ASN A 36 3.881 3.808 -4.338 1.00 13.31 C ATOM 531 OD1 ASN A 36 3.800 4.163 -5.514 1.00 63.21 O ATOM 532 ND2 ASN A 36 2.972 4.136 -3.427 1.00 2.44 N ATOM 0 H ASN A 36 7.988 1.959 -4.358 1.00 31.12 H new ATOM 0 HA ASN A 36 5.964 3.323 -5.767 1.00 61.02 H new ATOM 0 HB2 ASN A 36 4.743 1.915 -3.835 1.00 31.01 H new ATOM 0 HB3 ASN A 36 5.297 3.243 -2.836 1.00 31.01 H new ATOM 0 HD21 ASN A 36 2.167 4.704 -3.691 1.00 2.44 H new ATOM 0 HD22 ASN A 36 3.079 3.820 -2.463 1.00 2.44 H new ATOM 539 N GLY A 37 8.429 4.224 -4.545 1.00 13.42 N ATOM 540 CA GLY A 37 9.330 5.282 -4.126 1.00 54.32 C ATOM 541 C GLY A 37 10.697 5.168 -4.770 1.00 22.31 C ATOM 542 O GLY A 37 11.098 6.030 -5.550 1.00 2.30 O ATOM 0 H GLY A 37 8.871 3.465 -5.063 1.00 13.42 H new ATOM 0 HA2 GLY A 37 8.893 6.248 -4.378 1.00 54.32 H new ATOM 0 HA3 GLY A 37 9.439 5.254 -3.042 1.00 54.32 H new ATOM 546 N GLY A 38 11.417 4.099 -4.441 1.00 72.01 N ATOM 547 CA GLY A 38 12.740 3.895 -5.000 1.00 45.31 C ATOM 548 C GLY A 38 12.695 3.413 -6.436 1.00 63.14 C ATOM 549 O GLY A 38 11.652 3.475 -7.086 1.00 62.24 O ATOM 0 H GLY A 38 11.107 3.371 -3.797 1.00 72.01 H new ATOM 0 HA2 GLY A 38 13.300 4.829 -4.951 1.00 45.31 H new ATOM 0 HA3 GLY A 38 13.279 3.168 -4.393 1.00 45.31 H new ATOM 553 N ALA A 39 13.830 2.932 -6.934 1.00 2.44 N ATOM 554 CA ALA A 39 13.916 2.437 -8.302 1.00 12.41 C ATOM 555 C ALA A 39 15.130 1.534 -8.484 1.00 24.52 C ATOM 556 O ALA A 39 15.957 1.759 -9.368 1.00 73.32 O ATOM 557 CB ALA A 39 13.970 3.600 -9.282 1.00 15.45 C ATOM 0 H ALA A 39 14.703 2.875 -6.410 1.00 2.44 H new ATOM 0 HA ALA A 39 13.023 1.846 -8.505 1.00 12.41 H new ATOM 0 HB1 ALA A 39 14.034 3.215 -10.300 1.00 15.45 H new ATOM 0 HB2 ALA A 39 13.069 4.205 -9.179 1.00 15.45 H new ATOM 0 HB3 ALA A 39 14.845 4.214 -9.070 1.00 15.45 H new ATOM 563 N ASP A 40 15.233 0.511 -7.641 1.00 53.55 N ATOM 564 CA ASP A 40 16.347 -0.427 -7.710 1.00 32.03 C ATOM 565 C ASP A 40 17.657 0.304 -7.984 1.00 2.21 C ATOM 566 O ASP A 40 18.095 0.407 -9.131 1.00 1.14 O ATOM 567 CB ASP A 40 16.095 -1.473 -8.797 1.00 53.20 C ATOM 568 CG ASP A 40 15.771 -0.846 -10.139 1.00 62.11 C ATOM 569 OD1 ASP A 40 14.600 -0.468 -10.351 1.00 12.44 O ATOM 570 OD2 ASP A 40 16.690 -0.733 -10.977 1.00 75.45 O ATOM 0 H ASP A 40 14.558 0.311 -6.903 1.00 53.55 H new ATOM 0 HA ASP A 40 16.427 -0.929 -6.746 1.00 32.03 H new ATOM 0 HB2 ASP A 40 16.976 -2.107 -8.898 1.00 53.20 H new ATOM 0 HB3 ASP A 40 15.271 -2.118 -8.492 1.00 53.20 H new ATOM 575 N LEU A 41 18.278 0.811 -6.925 1.00 4.41 N ATOM 576 CA LEU A 41 19.539 1.535 -7.051 1.00 20.30 C ATOM 577 C LEU A 41 20.408 1.334 -5.814 1.00 21.04 C ATOM 578 O LEU A 41 21.379 0.579 -5.841 1.00 65.03 O ATOM 579 CB LEU A 41 19.275 3.026 -7.266 1.00 71.12 C ATOM 580 CG LEU A 41 20.479 3.952 -7.096 1.00 44.33 C ATOM 581 CD1 LEU A 41 20.692 4.786 -8.350 1.00 45.31 C ATOM 582 CD2 LEU A 41 20.295 4.850 -5.882 1.00 32.05 C ATOM 0 H LEU A 41 17.929 0.734 -5.969 1.00 4.41 H new ATOM 0 HA LEU A 41 20.072 1.139 -7.915 1.00 20.30 H new ATOM 0 HB2 LEU A 41 18.876 3.163 -8.271 1.00 71.12 H new ATOM 0 HB3 LEU A 41 18.498 3.341 -6.569 1.00 71.12 H new ATOM 0 HG LEU A 41 21.365 3.338 -6.937 1.00 44.33 H new ATOM 0 HD11 LEU A 41 21.553 5.439 -8.211 1.00 45.31 H new ATOM 0 HD12 LEU A 41 20.870 4.127 -9.200 1.00 45.31 H new ATOM 0 HD13 LEU A 41 19.805 5.391 -8.540 1.00 45.31 H new ATOM 0 HD21 LEU A 41 21.162 5.502 -5.777 1.00 32.05 H new ATOM 0 HD22 LEU A 41 19.398 5.456 -6.010 1.00 32.05 H new ATOM 0 HD23 LEU A 41 20.193 4.236 -4.987 1.00 32.05 H new ATOM 594 N MET A 42 20.050 2.013 -4.729 1.00 2.50 N ATOM 595 CA MET A 42 20.796 1.907 -3.480 1.00 72.32 C ATOM 596 C MET A 42 20.178 2.790 -2.401 1.00 31.11 C ATOM 597 O MET A 42 19.832 3.944 -2.652 1.00 61.50 O ATOM 598 CB MET A 42 22.259 2.297 -3.700 1.00 14.53 C ATOM 599 CG MET A 42 23.246 1.365 -3.016 1.00 12.50 C ATOM 600 SD MET A 42 24.638 2.246 -2.282 1.00 60.54 S ATOM 601 CE MET A 42 23.798 3.251 -1.061 1.00 34.40 C ATOM 0 H MET A 42 19.248 2.642 -4.689 1.00 2.50 H new ATOM 0 HA MET A 42 20.751 0.871 -3.146 1.00 72.32 H new ATOM 0 HB2 MET A 42 22.466 2.310 -4.770 1.00 14.53 H new ATOM 0 HB3 MET A 42 22.415 3.311 -3.333 1.00 14.53 H new ATOM 0 HG2 MET A 42 22.729 0.800 -2.241 1.00 12.50 H new ATOM 0 HG3 MET A 42 23.620 0.642 -3.741 1.00 12.50 H new ATOM 0 HE1 MET A 42 24.490 3.500 -0.257 1.00 34.40 H new ATOM 0 HE2 MET A 42 23.440 4.168 -1.529 1.00 34.40 H new ATOM 0 HE3 MET A 42 22.952 2.697 -0.653 1.00 34.40 H new ATOM 611 N GLY A 43 20.042 2.240 -1.198 1.00 73.41 N ATOM 612 CA GLY A 43 19.465 2.992 -0.099 1.00 71.22 C ATOM 613 C GLY A 43 19.672 2.313 1.240 1.00 23.21 C ATOM 614 O GLY A 43 20.546 2.689 2.022 1.00 70.50 O ATOM 0 H GLY A 43 20.321 1.287 -0.965 1.00 73.41 H new ATOM 0 HA2 GLY A 43 19.909 3.987 -0.071 1.00 71.22 H new ATOM 0 HA3 GLY A 43 18.397 3.125 -0.274 1.00 71.22 H new ATOM 618 N PRO A 44 18.854 1.288 1.522 1.00 53.25 N ATOM 619 CA PRO A 44 18.931 0.535 2.776 1.00 25.45 C ATOM 620 C PRO A 44 20.191 -0.321 2.862 1.00 1.51 C ATOM 621 O PRO A 44 20.491 -0.898 3.907 1.00 51.23 O ATOM 622 CB PRO A 44 17.685 -0.353 2.735 1.00 13.43 C ATOM 623 CG PRO A 44 17.376 -0.505 1.286 1.00 63.42 C ATOM 624 CD PRO A 44 17.790 0.786 0.636 1.00 14.21 C ATOM 0 HA PRO A 44 18.974 1.193 3.644 1.00 25.45 H new ATOM 0 HB2 PRO A 44 17.872 -1.319 3.203 1.00 13.43 H new ATOM 0 HB3 PRO A 44 16.854 0.106 3.271 1.00 13.43 H new ATOM 0 HG2 PRO A 44 17.918 -1.349 0.858 1.00 63.42 H new ATOM 0 HG3 PRO A 44 16.314 -0.697 1.132 1.00 63.42 H new ATOM 0 HD2 PRO A 44 18.154 0.626 -0.379 1.00 14.21 H new ATOM 0 HD3 PRO A 44 16.958 1.487 0.569 1.00 14.21 H new ATOM 632 N ALA A 45 20.925 -0.397 1.757 1.00 42.21 N ATOM 633 CA ALA A 45 22.154 -1.179 1.708 1.00 30.45 C ATOM 634 C ALA A 45 23.216 -0.592 2.632 1.00 51.33 C ATOM 635 O ALA A 45 23.479 -1.125 3.710 1.00 43.41 O ATOM 636 CB ALA A 45 22.676 -1.255 0.281 1.00 12.22 C ATOM 0 H ALA A 45 20.690 0.074 0.883 1.00 42.21 H new ATOM 0 HA ALA A 45 21.927 -2.188 2.053 1.00 30.45 H new ATOM 0 HB1 ALA A 45 23.594 -1.842 0.260 1.00 12.22 H new ATOM 0 HB2 ALA A 45 21.928 -1.728 -0.355 1.00 12.22 H new ATOM 0 HB3 ALA A 45 22.880 -0.249 -0.086 1.00 12.22 H new ATOM 642 N PHE A 46 23.824 0.509 2.202 1.00 54.14 N ATOM 643 CA PHE A 46 24.859 1.168 2.989 1.00 13.33 C ATOM 644 C PHE A 46 24.258 1.849 4.216 1.00 40.45 C ATOM 645 O PHE A 46 24.970 2.195 5.158 1.00 31.51 O ATOM 646 CB PHE A 46 25.603 2.196 2.134 1.00 11.14 C ATOM 647 CG PHE A 46 26.840 2.739 2.791 1.00 62.53 C ATOM 648 CD1 PHE A 46 28.003 1.986 2.837 1.00 35.24 C ATOM 649 CD2 PHE A 46 26.841 4.001 3.362 1.00 52.14 C ATOM 650 CE1 PHE A 46 29.143 2.482 3.440 1.00 0.13 C ATOM 651 CE2 PHE A 46 27.978 4.503 3.965 1.00 22.25 C ATOM 652 CZ PHE A 46 29.130 3.742 4.006 1.00 64.00 C ATOM 0 H PHE A 46 23.617 0.963 1.312 1.00 54.14 H new ATOM 0 HA PHE A 46 25.564 0.408 3.326 1.00 13.33 H new ATOM 0 HB2 PHE A 46 25.877 1.737 1.184 1.00 11.14 H new ATOM 0 HB3 PHE A 46 24.930 3.022 1.906 1.00 11.14 H new ATOM 0 HD1 PHE A 46 28.018 1.000 2.396 1.00 35.24 H new ATOM 0 HD2 PHE A 46 25.942 4.599 3.335 1.00 52.14 H new ATOM 0 HE1 PHE A 46 30.043 1.885 3.469 1.00 0.13 H new ATOM 0 HE2 PHE A 46 27.966 5.490 4.404 1.00 22.25 H new ATOM 0 HZ PHE A 46 30.019 4.131 4.480 1.00 64.00 H new ATOM 662 N ALA A 47 22.943 2.040 4.194 1.00 31.24 N ATOM 663 CA ALA A 47 22.246 2.678 5.304 1.00 75.10 C ATOM 664 C ALA A 47 22.138 1.737 6.499 1.00 61.31 C ATOM 665 O ALA A 47 22.284 2.156 7.647 1.00 51.35 O ATOM 666 CB ALA A 47 20.863 3.136 4.865 1.00 52.14 C ATOM 0 H ALA A 47 22.339 1.762 3.420 1.00 31.24 H new ATOM 0 HA ALA A 47 22.825 3.549 5.612 1.00 75.10 H new ATOM 0 HB1 ALA A 47 20.354 3.611 5.704 1.00 52.14 H new ATOM 0 HB2 ALA A 47 20.959 3.850 4.047 1.00 52.14 H new ATOM 0 HB3 ALA A 47 20.284 2.276 4.529 1.00 52.14 H new ATOM 672 N ALA A 48 21.882 0.463 6.222 1.00 74.55 N ATOM 673 CA ALA A 48 21.756 -0.538 7.274 1.00 70.11 C ATOM 674 C ALA A 48 23.100 -1.193 7.572 1.00 5.12 C ATOM 675 O ALA A 48 23.262 -1.866 8.589 1.00 71.51 O ATOM 676 CB ALA A 48 20.730 -1.591 6.882 1.00 54.43 C ATOM 0 H ALA A 48 21.758 0.099 5.277 1.00 74.55 H new ATOM 0 HA ALA A 48 21.417 -0.035 8.180 1.00 70.11 H new ATOM 0 HB1 ALA A 48 20.647 -2.332 7.677 1.00 54.43 H new ATOM 0 HB2 ALA A 48 19.762 -1.115 6.726 1.00 54.43 H new ATOM 0 HB3 ALA A 48 21.046 -2.081 5.961 1.00 54.43 H new ATOM 682 N GLY A 49 24.064 -0.991 6.678 1.00 55.31 N ATOM 683 CA GLY A 49 25.382 -1.569 6.864 1.00 75.04 C ATOM 684 C GLY A 49 25.478 -2.979 6.317 1.00 61.44 C ATOM 685 O GLY A 49 26.520 -3.627 6.428 1.00 42.40 O ATOM 0 H GLY A 49 23.955 -0.437 5.828 1.00 55.31 H new ATOM 0 HA2 GLY A 49 26.124 -0.940 6.372 1.00 75.04 H new ATOM 0 HA3 GLY A 49 25.625 -1.577 7.926 1.00 75.04 H new ATOM 689 N LEU A 50 24.389 -3.459 5.725 1.00 3.34 N ATOM 690 CA LEU A 50 24.355 -4.803 5.160 1.00 34.11 C ATOM 691 C LEU A 50 25.306 -4.920 3.974 1.00 43.32 C ATOM 692 O LEU A 50 25.272 -4.101 3.055 1.00 71.10 O ATOM 693 CB LEU A 50 22.932 -5.158 4.724 1.00 51.40 C ATOM 694 CG LEU A 50 21.822 -4.827 5.722 1.00 32.02 C ATOM 695 CD1 LEU A 50 20.466 -5.238 5.169 1.00 63.23 C ATOM 696 CD2 LEU A 50 22.084 -5.509 7.057 1.00 62.31 C ATOM 0 H LEU A 50 23.518 -2.937 5.624 1.00 3.34 H new ATOM 0 HA LEU A 50 24.678 -5.503 5.931 1.00 34.11 H new ATOM 0 HB2 LEU A 50 22.720 -4.639 3.789 1.00 51.40 H new ATOM 0 HB3 LEU A 50 22.895 -6.226 4.511 1.00 51.40 H new ATOM 0 HG LEU A 50 21.814 -3.749 5.882 1.00 32.02 H new ATOM 0 HD11 LEU A 50 19.689 -4.995 5.893 1.00 63.23 H new ATOM 0 HD12 LEU A 50 20.275 -4.703 4.239 1.00 63.23 H new ATOM 0 HD13 LEU A 50 20.461 -6.311 4.978 1.00 63.23 H new ATOM 0 HD21 LEU A 50 21.284 -5.262 7.755 1.00 62.31 H new ATOM 0 HD22 LEU A 50 22.120 -6.589 6.913 1.00 62.31 H new ATOM 0 HD23 LEU A 50 23.036 -5.165 7.461 1.00 62.31 H new ATOM 708 N ARG A 51 26.153 -5.943 4.000 1.00 64.41 N ATOM 709 CA ARG A 51 27.114 -6.168 2.926 1.00 12.22 C ATOM 710 C ARG A 51 27.284 -7.659 2.652 1.00 75.25 C ATOM 711 O ARG A 51 26.730 -8.499 3.361 1.00 10.14 O ATOM 712 CB ARG A 51 28.465 -5.547 3.284 1.00 24.21 C ATOM 713 CG ARG A 51 28.640 -4.128 2.768 1.00 70.31 C ATOM 714 CD ARG A 51 29.861 -4.009 1.870 1.00 4.50 C ATOM 715 NE ARG A 51 29.734 -2.910 0.916 1.00 31.01 N ATOM 716 CZ ARG A 51 29.917 -1.634 1.236 1.00 12.22 C ATOM 717 NH1 ARG A 51 30.234 -1.297 2.479 1.00 71.42 N ATOM 718 NH2 ARG A 51 29.783 -0.691 0.312 1.00 31.10 N ATOM 0 H ARG A 51 26.194 -6.630 4.753 1.00 64.41 H new ATOM 0 HA ARG A 51 26.731 -5.692 2.024 1.00 12.22 H new ATOM 0 HB2 ARG A 51 28.579 -5.547 4.368 1.00 24.21 H new ATOM 0 HB3 ARG A 51 29.261 -6.172 2.880 1.00 24.21 H new ATOM 0 HG2 ARG A 51 27.750 -3.828 2.215 1.00 70.31 H new ATOM 0 HG3 ARG A 51 28.738 -3.443 3.610 1.00 70.31 H new ATOM 0 HD2 ARG A 51 30.749 -3.856 2.484 1.00 4.50 H new ATOM 0 HD3 ARG A 51 30.005 -4.944 1.329 1.00 4.50 H new ATOM 0 HE ARG A 51 29.491 -3.135 -0.049 1.00 31.01 H new ATOM 0 HH11 ARG A 51 30.338 -2.019 3.192 1.00 71.42 H new ATOM 0 HH12 ARG A 51 30.374 -0.316 2.722 1.00 71.42 H new ATOM 0 HH21 ARG A 51 29.539 -0.946 -0.645 1.00 31.10 H new ATOM 0 HH22 ARG A 51 29.924 0.289 0.559 1.00 31.10 H new ATOM 732 N VAL A 52 28.052 -7.981 1.616 1.00 24.31 N ATOM 733 CA VAL A 52 28.296 -9.371 1.248 1.00 52.25 C ATOM 734 C VAL A 52 28.981 -10.128 2.380 1.00 41.44 C ATOM 735 O VAL A 52 29.946 -9.643 2.969 1.00 22.32 O ATOM 736 CB VAL A 52 29.163 -9.471 -0.021 1.00 60.33 C ATOM 737 CG1 VAL A 52 28.516 -8.716 -1.172 1.00 12.31 C ATOM 738 CG2 VAL A 52 30.565 -8.947 0.249 1.00 23.55 C ATOM 0 H VAL A 52 28.516 -7.298 1.017 1.00 24.31 H new ATOM 0 HA VAL A 52 27.323 -9.822 1.051 1.00 52.25 H new ATOM 0 HB VAL A 52 29.240 -10.521 -0.305 1.00 60.33 H new ATOM 0 HG11 VAL A 52 29.143 -8.798 -2.060 1.00 12.31 H new ATOM 0 HG12 VAL A 52 27.535 -9.142 -1.381 1.00 12.31 H new ATOM 0 HG13 VAL A 52 28.406 -7.666 -0.902 1.00 12.31 H new ATOM 0 HG21 VAL A 52 31.164 -9.025 -0.658 1.00 23.55 H new ATOM 0 HG22 VAL A 52 30.510 -7.903 0.559 1.00 23.55 H new ATOM 0 HG23 VAL A 52 31.027 -9.536 1.041 1.00 23.55 H new ATOM 748 N GLY A 53 28.475 -11.321 2.678 1.00 3.52 N ATOM 749 CA GLY A 53 29.051 -12.126 3.739 1.00 64.21 C ATOM 750 C GLY A 53 28.357 -11.915 5.070 1.00 43.42 C ATOM 751 O GLY A 53 28.828 -12.386 6.105 1.00 23.10 O ATOM 0 H GLY A 53 27.677 -11.744 2.204 1.00 3.52 H new ATOM 0 HA2 GLY A 53 28.991 -13.179 3.465 1.00 64.21 H new ATOM 0 HA3 GLY A 53 30.109 -11.883 3.842 1.00 64.21 H new ATOM 755 N ASP A 54 27.236 -11.203 5.044 1.00 41.22 N ATOM 756 CA ASP A 54 26.476 -10.929 6.258 1.00 51.12 C ATOM 757 C ASP A 54 25.254 -11.837 6.350 1.00 14.11 C ATOM 758 O ASP A 54 24.632 -12.160 5.338 1.00 31.34 O ATOM 759 CB ASP A 54 26.042 -9.463 6.293 1.00 15.22 C ATOM 760 CG ASP A 54 27.199 -8.523 6.567 1.00 52.52 C ATOM 761 OD1 ASP A 54 28.188 -8.561 5.805 1.00 51.01 O ATOM 762 OD2 ASP A 54 27.115 -7.748 7.542 1.00 2.52 O ATOM 0 H ASP A 54 26.833 -10.805 4.196 1.00 41.22 H new ATOM 0 HA ASP A 54 27.120 -11.129 7.114 1.00 51.12 H new ATOM 0 HB2 ASP A 54 25.582 -9.200 5.340 1.00 15.22 H new ATOM 0 HB3 ASP A 54 25.280 -9.331 7.062 1.00 15.22 H new ATOM 767 N GLN A 55 24.916 -12.245 7.569 1.00 3.32 N ATOM 768 CA GLN A 55 23.769 -13.117 7.792 1.00 24.04 C ATOM 769 C GLN A 55 22.517 -12.302 8.096 1.00 33.04 C ATOM 770 O GLN A 55 22.407 -11.685 9.157 1.00 72.01 O ATOM 771 CB GLN A 55 24.054 -14.085 8.942 1.00 1.23 C ATOM 772 CG GLN A 55 25.222 -15.020 8.675 1.00 24.12 C ATOM 773 CD GLN A 55 24.900 -16.465 9.003 1.00 41.34 C ATOM 774 OE1 GLN A 55 25.138 -16.929 10.118 1.00 10.52 O ATOM 775 NE2 GLN A 55 24.355 -17.185 8.029 1.00 23.23 N ATOM 0 H GLN A 55 25.420 -11.986 8.417 1.00 3.32 H new ATOM 0 HA GLN A 55 23.596 -13.688 6.880 1.00 24.04 H new ATOM 0 HB2 GLN A 55 24.258 -13.512 9.846 1.00 1.23 H new ATOM 0 HB3 GLN A 55 23.161 -14.679 9.136 1.00 1.23 H new ATOM 0 HG2 GLN A 55 25.510 -14.945 7.626 1.00 24.12 H new ATOM 0 HG3 GLN A 55 26.081 -14.700 9.265 1.00 24.12 H new ATOM 0 HE21 GLN A 55 24.175 -16.759 7.120 1.00 23.23 H new ATOM 0 HE22 GLN A 55 24.116 -18.163 8.190 1.00 23.23 H new ATOM 784 N LEU A 56 21.575 -12.303 7.160 1.00 75.40 N ATOM 785 CA LEU A 56 20.328 -11.564 7.327 1.00 4.53 C ATOM 786 C LEU A 56 19.151 -12.515 7.514 1.00 21.13 C ATOM 787 O LEU A 56 18.680 -13.132 6.559 1.00 54.33 O ATOM 788 CB LEU A 56 20.082 -10.661 6.117 1.00 11.33 C ATOM 789 CG LEU A 56 19.529 -9.268 6.421 1.00 52.22 C ATOM 790 CD1 LEU A 56 19.719 -8.346 5.226 1.00 20.12 C ATOM 791 CD2 LEU A 56 18.059 -9.350 6.805 1.00 54.23 C ATOM 0 H LEU A 56 21.651 -12.808 6.277 1.00 75.40 H new ATOM 0 HA LEU A 56 20.417 -10.947 8.221 1.00 4.53 H new ATOM 0 HB2 LEU A 56 21.022 -10.547 5.577 1.00 11.33 H new ATOM 0 HB3 LEU A 56 19.388 -11.167 5.446 1.00 11.33 H new ATOM 0 HG LEU A 56 20.082 -8.855 7.265 1.00 52.22 H new ATOM 0 HD11 LEU A 56 19.320 -7.359 5.461 1.00 20.12 H new ATOM 0 HD12 LEU A 56 20.781 -8.262 4.996 1.00 20.12 H new ATOM 0 HD13 LEU A 56 19.192 -8.755 4.364 1.00 20.12 H new ATOM 0 HD21 LEU A 56 17.682 -8.350 7.018 1.00 54.23 H new ATOM 0 HD22 LEU A 56 17.492 -9.784 5.982 1.00 54.23 H new ATOM 0 HD23 LEU A 56 17.949 -9.975 7.691 1.00 54.23 H new ATOM 803 N VAL A 57 18.679 -12.628 8.752 1.00 70.32 N ATOM 804 CA VAL A 57 17.554 -13.502 9.064 1.00 3.01 C ATOM 805 C VAL A 57 16.280 -12.697 9.294 1.00 42.23 C ATOM 806 O VAL A 57 15.180 -13.156 8.986 1.00 10.31 O ATOM 807 CB VAL A 57 17.839 -14.359 10.312 1.00 52.10 C ATOM 808 CG1 VAL A 57 18.811 -15.480 9.979 1.00 22.25 C ATOM 809 CG2 VAL A 57 18.377 -13.493 11.441 1.00 13.11 C ATOM 0 H VAL A 57 19.058 -12.125 9.555 1.00 70.32 H new ATOM 0 HA VAL A 57 17.415 -14.159 8.205 1.00 3.01 H new ATOM 0 HB VAL A 57 16.903 -14.809 10.644 1.00 52.10 H new ATOM 0 HG11 VAL A 57 19.000 -16.075 10.873 1.00 22.25 H new ATOM 0 HG12 VAL A 57 18.382 -16.116 9.204 1.00 22.25 H new ATOM 0 HG13 VAL A 57 19.748 -15.054 9.621 1.00 22.25 H new ATOM 0 HG21 VAL A 57 18.573 -14.115 12.315 1.00 13.11 H new ATOM 0 HG22 VAL A 57 19.302 -13.013 11.122 1.00 13.11 H new ATOM 0 HG23 VAL A 57 17.642 -12.730 11.696 1.00 13.11 H new ATOM 819 N ARG A 58 16.437 -11.494 9.836 1.00 52.54 N ATOM 820 CA ARG A 58 15.299 -10.624 10.107 1.00 15.03 C ATOM 821 C ARG A 58 14.375 -11.247 11.150 1.00 71.12 C ATOM 822 O ARG A 58 13.242 -10.802 11.336 1.00 2.03 O ATOM 823 CB ARG A 58 14.520 -10.350 8.819 1.00 20.02 C ATOM 824 CG ARG A 58 13.672 -9.090 8.877 1.00 74.25 C ATOM 825 CD ARG A 58 12.190 -9.410 8.754 1.00 61.21 C ATOM 826 NE ARG A 58 11.371 -8.202 8.707 1.00 2.12 N ATOM 827 CZ ARG A 58 10.070 -8.186 8.972 1.00 55.41 C ATOM 828 NH1 ARG A 58 9.442 -9.307 9.301 1.00 44.53 N ATOM 829 NH2 ARG A 58 9.393 -7.046 8.908 1.00 34.13 N ATOM 0 H ARG A 58 17.341 -11.100 10.096 1.00 52.54 H new ATOM 0 HA ARG A 58 15.680 -9.681 10.500 1.00 15.03 H new ATOM 0 HB2 ARG A 58 15.223 -10.267 7.990 1.00 20.02 H new ATOM 0 HB3 ARG A 58 13.875 -11.202 8.606 1.00 20.02 H new ATOM 0 HG2 ARG A 58 13.856 -8.569 9.817 1.00 74.25 H new ATOM 0 HG3 ARG A 58 13.967 -8.414 8.075 1.00 74.25 H new ATOM 0 HD2 ARG A 58 12.020 -9.998 7.852 1.00 61.21 H new ATOM 0 HD3 ARG A 58 11.881 -10.025 9.599 1.00 61.21 H new ATOM 0 HE ARG A 58 11.823 -7.322 8.457 1.00 2.12 H new ATOM 0 HH11 ARG A 58 9.959 -10.185 9.351 1.00 44.53 H new ATOM 0 HH12 ARG A 58 8.443 -9.291 9.504 1.00 44.53 H new ATOM 0 HH21 ARG A 58 9.872 -6.182 8.655 1.00 34.13 H new ATOM 0 HH22 ARG A 58 8.394 -7.034 9.112 1.00 34.13 H new ATOM 843 N PHE A 59 14.866 -12.280 11.826 1.00 23.12 N ATOM 844 CA PHE A 59 14.085 -12.966 12.849 1.00 51.32 C ATOM 845 C PHE A 59 14.969 -13.381 14.021 1.00 14.24 C ATOM 846 O PHE A 59 16.109 -13.803 13.834 1.00 43.32 O ATOM 847 CB PHE A 59 13.395 -14.196 12.255 1.00 45.23 C ATOM 848 CG PHE A 59 12.118 -13.876 11.532 1.00 63.43 C ATOM 849 CD1 PHE A 59 10.919 -13.790 12.221 1.00 45.01 C ATOM 850 CD2 PHE A 59 12.117 -13.663 10.163 1.00 75.34 C ATOM 851 CE1 PHE A 59 9.742 -13.496 11.559 1.00 44.13 C ATOM 852 CE2 PHE A 59 10.943 -13.368 9.495 1.00 32.51 C ATOM 853 CZ PHE A 59 9.754 -13.286 10.194 1.00 41.12 C ATOM 0 H PHE A 59 15.802 -12.661 11.684 1.00 23.12 H new ATOM 0 HA PHE A 59 13.327 -12.275 13.216 1.00 51.32 H new ATOM 0 HB2 PHE A 59 14.080 -14.689 11.565 1.00 45.23 H new ATOM 0 HB3 PHE A 59 13.182 -14.905 13.055 1.00 45.23 H new ATOM 0 HD1 PHE A 59 10.904 -13.955 13.288 1.00 45.01 H new ATOM 0 HD2 PHE A 59 13.043 -13.728 9.612 1.00 75.34 H new ATOM 0 HE1 PHE A 59 8.814 -13.431 12.108 1.00 44.13 H new ATOM 0 HE2 PHE A 59 10.955 -13.202 8.428 1.00 32.51 H new ATOM 0 HZ PHE A 59 8.835 -13.058 9.674 1.00 41.12 H new ATOM 863 N ALA A 60 14.433 -13.257 15.231 1.00 12.13 N ATOM 864 CA ALA A 60 15.171 -13.620 16.435 1.00 60.05 C ATOM 865 C ALA A 60 15.606 -15.081 16.392 1.00 50.02 C ATOM 866 O ALA A 60 15.006 -15.897 15.694 1.00 34.43 O ATOM 867 CB ALA A 60 14.327 -13.355 17.672 1.00 14.31 C ATOM 0 H ALA A 60 13.490 -12.908 15.403 1.00 12.13 H new ATOM 0 HA ALA A 60 16.068 -13.002 16.482 1.00 60.05 H new ATOM 0 HB1 ALA A 60 14.891 -13.631 18.563 1.00 14.31 H new ATOM 0 HB2 ALA A 60 14.071 -12.297 17.718 1.00 14.31 H new ATOM 0 HB3 ALA A 60 13.413 -13.948 17.623 1.00 14.31 H new ATOM 873 N GLY A 61 16.655 -15.404 17.142 1.00 0.35 N ATOM 874 CA GLY A 61 17.153 -16.767 17.175 1.00 52.51 C ATOM 875 C GLY A 61 18.025 -17.094 15.979 1.00 3.43 C ATOM 876 O GLY A 61 18.542 -18.205 15.865 1.00 61.32 O ATOM 0 H GLY A 61 17.169 -14.746 17.728 1.00 0.35 H new ATOM 0 HA2 GLY A 61 17.725 -16.920 18.090 1.00 52.51 H new ATOM 0 HA3 GLY A 61 16.310 -17.458 17.206 1.00 52.51 H new ATOM 880 N TYR A 62 18.189 -16.125 15.086 1.00 53.44 N ATOM 881 CA TYR A 62 19.001 -16.316 13.890 1.00 23.52 C ATOM 882 C TYR A 62 18.444 -17.444 13.028 1.00 75.45 C ATOM 883 O TYR A 62 18.878 -18.592 13.127 1.00 32.54 O ATOM 884 CB TYR A 62 20.449 -16.623 14.276 1.00 3.12 C ATOM 885 CG TYR A 62 21.100 -15.533 15.098 1.00 65.41 C ATOM 886 CD1 TYR A 62 21.561 -14.367 14.500 1.00 0.31 C ATOM 887 CD2 TYR A 62 21.256 -15.671 16.472 1.00 41.04 C ATOM 888 CE1 TYR A 62 22.157 -13.369 15.247 1.00 43.24 C ATOM 889 CE2 TYR A 62 21.850 -14.678 17.226 1.00 13.32 C ATOM 890 CZ TYR A 62 22.299 -13.529 16.609 1.00 12.22 C ATOM 891 OH TYR A 62 22.892 -12.538 17.357 1.00 10.33 O ATOM 0 H TYR A 62 17.770 -15.199 15.168 1.00 53.44 H new ATOM 0 HA TYR A 62 18.973 -15.393 13.311 1.00 23.52 H new ATOM 0 HB2 TYR A 62 20.476 -17.556 14.838 1.00 3.12 H new ATOM 0 HB3 TYR A 62 21.033 -16.780 13.369 1.00 3.12 H new ATOM 0 HD1 TYR A 62 21.452 -14.238 13.433 1.00 0.31 H new ATOM 0 HD2 TYR A 62 20.907 -16.570 16.958 1.00 41.04 H new ATOM 0 HE1 TYR A 62 22.510 -12.468 14.767 1.00 43.24 H new ATOM 0 HE2 TYR A 62 21.962 -14.801 18.293 1.00 13.32 H new ATOM 0 HH TYR A 62 22.246 -11.819 17.518 1.00 10.33 H new ATOM 901 N THR A 63 17.477 -17.109 12.178 1.00 3.33 N ATOM 902 CA THR A 63 16.858 -18.091 11.298 1.00 64.34 C ATOM 903 C THR A 63 15.868 -17.430 10.346 1.00 61.02 C ATOM 904 O THR A 63 15.176 -16.481 10.715 1.00 41.03 O ATOM 905 CB THR A 63 16.129 -19.185 12.101 1.00 42.05 C ATOM 906 OG1 THR A 63 15.344 -19.997 11.221 1.00 73.12 O ATOM 907 CG2 THR A 63 15.234 -18.569 13.165 1.00 53.32 C ATOM 0 H THR A 63 17.106 -16.164 12.081 1.00 3.33 H new ATOM 0 HA THR A 63 17.662 -18.549 10.721 1.00 64.34 H new ATOM 0 HB THR A 63 16.879 -19.804 12.594 1.00 42.05 H new ATOM 0 HG1 THR A 63 14.885 -20.691 11.739 1.00 73.12 H new ATOM 0 HG21 THR A 63 14.730 -19.361 13.719 1.00 53.32 H new ATOM 0 HG22 THR A 63 15.839 -17.975 13.850 1.00 53.32 H new ATOM 0 HG23 THR A 63 14.491 -17.929 12.689 1.00 53.32 H new ATOM 915 N VAL A 64 15.804 -17.938 9.119 1.00 45.41 N ATOM 916 CA VAL A 64 14.897 -17.397 8.114 1.00 12.11 C ATOM 917 C VAL A 64 14.415 -18.488 7.165 1.00 73.20 C ATOM 918 O VAL A 64 15.076 -19.513 6.991 1.00 51.42 O ATOM 919 CB VAL A 64 15.568 -16.279 7.295 1.00 43.04 C ATOM 920 CG1 VAL A 64 16.650 -16.854 6.393 1.00 41.21 C ATOM 921 CG2 VAL A 64 14.532 -15.520 6.480 1.00 13.11 C ATOM 0 H VAL A 64 16.370 -18.723 8.797 1.00 45.41 H new ATOM 0 HA VAL A 64 14.043 -16.982 8.649 1.00 12.11 H new ATOM 0 HB VAL A 64 16.038 -15.579 7.986 1.00 43.04 H new ATOM 0 HG11 VAL A 64 17.113 -16.049 5.822 1.00 41.21 H new ATOM 0 HG12 VAL A 64 17.407 -17.349 7.002 1.00 41.21 H new ATOM 0 HG13 VAL A 64 16.207 -17.577 5.708 1.00 41.21 H new ATOM 0 HG21 VAL A 64 15.024 -14.734 5.908 1.00 13.11 H new ATOM 0 HG22 VAL A 64 14.032 -16.207 5.797 1.00 13.11 H new ATOM 0 HG23 VAL A 64 13.797 -15.075 7.150 1.00 13.11 H new ATOM 931 N THR A 65 13.257 -18.262 6.551 1.00 20.54 N ATOM 932 CA THR A 65 12.685 -19.226 5.620 1.00 61.31 C ATOM 933 C THR A 65 13.520 -19.324 4.348 1.00 54.41 C ATOM 934 O THR A 65 14.270 -20.280 4.160 1.00 64.14 O ATOM 935 CB THR A 65 11.238 -18.854 5.244 1.00 44.01 C ATOM 936 OG1 THR A 65 10.980 -17.487 5.584 1.00 21.33 O ATOM 937 CG2 THR A 65 10.244 -19.757 5.959 1.00 42.43 C ATOM 0 H THR A 65 12.697 -17.419 6.682 1.00 20.54 H new ATOM 0 HA THR A 65 12.684 -20.192 6.126 1.00 61.31 H new ATOM 0 HB THR A 65 11.119 -18.989 4.169 1.00 44.01 H new ATOM 0 HG1 THR A 65 10.022 -17.302 5.491 1.00 21.33 H new ATOM 0 HG21 THR A 65 9.229 -19.475 5.678 1.00 42.43 H new ATOM 0 HG22 THR A 65 10.425 -20.794 5.675 1.00 42.43 H new ATOM 0 HG23 THR A 65 10.365 -19.650 7.037 1.00 42.43 H new ATOM 945 N GLU A 66 13.383 -18.327 3.478 1.00 23.25 N ATOM 946 CA GLU A 66 14.126 -18.302 2.224 1.00 71.22 C ATOM 947 C GLU A 66 14.274 -16.874 1.708 1.00 52.25 C ATOM 948 O GLU A 66 13.850 -15.919 2.360 1.00 41.32 O ATOM 949 CB GLU A 66 13.425 -19.166 1.173 1.00 12.12 C ATOM 950 CG GLU A 66 12.033 -18.675 0.812 1.00 41.22 C ATOM 951 CD GLU A 66 10.953 -19.684 1.148 1.00 33.14 C ATOM 952 OE1 GLU A 66 11.182 -20.892 0.931 1.00 21.42 O ATOM 953 OE2 GLU A 66 9.878 -19.266 1.628 1.00 23.33 O ATOM 0 H GLU A 66 12.765 -17.528 3.619 1.00 23.25 H new ATOM 0 HA GLU A 66 15.120 -18.707 2.412 1.00 71.22 H new ATOM 0 HB2 GLU A 66 14.037 -19.194 0.271 1.00 12.12 H new ATOM 0 HB3 GLU A 66 13.356 -20.189 1.543 1.00 12.12 H new ATOM 0 HG2 GLU A 66 11.832 -17.743 1.341 1.00 41.22 H new ATOM 0 HG3 GLU A 66 11.996 -18.450 -0.254 1.00 41.22 H new ATOM 960 N LEU A 67 14.878 -16.735 0.533 1.00 63.53 N ATOM 961 CA LEU A 67 15.083 -15.424 -0.072 1.00 65.04 C ATOM 962 C LEU A 67 13.752 -14.787 -0.456 1.00 53.01 C ATOM 963 O LEU A 67 13.602 -13.566 -0.417 1.00 64.13 O ATOM 964 CB LEU A 67 15.979 -15.545 -1.307 1.00 14.41 C ATOM 965 CG LEU A 67 15.513 -16.529 -2.381 1.00 15.45 C ATOM 966 CD1 LEU A 67 14.516 -15.864 -3.318 1.00 4.43 C ATOM 967 CD2 LEU A 67 16.702 -17.070 -3.160 1.00 51.13 C ATOM 0 H LEU A 67 15.234 -17.515 -0.020 1.00 63.53 H new ATOM 0 HA LEU A 67 15.572 -14.784 0.663 1.00 65.04 H new ATOM 0 HB2 LEU A 67 16.072 -14.559 -1.762 1.00 14.41 H new ATOM 0 HB3 LEU A 67 16.976 -15.840 -0.980 1.00 14.41 H new ATOM 0 HG LEU A 67 15.016 -17.365 -1.890 1.00 15.45 H new ATOM 0 HD11 LEU A 67 14.196 -16.579 -4.075 1.00 4.43 H new ATOM 0 HD12 LEU A 67 13.650 -15.527 -2.748 1.00 4.43 H new ATOM 0 HD13 LEU A 67 14.987 -15.009 -3.803 1.00 4.43 H new ATOM 0 HD21 LEU A 67 16.352 -17.769 -3.920 1.00 51.13 H new ATOM 0 HD22 LEU A 67 17.228 -16.245 -3.640 1.00 51.13 H new ATOM 0 HD23 LEU A 67 17.380 -17.585 -2.479 1.00 51.13 H new ATOM 979 N ALA A 68 12.786 -15.623 -0.825 1.00 3.35 N ATOM 980 CA ALA A 68 11.466 -15.142 -1.211 1.00 13.41 C ATOM 981 C ALA A 68 10.766 -14.458 -0.041 1.00 24.22 C ATOM 982 O ALA A 68 10.085 -13.448 -0.217 1.00 23.45 O ATOM 983 CB ALA A 68 10.618 -16.291 -1.736 1.00 43.25 C ATOM 0 H ALA A 68 12.894 -16.637 -0.864 1.00 3.35 H new ATOM 0 HA ALA A 68 11.593 -14.406 -2.005 1.00 13.41 H new ATOM 0 HB1 ALA A 68 9.635 -15.917 -2.021 1.00 43.25 H new ATOM 0 HB2 ALA A 68 11.103 -16.734 -2.606 1.00 43.25 H new ATOM 0 HB3 ALA A 68 10.508 -17.047 -0.958 1.00 43.25 H new ATOM 989 N ALA A 69 10.939 -15.016 1.153 1.00 13.12 N ATOM 990 CA ALA A 69 10.325 -14.459 2.352 1.00 20.13 C ATOM 991 C ALA A 69 10.945 -13.113 2.712 1.00 25.42 C ATOM 992 O ALA A 69 10.236 -12.138 2.961 1.00 64.14 O ATOM 993 CB ALA A 69 10.459 -15.432 3.514 1.00 21.03 C ATOM 0 H ALA A 69 11.499 -15.853 1.315 1.00 13.12 H new ATOM 0 HA ALA A 69 9.267 -14.298 2.147 1.00 20.13 H new ATOM 0 HB1 ALA A 69 9.996 -15.003 4.403 1.00 21.03 H new ATOM 0 HB2 ALA A 69 9.963 -16.369 3.263 1.00 21.03 H new ATOM 0 HB3 ALA A 69 11.514 -15.622 3.710 1.00 21.03 H new ATOM 999 N PHE A 70 12.273 -13.068 2.739 1.00 3.43 N ATOM 1000 CA PHE A 70 12.989 -11.841 3.071 1.00 64.32 C ATOM 1001 C PHE A 70 12.812 -10.794 1.975 1.00 74.51 C ATOM 1002 O PHE A 70 12.757 -9.597 2.249 1.00 13.43 O ATOM 1003 CB PHE A 70 14.477 -12.134 3.276 1.00 42.13 C ATOM 1004 CG PHE A 70 15.309 -10.899 3.476 1.00 31.32 C ATOM 1005 CD1 PHE A 70 14.986 -9.984 4.465 1.00 42.43 C ATOM 1006 CD2 PHE A 70 16.413 -10.654 2.676 1.00 60.32 C ATOM 1007 CE1 PHE A 70 15.750 -8.847 4.652 1.00 13.31 C ATOM 1008 CE2 PHE A 70 17.180 -9.520 2.859 1.00 43.52 C ATOM 1009 CZ PHE A 70 16.848 -8.614 3.847 1.00 14.03 C ATOM 0 H PHE A 70 12.875 -13.866 2.535 1.00 3.43 H new ATOM 0 HA PHE A 70 12.572 -11.446 3.997 1.00 64.32 H new ATOM 0 HB2 PHE A 70 14.595 -12.786 4.142 1.00 42.13 H new ATOM 0 HB3 PHE A 70 14.854 -12.680 2.412 1.00 42.13 H new ATOM 0 HD1 PHE A 70 14.128 -10.161 5.097 1.00 42.43 H new ATOM 0 HD2 PHE A 70 16.677 -11.358 1.900 1.00 60.32 H new ATOM 0 HE1 PHE A 70 15.489 -8.142 5.427 1.00 13.31 H new ATOM 0 HE2 PHE A 70 18.039 -9.342 2.229 1.00 43.52 H new ATOM 0 HZ PHE A 70 17.445 -7.726 3.990 1.00 14.03 H new ATOM 1019 N ASN A 71 12.723 -11.257 0.732 1.00 10.10 N ATOM 1020 CA ASN A 71 12.553 -10.361 -0.406 1.00 73.23 C ATOM 1021 C ASN A 71 11.142 -9.780 -0.435 1.00 5.33 C ATOM 1022 O ASN A 71 10.949 -8.604 -0.745 1.00 4.54 O ATOM 1023 CB ASN A 71 12.836 -11.104 -1.713 1.00 65.34 C ATOM 1024 CG ASN A 71 12.634 -10.226 -2.933 1.00 74.42 C ATOM 1025 OD1 ASN A 71 11.502 -10.401 -3.606 1.00 41.10 O flip ATOM 1026 ND2 ASN A 71 13.484 -9.401 -3.266 1.00 62.32 N flip ATOM 0 H ASN A 71 12.766 -12.246 0.488 1.00 10.10 H new ATOM 0 HA ASN A 71 13.263 -9.541 -0.300 1.00 73.23 H new ATOM 0 HB2 ASN A 71 13.861 -11.476 -1.702 1.00 65.34 H new ATOM 0 HB3 ASN A 71 12.182 -11.973 -1.782 1.00 65.34 H new ATOM 0 HD21 ASN A 71 14.339 -9.301 -2.719 1.00 62.32 H new ATOM 0 HD22 ASN A 71 13.333 -8.817 -4.089 1.00 62.32 H new ATOM 1033 N THR A 72 10.158 -10.612 -0.109 1.00 3.14 N ATOM 1034 CA THR A 72 8.766 -10.182 -0.097 1.00 11.31 C ATOM 1035 C THR A 72 8.529 -9.115 0.966 1.00 52.01 C ATOM 1036 O THR A 72 7.909 -8.085 0.699 1.00 22.20 O ATOM 1037 CB THR A 72 7.814 -11.366 0.159 1.00 42.51 C ATOM 1038 OG1 THR A 72 8.333 -12.193 1.206 1.00 73.51 O ATOM 1039 CG2 THR A 72 7.628 -12.193 -1.104 1.00 22.11 C ATOM 0 H THR A 72 10.300 -11.588 0.150 1.00 3.14 H new ATOM 0 HA THR A 72 8.556 -9.763 -1.081 1.00 11.31 H new ATOM 0 HB THR A 72 6.845 -10.967 0.458 1.00 42.51 H new ATOM 0 HG1 THR A 72 8.923 -12.875 0.822 1.00 73.51 H new ATOM 0 HG21 THR A 72 6.952 -13.023 -0.899 1.00 22.11 H new ATOM 0 HG22 THR A 72 7.206 -11.567 -1.890 1.00 22.11 H new ATOM 0 HG23 THR A 72 8.593 -12.582 -1.429 1.00 22.11 H new ATOM 1047 N VAL A 73 9.026 -9.367 2.172 1.00 25.44 N ATOM 1048 CA VAL A 73 8.870 -8.427 3.276 1.00 62.22 C ATOM 1049 C VAL A 73 9.605 -7.122 2.994 1.00 42.33 C ATOM 1050 O VAL A 73 9.097 -6.037 3.277 1.00 50.33 O ATOM 1051 CB VAL A 73 9.391 -9.022 4.598 1.00 44.43 C ATOM 1052 CG1 VAL A 73 8.528 -10.196 5.033 1.00 54.42 C ATOM 1053 CG2 VAL A 73 10.846 -9.443 4.455 1.00 70.51 C ATOM 0 H VAL A 73 9.541 -10.215 2.410 1.00 25.44 H new ATOM 0 HA VAL A 73 7.803 -8.226 3.373 1.00 62.22 H new ATOM 0 HB VAL A 73 9.332 -8.254 5.370 1.00 44.43 H new ATOM 0 HG11 VAL A 73 8.912 -10.603 5.969 1.00 54.42 H new ATOM 0 HG12 VAL A 73 7.502 -9.859 5.178 1.00 54.42 H new ATOM 0 HG13 VAL A 73 8.551 -10.969 4.265 1.00 54.42 H new ATOM 0 HG21 VAL A 73 11.198 -9.861 5.398 1.00 70.51 H new ATOM 0 HG22 VAL A 73 10.932 -10.195 3.670 1.00 70.51 H new ATOM 0 HG23 VAL A 73 11.452 -8.575 4.194 1.00 70.51 H new ATOM 1063 N VAL A 74 10.805 -7.234 2.433 1.00 4.22 N ATOM 1064 CA VAL A 74 11.611 -6.062 2.111 1.00 71.14 C ATOM 1065 C VAL A 74 10.985 -5.261 0.974 1.00 24.21 C ATOM 1066 O VAL A 74 10.826 -4.045 1.073 1.00 42.13 O ATOM 1067 CB VAL A 74 13.046 -6.459 1.715 1.00 13.12 C ATOM 1068 CG1 VAL A 74 13.779 -5.274 1.106 1.00 1.32 C ATOM 1069 CG2 VAL A 74 13.799 -7.001 2.920 1.00 3.24 C ATOM 0 H VAL A 74 11.240 -8.124 2.192 1.00 4.22 H new ATOM 0 HA VAL A 74 11.647 -5.446 3.009 1.00 71.14 H new ATOM 0 HB VAL A 74 12.993 -7.247 0.964 1.00 13.12 H new ATOM 0 HG11 VAL A 74 14.791 -5.573 0.833 1.00 1.32 H new ATOM 0 HG12 VAL A 74 13.248 -4.936 0.216 1.00 1.32 H new ATOM 0 HG13 VAL A 74 13.825 -4.462 1.832 1.00 1.32 H new ATOM 0 HG21 VAL A 74 14.811 -7.277 2.623 1.00 3.24 H new ATOM 0 HG22 VAL A 74 13.844 -6.236 3.695 1.00 3.24 H new ATOM 0 HG23 VAL A 74 13.282 -7.879 3.307 1.00 3.24 H new ATOM 1079 N ALA A 75 10.632 -5.952 -0.105 1.00 21.12 N ATOM 1080 CA ALA A 75 10.021 -5.306 -1.260 1.00 3.33 C ATOM 1081 C ALA A 75 8.656 -4.726 -0.906 1.00 2.51 C ATOM 1082 O ALA A 75 8.329 -3.603 -1.292 1.00 61.32 O ATOM 1083 CB ALA A 75 9.895 -6.292 -2.411 1.00 64.12 C ATOM 0 H ALA A 75 10.759 -6.959 -0.203 1.00 21.12 H new ATOM 0 HA ALA A 75 10.667 -4.484 -1.569 1.00 3.33 H new ATOM 0 HB1 ALA A 75 9.437 -5.796 -3.267 1.00 64.12 H new ATOM 0 HB2 ALA A 75 10.884 -6.655 -2.689 1.00 64.12 H new ATOM 0 HB3 ALA A 75 9.273 -7.133 -2.104 1.00 64.12 H new ATOM 1089 N ARG A 76 7.863 -5.497 -0.170 1.00 21.31 N ATOM 1090 CA ARG A 76 6.532 -5.060 0.234 1.00 22.10 C ATOM 1091 C ARG A 76 6.583 -3.668 0.857 1.00 60.10 C ATOM 1092 O ARG A 76 5.873 -2.758 0.428 1.00 34.21 O ATOM 1093 CB ARG A 76 5.925 -6.053 1.227 1.00 25.11 C ATOM 1094 CG ARG A 76 5.156 -7.184 0.564 1.00 12.13 C ATOM 1095 CD ARG A 76 3.969 -6.660 -0.229 1.00 13.15 C ATOM 1096 NE ARG A 76 2.695 -7.026 0.386 1.00 65.31 N ATOM 1097 CZ ARG A 76 2.131 -8.221 0.251 1.00 60.13 C ATOM 1098 NH1 ARG A 76 2.724 -9.160 -0.473 1.00 64.22 N ATOM 1099 NH2 ARG A 76 0.971 -8.479 0.841 1.00 52.22 N ATOM 0 H ARG A 76 8.119 -6.428 0.159 1.00 21.31 H new ATOM 0 HA ARG A 76 5.905 -5.018 -0.656 1.00 22.10 H new ATOM 0 HB2 ARG A 76 6.722 -6.476 1.838 1.00 25.11 H new ATOM 0 HB3 ARG A 76 5.257 -5.517 1.901 1.00 25.11 H new ATOM 0 HG2 ARG A 76 5.821 -7.739 -0.098 1.00 12.13 H new ATOM 0 HG3 ARG A 76 4.807 -7.883 1.324 1.00 12.13 H new ATOM 0 HD2 ARG A 76 4.036 -5.575 -0.307 1.00 13.15 H new ATOM 0 HD3 ARG A 76 4.008 -7.055 -1.244 1.00 13.15 H new ATOM 0 HE ARG A 76 2.213 -6.326 0.950 1.00 65.31 H new ATOM 0 HH11 ARG A 76 3.616 -8.966 -0.928 1.00 64.22 H new ATOM 0 HH12 ARG A 76 2.288 -10.077 -0.575 1.00 64.22 H new ATOM 0 HH21 ARG A 76 0.511 -7.759 1.399 1.00 52.22 H new ATOM 0 HH22 ARG A 76 0.539 -9.397 0.737 1.00 52.22 H new ATOM 1113 N HIS A 77 7.427 -3.510 1.871 1.00 3.25 N ATOM 1114 CA HIS A 77 7.571 -2.229 2.554 1.00 51.43 C ATOM 1115 C HIS A 77 8.485 -1.294 1.767 1.00 15.41 C ATOM 1116 O HIS A 77 9.521 -1.711 1.251 1.00 61.24 O ATOM 1117 CB HIS A 77 8.126 -2.437 3.963 1.00 43.20 C ATOM 1118 CG HIS A 77 9.620 -2.360 4.035 1.00 23.33 C ATOM 1119 ND1 HIS A 77 10.434 -3.472 3.982 1.00 23.02 N ATOM 1120 CD2 HIS A 77 10.447 -1.296 4.156 1.00 45.45 C ATOM 1121 CE1 HIS A 77 11.697 -3.095 4.068 1.00 4.25 C ATOM 1122 NE2 HIS A 77 11.733 -1.779 4.174 1.00 52.40 N ATOM 0 H HIS A 77 8.022 -4.253 2.238 1.00 3.25 H new ATOM 0 HA HIS A 77 6.585 -1.770 2.625 1.00 51.43 H new ATOM 0 HB2 HIS A 77 7.699 -1.686 4.627 1.00 43.20 H new ATOM 0 HB3 HIS A 77 7.802 -3.410 4.332 1.00 43.20 H new ATOM 0 HD1 HIS A 77 10.111 -4.435 3.891 1.00 23.02 H new ATOM 0 HD2 HIS A 77 10.151 -0.260 4.226 1.00 45.45 H new ATOM 0 HE1 HIS A 77 12.555 -3.751 4.054 1.00 4.25 H new ATOM 1130 N VAL A 78 8.092 -0.026 1.679 1.00 24.43 N ATOM 1131 CA VAL A 78 8.876 0.968 0.956 1.00 71.11 C ATOM 1132 C VAL A 78 8.622 2.369 1.499 1.00 14.43 C ATOM 1133 O VAL A 78 8.382 3.307 0.738 1.00 2.25 O ATOM 1134 CB VAL A 78 8.556 0.947 -0.551 1.00 13.35 C ATOM 1135 CG1 VAL A 78 9.216 -0.248 -1.221 1.00 32.04 C ATOM 1136 CG2 VAL A 78 7.051 0.931 -0.775 1.00 2.12 C ATOM 0 H VAL A 78 7.236 0.336 2.099 1.00 24.43 H new ATOM 0 HA VAL A 78 9.925 0.710 1.101 1.00 71.11 H new ATOM 0 HB VAL A 78 8.958 1.854 -1.003 1.00 13.35 H new ATOM 0 HG11 VAL A 78 8.979 -0.246 -2.285 1.00 32.04 H new ATOM 0 HG12 VAL A 78 10.296 -0.188 -1.090 1.00 32.04 H new ATOM 0 HG13 VAL A 78 8.847 -1.168 -0.769 1.00 32.04 H new ATOM 0 HG21 VAL A 78 6.843 0.916 -1.845 1.00 2.12 H new ATOM 0 HG22 VAL A 78 6.623 0.043 -0.310 1.00 2.12 H new ATOM 0 HG23 VAL A 78 6.608 1.822 -0.331 1.00 2.12 H new ATOM 1146 N ARG A 79 8.676 2.505 2.820 1.00 34.33 N ATOM 1147 CA ARG A 79 8.450 3.792 3.466 1.00 3.23 C ATOM 1148 C ARG A 79 9.675 4.692 3.327 1.00 54.15 C ATOM 1149 O ARG A 79 10.791 4.231 3.086 1.00 34.25 O ATOM 1150 CB ARG A 79 8.117 3.593 4.946 1.00 73.01 C ATOM 1151 CG ARG A 79 6.633 3.399 5.215 1.00 4.21 C ATOM 1152 CD ARG A 79 6.242 1.931 5.148 1.00 2.22 C ATOM 1153 NE ARG A 79 5.121 1.704 4.241 1.00 52.45 N ATOM 1154 CZ ARG A 79 4.649 0.499 3.942 1.00 0.02 C ATOM 1155 NH1 ARG A 79 5.198 -0.583 4.477 1.00 3.42 N ATOM 1156 NH2 ARG A 79 3.625 0.374 3.107 1.00 22.15 N ATOM 0 H ARG A 79 8.874 1.739 3.464 1.00 34.33 H new ATOM 0 HA ARG A 79 7.607 4.275 2.972 1.00 3.23 H new ATOM 0 HB2 ARG A 79 8.662 2.726 5.319 1.00 73.01 H new ATOM 0 HB3 ARG A 79 8.470 4.457 5.509 1.00 73.01 H new ATOM 0 HG2 ARG A 79 6.385 3.798 6.199 1.00 4.21 H new ATOM 0 HG3 ARG A 79 6.053 3.965 4.486 1.00 4.21 H new ATOM 0 HD2 ARG A 79 7.099 1.342 4.820 1.00 2.22 H new ATOM 0 HD3 ARG A 79 5.978 1.580 6.146 1.00 2.22 H new ATOM 0 HE ARG A 79 4.675 2.516 3.813 1.00 52.45 H new ATOM 0 HH11 ARG A 79 5.985 -0.491 5.120 1.00 3.42 H new ATOM 0 HH12 ARG A 79 4.834 -1.507 4.246 1.00 3.42 H new ATOM 0 HH21 ARG A 79 3.199 1.204 2.694 1.00 22.15 H new ATOM 0 HH22 ARG A 79 3.264 -0.552 2.878 1.00 22.15 H new ATOM 1170 N PRO A 80 9.463 6.008 3.479 1.00 32.35 N ATOM 1171 CA PRO A 80 10.537 7.000 3.375 1.00 71.14 C ATOM 1172 C PRO A 80 11.514 6.922 4.543 1.00 61.14 C ATOM 1173 O PRO A 80 12.558 7.574 4.535 1.00 11.35 O ATOM 1174 CB PRO A 80 9.789 8.335 3.391 1.00 10.44 C ATOM 1175 CG PRO A 80 8.516 8.048 4.110 1.00 21.31 C ATOM 1176 CD PRO A 80 8.159 6.628 3.767 1.00 34.01 C ATOM 0 HA PRO A 80 11.147 6.848 2.485 1.00 71.14 H new ATOM 0 HB2 PRO A 80 10.366 9.106 3.901 1.00 10.44 H new ATOM 0 HB3 PRO A 80 9.600 8.695 2.380 1.00 10.44 H new ATOM 0 HG2 PRO A 80 8.639 8.171 5.186 1.00 21.31 H new ATOM 0 HG3 PRO A 80 7.729 8.735 3.799 1.00 21.31 H new ATOM 0 HD2 PRO A 80 7.651 6.131 4.593 1.00 34.01 H new ATOM 0 HD3 PRO A 80 7.492 6.578 2.907 1.00 34.01 H new ATOM 1184 N SER A 81 11.169 6.120 5.545 1.00 71.45 N ATOM 1185 CA SER A 81 12.015 5.959 6.721 1.00 13.15 C ATOM 1186 C SER A 81 11.354 5.040 7.744 1.00 31.30 C ATOM 1187 O SER A 81 10.567 5.485 8.579 1.00 42.43 O ATOM 1188 CB SER A 81 12.306 7.320 7.356 1.00 51.51 C ATOM 1189 OG SER A 81 13.594 7.787 6.994 1.00 23.42 O ATOM 0 H SER A 81 10.309 5.572 5.566 1.00 71.45 H new ATOM 0 HA SER A 81 12.954 5.505 6.403 1.00 13.15 H new ATOM 0 HB2 SER A 81 11.552 8.041 7.040 1.00 51.51 H new ATOM 0 HB3 SER A 81 12.236 7.241 8.441 1.00 51.51 H new ATOM 0 HG SER A 81 13.663 7.833 6.017 1.00 23.42 H new ATOM 1195 N ALA A 82 11.680 3.753 7.672 1.00 40.34 N ATOM 1196 CA ALA A 82 11.121 2.770 8.591 1.00 14.52 C ATOM 1197 C ALA A 82 12.224 2.007 9.316 1.00 73.52 C ATOM 1198 O ALA A 82 13.155 1.500 8.690 1.00 32.33 O ATOM 1199 CB ALA A 82 10.211 1.806 7.844 1.00 3.20 C ATOM 0 H ALA A 82 12.329 3.367 6.986 1.00 40.34 H new ATOM 0 HA ALA A 82 10.532 3.302 9.338 1.00 14.52 H new ATOM 0 HB1 ALA A 82 9.801 1.077 8.543 1.00 3.20 H new ATOM 0 HB2 ALA A 82 9.397 2.361 7.379 1.00 3.20 H new ATOM 0 HB3 ALA A 82 10.783 1.288 7.074 1.00 3.20 H new ATOM 1205 N SER A 83 12.113 1.928 10.638 1.00 13.40 N ATOM 1206 CA SER A 83 13.104 1.230 11.448 1.00 34.23 C ATOM 1207 C SER A 83 12.598 -0.152 11.852 1.00 5.15 C ATOM 1208 O SER A 83 11.782 -0.284 12.765 1.00 40.32 O ATOM 1209 CB SER A 83 13.441 2.047 12.697 1.00 53.43 C ATOM 1210 OG SER A 83 14.509 2.944 12.446 1.00 11.21 O ATOM 0 H SER A 83 11.346 2.339 11.171 1.00 13.40 H new ATOM 0 HA SER A 83 14.006 1.108 10.849 1.00 34.23 H new ATOM 0 HB2 SER A 83 12.562 2.605 13.019 1.00 53.43 H new ATOM 0 HB3 SER A 83 13.709 1.376 13.513 1.00 53.43 H new ATOM 0 HG SER A 83 14.704 3.456 13.259 1.00 11.21 H new ATOM 1216 N ILE A 84 13.090 -1.178 11.167 1.00 70.42 N ATOM 1217 CA ILE A 84 12.690 -2.550 11.454 1.00 31.23 C ATOM 1218 C ILE A 84 13.823 -3.326 12.117 1.00 1.24 C ATOM 1219 O ILE A 84 14.972 -3.293 11.676 1.00 21.42 O ATOM 1220 CB ILE A 84 12.256 -3.290 10.175 1.00 23.00 C ATOM 1221 CG1 ILE A 84 11.127 -2.529 9.477 1.00 4.42 C ATOM 1222 CG2 ILE A 84 11.820 -4.709 10.506 1.00 34.32 C ATOM 1223 CD1 ILE A 84 10.802 -3.060 8.099 1.00 33.41 C ATOM 0 H ILE A 84 13.766 -1.085 10.409 1.00 70.42 H new ATOM 0 HA ILE A 84 11.842 -2.495 12.137 1.00 31.23 H new ATOM 0 HB ILE A 84 13.107 -3.341 9.496 1.00 23.00 H new ATOM 0 HG12 ILE A 84 10.231 -2.576 10.096 1.00 4.42 H new ATOM 0 HG13 ILE A 84 11.404 -1.478 9.396 1.00 4.42 H new ATOM 0 HG21 ILE A 84 11.516 -5.219 9.592 1.00 34.32 H new ATOM 0 HG22 ILE A 84 12.650 -5.247 10.963 1.00 34.32 H new ATOM 0 HG23 ILE A 84 10.981 -4.679 11.201 1.00 34.32 H new ATOM 0 HD11 ILE A 84 9.993 -2.473 7.664 1.00 33.41 H new ATOM 0 HD12 ILE A 84 11.685 -2.988 7.464 1.00 33.41 H new ATOM 0 HD13 ILE A 84 10.494 -4.103 8.174 1.00 33.41 H new ATOM 1235 N PRO A 85 13.494 -4.042 13.202 1.00 31.34 N ATOM 1236 CA PRO A 85 14.470 -4.842 13.949 1.00 74.44 C ATOM 1237 C PRO A 85 14.939 -6.063 13.164 1.00 4.15 C ATOM 1238 O PRO A 85 14.177 -7.004 12.946 1.00 74.21 O ATOM 1239 CB PRO A 85 13.695 -5.274 15.196 1.00 34.10 C ATOM 1240 CG PRO A 85 12.264 -5.246 14.782 1.00 51.42 C ATOM 1241 CD PRO A 85 12.144 -4.127 13.784 1.00 32.01 C ATOM 0 HA PRO A 85 15.377 -4.278 14.168 1.00 74.44 H new ATOM 0 HB2 PRO A 85 13.993 -6.270 15.522 1.00 34.10 H new ATOM 0 HB3 PRO A 85 13.879 -4.597 16.030 1.00 34.10 H new ATOM 0 HG2 PRO A 85 11.967 -6.197 14.340 1.00 51.42 H new ATOM 0 HG3 PRO A 85 11.613 -5.076 15.639 1.00 51.42 H new ATOM 0 HD2 PRO A 85 11.392 -4.344 13.025 1.00 32.01 H new ATOM 0 HD3 PRO A 85 11.853 -3.192 14.262 1.00 32.01 H new ATOM 1249 N VAL A 86 16.200 -6.041 12.743 1.00 0.04 N ATOM 1250 CA VAL A 86 16.772 -7.147 11.985 1.00 40.23 C ATOM 1251 C VAL A 86 17.980 -7.739 12.702 1.00 41.40 C ATOM 1252 O VAL A 86 18.917 -7.023 13.058 1.00 54.03 O ATOM 1253 CB VAL A 86 17.195 -6.699 10.573 1.00 23.30 C ATOM 1254 CG1 VAL A 86 17.819 -7.858 9.810 1.00 74.12 C ATOM 1255 CG2 VAL A 86 16.005 -6.130 9.816 1.00 61.12 C ATOM 0 H VAL A 86 16.845 -5.269 12.914 1.00 0.04 H new ATOM 0 HA VAL A 86 15.996 -7.908 11.900 1.00 40.23 H new ATOM 0 HB VAL A 86 17.944 -5.913 10.669 1.00 23.30 H new ATOM 0 HG11 VAL A 86 18.112 -7.523 8.815 1.00 74.12 H new ATOM 0 HG12 VAL A 86 18.698 -8.215 10.346 1.00 74.12 H new ATOM 0 HG13 VAL A 86 17.095 -8.668 9.722 1.00 74.12 H new ATOM 0 HG21 VAL A 86 16.322 -5.819 8.821 1.00 61.12 H new ATOM 0 HG22 VAL A 86 15.231 -6.893 9.728 1.00 61.12 H new ATOM 0 HG23 VAL A 86 15.608 -5.270 10.356 1.00 61.12 H new ATOM 1265 N VAL A 87 17.953 -9.051 12.911 1.00 31.03 N ATOM 1266 CA VAL A 87 19.047 -9.741 13.585 1.00 52.40 C ATOM 1267 C VAL A 87 20.106 -10.197 12.588 1.00 53.13 C ATOM 1268 O VAL A 87 19.793 -10.836 11.583 1.00 63.11 O ATOM 1269 CB VAL A 87 18.539 -10.963 14.373 1.00 1.42 C ATOM 1270 CG1 VAL A 87 19.613 -11.469 15.323 1.00 24.33 C ATOM 1271 CG2 VAL A 87 17.266 -10.616 15.131 1.00 61.24 C ATOM 0 H VAL A 87 17.185 -9.658 12.623 1.00 31.03 H new ATOM 0 HA VAL A 87 19.490 -9.028 14.281 1.00 52.40 H new ATOM 0 HB VAL A 87 18.308 -11.760 13.666 1.00 1.42 H new ATOM 0 HG11 VAL A 87 19.236 -12.332 15.871 1.00 24.33 H new ATOM 0 HG12 VAL A 87 20.496 -11.758 14.753 1.00 24.33 H new ATOM 0 HG13 VAL A 87 19.878 -10.680 16.027 1.00 24.33 H new ATOM 0 HG21 VAL A 87 16.921 -11.491 15.682 1.00 61.24 H new ATOM 0 HG22 VAL A 87 17.468 -9.804 15.829 1.00 61.24 H new ATOM 0 HG23 VAL A 87 16.496 -10.305 14.425 1.00 61.24 H new ATOM 1281 N PHE A 88 21.361 -9.865 12.872 1.00 14.22 N ATOM 1282 CA PHE A 88 22.467 -10.240 12.000 1.00 63.11 C ATOM 1283 C PHE A 88 23.534 -11.009 12.774 1.00 11.35 C ATOM 1284 O PHE A 88 23.774 -10.742 13.952 1.00 62.10 O ATOM 1285 CB PHE A 88 23.084 -8.995 11.359 1.00 61.10 C ATOM 1286 CG PHE A 88 24.565 -9.107 11.136 1.00 62.23 C ATOM 1287 CD1 PHE A 88 25.065 -9.828 10.064 1.00 70.45 C ATOM 1288 CD2 PHE A 88 25.458 -8.492 11.999 1.00 53.45 C ATOM 1289 CE1 PHE A 88 26.427 -9.933 9.855 1.00 64.21 C ATOM 1290 CE2 PHE A 88 26.821 -8.592 11.795 1.00 71.52 C ATOM 1291 CZ PHE A 88 27.306 -9.315 10.722 1.00 24.25 C ATOM 0 H PHE A 88 21.637 -9.337 13.700 1.00 14.22 H new ATOM 0 HA PHE A 88 22.075 -10.888 11.216 1.00 63.11 H new ATOM 0 HB2 PHE A 88 22.594 -8.807 10.404 1.00 61.10 H new ATOM 0 HB3 PHE A 88 22.885 -8.132 11.995 1.00 61.10 H new ATOM 0 HD1 PHE A 88 24.382 -10.314 9.383 1.00 70.45 H new ATOM 0 HD2 PHE A 88 25.084 -7.928 12.841 1.00 53.45 H new ATOM 0 HE1 PHE A 88 26.803 -10.498 9.015 1.00 64.21 H new ATOM 0 HE2 PHE A 88 27.506 -8.106 12.473 1.00 71.52 H new ATOM 0 HZ PHE A 88 28.371 -9.397 10.562 1.00 24.25 H new ATOM 1301 N SER A 89 24.170 -11.964 12.104 1.00 20.24 N ATOM 1302 CA SER A 89 25.208 -12.775 12.730 1.00 70.20 C ATOM 1303 C SER A 89 26.439 -12.869 11.833 1.00 14.21 C ATOM 1304 O SER A 89 26.329 -12.856 10.607 1.00 70.41 O ATOM 1305 CB SER A 89 24.676 -14.177 13.033 1.00 70.31 C ATOM 1306 OG SER A 89 24.711 -14.447 14.424 1.00 44.33 O ATOM 0 H SER A 89 23.985 -12.195 11.128 1.00 20.24 H new ATOM 0 HA SER A 89 25.496 -12.294 13.664 1.00 70.20 H new ATOM 0 HB2 SER A 89 23.653 -14.268 12.667 1.00 70.31 H new ATOM 0 HB3 SER A 89 25.272 -14.918 12.501 1.00 70.31 H new ATOM 0 HG SER A 89 23.796 -14.517 14.767 1.00 44.33 H new ATOM 1312 N ARG A 90 27.610 -12.962 12.454 1.00 31.22 N ATOM 1313 CA ARG A 90 28.862 -13.057 11.713 1.00 0.44 C ATOM 1314 C ARG A 90 29.611 -14.336 12.073 1.00 62.52 C ATOM 1315 O ARG A 90 30.686 -14.291 12.672 1.00 34.21 O ATOM 1316 CB ARG A 90 29.743 -11.839 12.002 1.00 72.43 C ATOM 1317 CG ARG A 90 30.706 -11.504 10.875 1.00 53.14 C ATOM 1318 CD ARG A 90 31.299 -10.114 11.044 1.00 54.22 C ATOM 1319 NE ARG A 90 32.010 -9.673 9.847 1.00 1.21 N ATOM 1320 CZ ARG A 90 32.614 -8.494 9.743 1.00 32.15 C ATOM 1321 NH1 ARG A 90 32.593 -7.643 10.760 1.00 75.01 N ATOM 1322 NH2 ARG A 90 33.241 -8.165 8.621 1.00 11.14 N ATOM 0 H ARG A 90 27.718 -12.974 13.468 1.00 31.22 H new ATOM 0 HA ARG A 90 28.625 -13.082 10.649 1.00 0.44 H new ATOM 0 HB2 ARG A 90 29.105 -10.976 12.192 1.00 72.43 H new ATOM 0 HB3 ARG A 90 30.313 -12.021 12.913 1.00 72.43 H new ATOM 0 HG2 ARG A 90 31.508 -12.242 10.848 1.00 53.14 H new ATOM 0 HG3 ARG A 90 30.185 -11.565 9.920 1.00 53.14 H new ATOM 0 HD2 ARG A 90 30.503 -9.406 11.274 1.00 54.22 H new ATOM 0 HD3 ARG A 90 31.983 -10.112 11.893 1.00 54.22 H new ATOM 0 HE ARG A 90 32.045 -10.305 9.047 1.00 1.21 H new ATOM 0 HH11 ARG A 90 32.113 -7.893 11.624 1.00 75.01 H new ATOM 0 HH12 ARG A 90 33.057 -6.739 10.678 1.00 75.01 H new ATOM 0 HH21 ARG A 90 33.260 -8.817 7.837 1.00 11.14 H new ATOM 0 HH22 ARG A 90 33.704 -7.260 8.542 1.00 11.14 H new ATOM 1336 N ASP A 91 29.036 -15.476 11.703 1.00 4.42 N ATOM 1337 CA ASP A 91 29.650 -16.768 11.986 1.00 74.31 C ATOM 1338 C ASP A 91 29.902 -16.935 13.481 1.00 2.51 C ATOM 1339 O ASP A 91 31.048 -17.012 13.922 1.00 31.35 O ATOM 1340 CB ASP A 91 30.963 -16.913 11.215 1.00 75.41 C ATOM 1341 CG ASP A 91 30.932 -16.198 9.879 1.00 55.32 C ATOM 1342 OD1 ASP A 91 30.177 -16.639 8.987 1.00 13.23 O ATOM 1343 OD2 ASP A 91 31.663 -15.197 9.724 1.00 12.13 O ATOM 0 H ASP A 91 28.146 -15.531 11.207 1.00 4.42 H new ATOM 0 HA ASP A 91 28.960 -17.548 11.663 1.00 74.31 H new ATOM 0 HB2 ASP A 91 31.780 -16.516 11.817 1.00 75.41 H new ATOM 0 HB3 ASP A 91 31.171 -17.971 11.053 1.00 75.41 H new ATOM 1348 N GLY A 92 28.823 -16.987 14.256 1.00 22.24 N ATOM 1349 CA GLY A 92 28.949 -17.142 15.694 1.00 65.53 C ATOM 1350 C GLY A 92 28.781 -15.831 16.436 1.00 61.44 C ATOM 1351 O GLY A 92 28.414 -15.817 17.610 1.00 31.05 O ATOM 0 H GLY A 92 27.864 -16.925 13.914 1.00 22.24 H new ATOM 0 HA2 GLY A 92 28.202 -17.853 16.046 1.00 65.53 H new ATOM 0 HA3 GLY A 92 29.926 -17.565 15.926 1.00 65.53 H new ATOM 1355 N VAL A 93 29.052 -14.726 15.749 1.00 11.30 N ATOM 1356 CA VAL A 93 28.929 -13.403 16.350 1.00 30.13 C ATOM 1357 C VAL A 93 27.466 -13.012 16.524 1.00 33.41 C ATOM 1358 O VAL A 93 26.643 -13.234 15.636 1.00 73.51 O ATOM 1359 CB VAL A 93 29.637 -12.332 15.500 1.00 64.01 C ATOM 1360 CG1 VAL A 93 29.484 -10.958 16.135 1.00 73.33 C ATOM 1361 CG2 VAL A 93 31.106 -12.683 15.318 1.00 43.24 C ATOM 0 H VAL A 93 29.358 -14.721 14.776 1.00 11.30 H new ATOM 0 HA VAL A 93 29.407 -13.455 17.328 1.00 30.13 H new ATOM 0 HB VAL A 93 29.168 -12.305 14.516 1.00 64.01 H new ATOM 0 HG11 VAL A 93 29.991 -10.214 15.520 1.00 73.33 H new ATOM 0 HG12 VAL A 93 28.426 -10.707 16.209 1.00 73.33 H new ATOM 0 HG13 VAL A 93 29.926 -10.967 17.132 1.00 73.33 H new ATOM 0 HG21 VAL A 93 31.591 -11.916 14.715 1.00 43.24 H new ATOM 0 HG22 VAL A 93 31.590 -12.739 16.293 1.00 43.24 H new ATOM 0 HG23 VAL A 93 31.190 -13.647 14.816 1.00 43.24 H new ATOM 1371 N VAL A 94 27.148 -12.428 17.675 1.00 74.00 N ATOM 1372 CA VAL A 94 25.783 -12.004 17.966 1.00 62.13 C ATOM 1373 C VAL A 94 25.693 -10.487 18.085 1.00 53.12 C ATOM 1374 O VAL A 94 26.240 -9.894 19.014 1.00 50.53 O ATOM 1375 CB VAL A 94 25.262 -12.642 19.267 1.00 24.22 C ATOM 1376 CG1 VAL A 94 24.182 -11.773 19.893 1.00 23.22 C ATOM 1377 CG2 VAL A 94 24.741 -14.046 19.000 1.00 14.01 C ATOM 0 H VAL A 94 27.817 -12.238 18.421 1.00 74.00 H new ATOM 0 HA VAL A 94 25.164 -12.338 17.134 1.00 62.13 H new ATOM 0 HB VAL A 94 26.090 -12.715 19.973 1.00 24.22 H new ATOM 0 HG11 VAL A 94 23.826 -12.240 20.811 1.00 23.22 H new ATOM 0 HG12 VAL A 94 24.593 -10.790 20.122 1.00 23.22 H new ATOM 0 HG13 VAL A 94 23.352 -11.665 19.195 1.00 23.22 H new ATOM 0 HG21 VAL A 94 24.377 -14.482 19.930 1.00 14.01 H new ATOM 0 HG22 VAL A 94 23.926 -14.000 18.277 1.00 14.01 H new ATOM 0 HG23 VAL A 94 25.546 -14.663 18.601 1.00 14.01 H new ATOM 1387 N MET A 95 24.998 -9.865 17.138 1.00 14.01 N ATOM 1388 CA MET A 95 24.834 -8.416 17.138 1.00 11.12 C ATOM 1389 C MET A 95 23.486 -8.021 16.544 1.00 74.11 C ATOM 1390 O MET A 95 22.922 -8.746 15.724 1.00 41.33 O ATOM 1391 CB MET A 95 25.965 -7.753 16.350 1.00 64.30 C ATOM 1392 CG MET A 95 26.024 -6.244 16.523 1.00 22.34 C ATOM 1393 SD MET A 95 26.422 -5.754 18.213 1.00 74.25 S ATOM 1394 CE MET A 95 28.154 -5.333 18.044 1.00 24.31 C ATOM 0 H MET A 95 24.540 -10.342 16.361 1.00 14.01 H new ATOM 0 HA MET A 95 24.871 -8.072 18.172 1.00 11.12 H new ATOM 0 HB2 MET A 95 26.916 -8.184 16.663 1.00 64.30 H new ATOM 0 HB3 MET A 95 25.844 -7.985 15.292 1.00 64.30 H new ATOM 0 HG2 MET A 95 26.771 -5.833 15.844 1.00 22.34 H new ATOM 0 HG3 MET A 95 25.064 -5.812 16.240 1.00 22.34 H new ATOM 0 HE1 MET A 95 28.546 -5.010 19.008 1.00 24.31 H new ATOM 0 HE2 MET A 95 28.709 -6.206 17.701 1.00 24.31 H new ATOM 0 HE3 MET A 95 28.263 -4.526 17.319 1.00 24.31 H new ATOM 1404 N SER A 96 22.974 -6.868 16.963 1.00 34.43 N ATOM 1405 CA SER A 96 21.689 -6.380 16.475 1.00 3.23 C ATOM 1406 C SER A 96 21.858 -5.058 15.731 1.00 31.54 C ATOM 1407 O SER A 96 22.579 -4.168 16.181 1.00 63.45 O ATOM 1408 CB SER A 96 20.712 -6.202 17.639 1.00 51.02 C ATOM 1409 OG SER A 96 21.237 -5.320 18.616 1.00 52.45 O ATOM 0 H SER A 96 23.429 -6.255 17.639 1.00 34.43 H new ATOM 0 HA SER A 96 21.286 -7.119 15.782 1.00 3.23 H new ATOM 0 HB2 SER A 96 19.764 -5.814 17.266 1.00 51.02 H new ATOM 0 HB3 SER A 96 20.503 -7.170 18.094 1.00 51.02 H new ATOM 0 HG SER A 96 20.593 -5.222 19.348 1.00 52.45 H new ATOM 1415 N ALA A 97 21.186 -4.939 14.591 1.00 65.13 N ATOM 1416 CA ALA A 97 21.259 -3.727 13.785 1.00 44.14 C ATOM 1417 C ALA A 97 19.898 -3.378 13.194 1.00 52.15 C ATOM 1418 O ALA A 97 19.154 -4.257 12.758 1.00 60.44 O ATOM 1419 CB ALA A 97 22.291 -3.890 12.678 1.00 21.22 C ATOM 0 H ALA A 97 20.585 -5.667 14.205 1.00 65.13 H new ATOM 0 HA ALA A 97 21.565 -2.907 14.434 1.00 44.14 H new ATOM 0 HB1 ALA A 97 22.335 -2.977 12.084 1.00 21.22 H new ATOM 0 HB2 ALA A 97 23.269 -4.084 13.118 1.00 21.22 H new ATOM 0 HB3 ALA A 97 22.009 -4.726 12.038 1.00 21.22 H new ATOM 1425 N THR A 98 19.576 -2.088 13.182 1.00 34.01 N ATOM 1426 CA THR A 98 18.303 -1.623 12.646 1.00 15.15 C ATOM 1427 C THR A 98 18.463 -1.098 11.224 1.00 3.14 C ATOM 1428 O THR A 98 19.290 -0.223 10.966 1.00 64.23 O ATOM 1429 CB THR A 98 17.695 -0.514 13.526 1.00 52.45 C ATOM 1430 OG1 THR A 98 17.656 -0.938 14.893 1.00 40.14 O ATOM 1431 CG2 THR A 98 16.291 -0.161 13.059 1.00 75.45 C ATOM 0 H THR A 98 20.180 -1.347 13.538 1.00 34.01 H new ATOM 0 HA THR A 98 17.631 -2.481 12.639 1.00 15.15 H new ATOM 0 HB THR A 98 18.323 0.372 13.439 1.00 52.45 H new ATOM 0 HG1 THR A 98 17.270 -0.227 15.445 1.00 40.14 H new ATOM 0 HG21 THR A 98 15.882 0.624 13.695 1.00 75.45 H new ATOM 0 HG22 THR A 98 16.328 0.190 12.028 1.00 75.45 H new ATOM 0 HG23 THR A 98 15.655 -1.044 13.119 1.00 75.45 H new ATOM 1439 N ILE A 99 17.668 -1.636 10.306 1.00 33.45 N ATOM 1440 CA ILE A 99 17.721 -1.220 8.911 1.00 43.13 C ATOM 1441 C ILE A 99 16.743 -0.082 8.638 1.00 20.34 C ATOM 1442 O ILE A 99 15.552 -0.190 8.930 1.00 73.44 O ATOM 1443 CB ILE A 99 17.407 -2.391 7.961 1.00 35.03 C ATOM 1444 CG1 ILE A 99 16.011 -2.949 8.250 1.00 65.30 C ATOM 1445 CG2 ILE A 99 18.458 -3.482 8.099 1.00 43.44 C ATOM 1446 CD1 ILE A 99 14.983 -2.577 7.205 1.00 45.03 C ATOM 0 H ILE A 99 16.979 -2.362 10.504 1.00 33.45 H new ATOM 0 HA ILE A 99 18.738 -0.874 8.724 1.00 43.13 H new ATOM 0 HB ILE A 99 17.427 -2.023 6.935 1.00 35.03 H new ATOM 0 HG12 ILE A 99 16.070 -4.035 8.319 1.00 65.30 H new ATOM 0 HG13 ILE A 99 15.677 -2.585 9.222 1.00 65.30 H new ATOM 0 HG21 ILE A 99 18.222 -4.302 7.421 1.00 43.44 H new ATOM 0 HG22 ILE A 99 19.439 -3.076 7.850 1.00 43.44 H new ATOM 0 HG23 ILE A 99 18.468 -3.850 9.125 1.00 43.44 H new ATOM 0 HD11 ILE A 99 14.018 -3.006 7.475 1.00 45.03 H new ATOM 0 HD12 ILE A 99 14.895 -1.492 7.151 1.00 45.03 H new ATOM 0 HD13 ILE A 99 15.294 -2.964 6.235 1.00 45.03 H new ATOM 1458 N VAL A 100 17.254 1.008 8.076 1.00 11.51 N ATOM 1459 CA VAL A 100 16.425 2.166 7.761 1.00 21.11 C ATOM 1460 C VAL A 100 16.189 2.280 6.259 1.00 13.24 C ATOM 1461 O VAL A 100 17.036 2.785 5.523 1.00 4.11 O ATOM 1462 CB VAL A 100 17.067 3.471 8.269 1.00 34.34 C ATOM 1463 CG1 VAL A 100 16.916 3.587 9.779 1.00 40.35 C ATOM 1464 CG2 VAL A 100 18.532 3.536 7.865 1.00 54.41 C ATOM 0 H VAL A 100 18.238 1.114 7.829 1.00 11.51 H new ATOM 0 HA VAL A 100 15.470 2.019 8.266 1.00 21.11 H new ATOM 0 HB VAL A 100 16.550 4.313 7.810 1.00 34.34 H new ATOM 0 HG11 VAL A 100 17.375 4.515 10.120 1.00 40.35 H new ATOM 0 HG12 VAL A 100 15.858 3.589 10.040 1.00 40.35 H new ATOM 0 HG13 VAL A 100 17.407 2.741 10.260 1.00 40.35 H new ATOM 0 HG21 VAL A 100 18.970 4.464 8.232 1.00 54.41 H new ATOM 0 HG22 VAL A 100 19.066 2.688 8.295 1.00 54.41 H new ATOM 0 HG23 VAL A 100 18.612 3.502 6.778 1.00 54.41 H new ATOM 1474 N VAL A 101 15.030 1.808 5.811 1.00 70.04 N ATOM 1475 CA VAL A 101 14.680 1.858 4.396 1.00 2.40 C ATOM 1476 C VAL A 101 13.897 3.125 4.068 1.00 24.23 C ATOM 1477 O VAL A 101 12.755 3.289 4.494 1.00 72.31 O ATOM 1478 CB VAL A 101 13.848 0.631 3.980 1.00 53.24 C ATOM 1479 CG1 VAL A 101 13.452 0.726 2.514 1.00 42.40 C ATOM 1480 CG2 VAL A 101 14.619 -0.652 4.250 1.00 11.10 C ATOM 0 H VAL A 101 14.318 1.387 6.407 1.00 70.04 H new ATOM 0 HA VAL A 101 15.616 1.858 3.838 1.00 2.40 H new ATOM 0 HB VAL A 101 12.936 0.613 4.577 1.00 53.24 H new ATOM 0 HG11 VAL A 101 12.865 -0.150 2.238 1.00 42.40 H new ATOM 0 HG12 VAL A 101 12.858 1.626 2.355 1.00 42.40 H new ATOM 0 HG13 VAL A 101 14.349 0.770 1.897 1.00 42.40 H new ATOM 0 HG21 VAL A 101 14.016 -1.509 3.950 1.00 11.10 H new ATOM 0 HG22 VAL A 101 15.548 -0.645 3.680 1.00 11.10 H new ATOM 0 HG23 VAL A 101 14.846 -0.723 5.314 1.00 11.10 H new ATOM 1490 N GLY A 102 14.521 4.019 3.307 1.00 0.44 N ATOM 1491 CA GLY A 102 13.868 5.260 2.935 1.00 54.45 C ATOM 1492 C GLY A 102 13.863 5.486 1.436 1.00 71.44 C ATOM 1493 O GLY A 102 14.738 6.166 0.902 1.00 61.15 O ATOM 0 H GLY A 102 15.467 3.906 2.942 1.00 0.44 H new ATOM 0 HA2 GLY A 102 12.841 5.251 3.301 1.00 54.45 H new ATOM 0 HA3 GLY A 102 14.373 6.093 3.423 1.00 54.45 H new ATOM 1497 N GLU A 103 12.875 4.911 0.755 1.00 5.44 N ATOM 1498 CA GLU A 103 12.763 5.052 -0.692 1.00 22.44 C ATOM 1499 C GLU A 103 12.826 6.520 -1.103 1.00 23.15 C ATOM 1500 O GLU A 103 12.748 7.416 -0.261 1.00 35.10 O ATOM 1501 CB GLU A 103 11.457 4.428 -1.187 1.00 33.21 C ATOM 1502 CG GLU A 103 11.542 2.926 -1.401 1.00 20.13 C ATOM 1503 CD GLU A 103 11.793 2.167 -0.112 1.00 61.43 C ATOM 1504 OE1 GLU A 103 11.348 2.641 0.953 1.00 13.22 O ATOM 1505 OE2 GLU A 103 12.435 1.097 -0.170 1.00 62.14 O ATOM 0 H GLU A 103 12.142 4.344 1.182 1.00 5.44 H new ATOM 0 HA GLU A 103 13.604 4.529 -1.148 1.00 22.44 H new ATOM 0 HB2 GLU A 103 10.667 4.640 -0.466 1.00 33.21 H new ATOM 0 HB3 GLU A 103 11.169 4.904 -2.124 1.00 33.21 H new ATOM 0 HG2 GLU A 103 10.614 2.574 -1.851 1.00 20.13 H new ATOM 0 HG3 GLU A 103 12.342 2.708 -2.108 1.00 20.13 H new ATOM 1512 N LEU A 104 12.969 6.759 -2.401 1.00 65.24 N ATOM 1513 CA LEU A 104 13.044 8.118 -2.926 1.00 10.24 C ATOM 1514 C LEU A 104 14.242 8.861 -2.344 1.00 4.20 C ATOM 1515 O LEU A 104 14.180 9.385 -1.232 1.00 74.42 O ATOM 1516 CB LEU A 104 11.755 8.879 -2.610 1.00 2.15 C ATOM 1517 CG LEU A 104 10.456 8.224 -3.081 1.00 43.42 C ATOM 1518 CD1 LEU A 104 9.746 7.548 -1.919 1.00 4.55 C ATOM 1519 CD2 LEU A 104 9.548 9.254 -3.737 1.00 71.14 C ATOM 0 H LEU A 104 13.035 6.029 -3.110 1.00 65.24 H new ATOM 0 HA LEU A 104 13.168 8.058 -4.007 1.00 10.24 H new ATOM 0 HB2 LEU A 104 11.696 9.021 -1.531 1.00 2.15 H new ATOM 0 HB3 LEU A 104 11.822 9.870 -3.059 1.00 2.15 H new ATOM 0 HG LEU A 104 10.703 7.462 -3.820 1.00 43.42 H new ATOM 0 HD11 LEU A 104 8.824 7.088 -2.274 1.00 4.55 H new ATOM 0 HD12 LEU A 104 10.394 6.782 -1.493 1.00 4.55 H new ATOM 0 HD13 LEU A 104 9.511 8.289 -1.155 1.00 4.55 H new ATOM 0 HD21 LEU A 104 8.628 8.771 -4.066 1.00 71.14 H new ATOM 0 HD22 LEU A 104 9.309 10.038 -3.019 1.00 71.14 H new ATOM 0 HD23 LEU A 104 10.056 9.692 -4.597 1.00 71.14 H new ATOM 1531 N GLU A 105 15.332 8.904 -3.105 1.00 13.32 N ATOM 1532 CA GLU A 105 16.544 9.585 -2.664 1.00 73.04 C ATOM 1533 C GLU A 105 16.258 11.048 -2.340 1.00 4.45 C ATOM 1534 O GLU A 105 15.337 11.648 -2.891 1.00 55.32 O ATOM 1535 CB GLU A 105 17.627 9.492 -3.741 1.00 23.03 C ATOM 1536 CG GLU A 105 17.245 10.163 -5.049 1.00 74.12 C ATOM 1537 CD GLU A 105 17.463 9.265 -6.251 1.00 62.32 C ATOM 1538 OE1 GLU A 105 17.103 8.071 -6.173 1.00 12.54 O ATOM 1539 OE2 GLU A 105 17.994 9.754 -7.270 1.00 4.34 O ATOM 0 H GLU A 105 15.400 8.476 -4.028 1.00 13.32 H new ATOM 0 HA GLU A 105 16.899 9.093 -1.758 1.00 73.04 H new ATOM 0 HB2 GLU A 105 18.543 9.947 -3.363 1.00 23.03 H new ATOM 0 HB3 GLU A 105 17.848 8.442 -3.932 1.00 23.03 H new ATOM 0 HG2 GLU A 105 16.197 10.461 -5.008 1.00 74.12 H new ATOM 0 HG3 GLU A 105 17.831 11.074 -5.170 1.00 74.12 H new TER 1546 GLU A 105