USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.046 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0962 K(o=-0.096,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.333 1.248 -6.880 1.00 63.12 N ATOM 2 CA GLY A 1 -26.612 2.441 -6.098 1.00 72.04 C ATOM 3 C GLY A 1 -25.664 2.546 -4.902 1.00 42.41 C ATOM 4 O GLY A 1 -24.688 3.295 -4.942 1.00 52.11 O ATOM 0 H1 GLY A 1 -26.989 1.200 -7.685 1.00 63.12 H new ATOM 0 H2 GLY A 1 -25.355 1.284 -7.232 1.00 63.12 H new ATOM 0 H3 GLY A 1 -26.455 0.405 -6.283 1.00 63.12 H new ATOM 0 HA2 GLY A 1 -26.509 3.325 -6.727 1.00 72.04 H new ATOM 0 HA3 GLY A 1 -27.644 2.418 -5.748 1.00 72.04 H new ATOM 8 N ILE A 2 -25.983 1.785 -3.865 1.00 13.33 N ATOM 9 CA ILE A 2 -25.172 1.783 -2.660 1.00 73.52 C ATOM 10 C ILE A 2 -24.135 0.661 -2.749 1.00 32.44 C ATOM 11 O ILE A 2 -23.319 0.492 -1.845 1.00 72.23 O ATOM 12 CB ILE A 2 -26.060 1.701 -1.416 1.00 33.45 C ATOM 13 CG1 ILE A 2 -26.662 0.303 -1.265 1.00 64.34 C ATOM 14 CG2 ILE A 2 -27.136 2.790 -1.438 1.00 53.42 C ATOM 15 CD1 ILE A 2 -28.171 0.325 -1.517 1.00 23.04 C ATOM 0 H ILE A 2 -26.793 1.165 -3.835 1.00 13.33 H new ATOM 0 HA ILE A 2 -24.622 2.720 -2.571 1.00 73.52 H new ATOM 0 HB ILE A 2 -25.438 1.881 -0.539 1.00 33.45 H new ATOM 0 HG12 ILE A 2 -26.183 -0.381 -1.966 1.00 64.34 H new ATOM 0 HG13 ILE A 2 -26.463 -0.076 -0.263 1.00 64.34 H new ATOM 0 HG21 ILE A 2 -27.753 2.710 -0.543 1.00 53.42 H new ATOM 0 HG22 ILE A 2 -26.661 3.771 -1.464 1.00 53.42 H new ATOM 0 HG23 ILE A 2 -27.761 2.666 -2.322 1.00 53.42 H new ATOM 0 HD11 ILE A 2 -28.574 -0.682 -1.403 1.00 23.04 H new ATOM 0 HD12 ILE A 2 -28.650 0.991 -0.799 1.00 23.04 H new ATOM 0 HD13 ILE A 2 -28.366 0.681 -2.528 1.00 23.04 H new ATOM 27 N GLY A 3 -24.200 -0.075 -3.849 1.00 33.52 N ATOM 28 CA GLY A 3 -23.278 -1.175 -4.069 1.00 15.51 C ATOM 29 C GLY A 3 -21.888 -0.658 -4.446 1.00 4.51 C ATOM 30 O GLY A 3 -20.942 -1.436 -4.560 1.00 30.41 O ATOM 0 H GLY A 3 -24.878 0.070 -4.598 1.00 33.52 H new ATOM 0 HA2 GLY A 3 -23.211 -1.784 -3.168 1.00 15.51 H new ATOM 0 HA3 GLY A 3 -23.658 -1.819 -4.862 1.00 15.51 H new ATOM 34 N ALA A 4 -21.808 0.652 -4.628 1.00 43.32 N ATOM 35 CA ALA A 4 -20.549 1.283 -4.988 1.00 72.24 C ATOM 36 C ALA A 4 -19.760 1.600 -3.717 1.00 43.44 C ATOM 37 O ALA A 4 -18.530 1.556 -3.718 1.00 24.23 O ATOM 38 CB ALA A 4 -20.825 2.530 -5.829 1.00 23.54 C ATOM 0 H ALA A 4 -22.595 1.294 -4.533 1.00 43.32 H new ATOM 0 HA ALA A 4 -19.942 0.610 -5.593 1.00 72.24 H new ATOM 0 HB1 ALA A 4 -19.881 3.003 -6.099 1.00 23.54 H new ATOM 0 HB2 ALA A 4 -21.361 2.247 -6.735 1.00 23.54 H new ATOM 0 HB3 ALA A 4 -21.430 3.230 -5.253 1.00 23.54 H new ATOM 44 N LEU A 5 -20.499 1.911 -2.662 1.00 10.22 N ATOM 45 CA LEU A 5 -19.883 2.236 -1.386 1.00 73.13 C ATOM 46 C LEU A 5 -19.036 1.050 -0.918 1.00 61.20 C ATOM 47 O LEU A 5 -17.950 1.236 -0.370 1.00 50.23 O ATOM 48 CB LEU A 5 -20.944 2.671 -0.374 1.00 61.04 C ATOM 49 CG LEU A 5 -21.724 3.940 -0.724 1.00 63.35 C ATOM 50 CD1 LEU A 5 -22.968 4.079 0.157 1.00 12.44 C ATOM 51 CD2 LEU A 5 -20.824 5.175 -0.647 1.00 22.12 C ATOM 0 H LEU A 5 -21.518 1.945 -2.664 1.00 10.22 H new ATOM 0 HA LEU A 5 -19.210 3.087 -1.493 1.00 73.13 H new ATOM 0 HB2 LEU A 5 -21.655 1.854 -0.249 1.00 61.04 H new ATOM 0 HB3 LEU A 5 -20.458 2.821 0.590 1.00 61.04 H new ATOM 0 HG LEU A 5 -22.068 3.857 -1.755 1.00 63.35 H new ATOM 0 HD11 LEU A 5 -23.505 4.989 -0.112 1.00 12.44 H new ATOM 0 HD12 LEU A 5 -23.618 3.217 0.007 1.00 12.44 H new ATOM 0 HD13 LEU A 5 -22.669 4.130 1.204 1.00 12.44 H new ATOM 0 HD21 LEU A 5 -21.403 6.063 -0.900 1.00 22.12 H new ATOM 0 HD22 LEU A 5 -20.429 5.275 0.364 1.00 22.12 H new ATOM 0 HD23 LEU A 5 -19.998 5.068 -1.350 1.00 22.12 H new ATOM 63 N PHE A 6 -19.565 -0.142 -1.149 1.00 54.13 N ATOM 64 CA PHE A 6 -18.871 -1.358 -0.758 1.00 50.42 C ATOM 65 C PHE A 6 -17.534 -1.487 -1.491 1.00 22.14 C ATOM 66 O PHE A 6 -16.539 -1.911 -0.905 1.00 72.40 O ATOM 67 CB PHE A 6 -19.770 -2.532 -1.152 1.00 43.14 C ATOM 68 CG PHE A 6 -19.019 -3.849 -1.355 1.00 40.40 C ATOM 69 CD1 PHE A 6 -18.120 -4.271 -0.425 1.00 2.22 C ATOM 70 CD2 PHE A 6 -19.249 -4.599 -2.466 1.00 34.32 C ATOM 71 CE1 PHE A 6 -17.423 -5.493 -0.614 1.00 14.10 C ATOM 72 CE2 PHE A 6 -18.552 -5.821 -2.656 1.00 60.50 C ATOM 73 CZ PHE A 6 -17.654 -6.243 -1.726 1.00 2.32 C ATOM 0 H PHE A 6 -20.466 -0.292 -1.602 1.00 54.13 H new ATOM 0 HA PHE A 6 -18.667 -1.342 0.313 1.00 50.42 H new ATOM 0 HB2 PHE A 6 -20.527 -2.672 -0.380 1.00 43.14 H new ATOM 0 HB3 PHE A 6 -20.297 -2.280 -2.072 1.00 43.14 H new ATOM 0 HD1 PHE A 6 -17.937 -3.676 0.457 1.00 2.22 H new ATOM 0 HD2 PHE A 6 -19.963 -4.265 -3.204 1.00 34.32 H new ATOM 0 HE1 PHE A 6 -16.709 -5.828 0.124 1.00 14.10 H new ATOM 0 HE2 PHE A 6 -18.735 -6.415 -3.539 1.00 60.50 H new ATOM 0 HZ PHE A 6 -17.124 -7.173 -1.870 1.00 2.32 H new ATOM 83 N LEU A 7 -17.554 -1.111 -2.761 1.00 72.14 N ATOM 84 CA LEU A 7 -16.356 -1.180 -3.581 1.00 5.31 C ATOM 85 C LEU A 7 -15.338 -0.155 -3.074 1.00 71.34 C ATOM 86 O LEU A 7 -14.135 -0.411 -3.086 1.00 11.20 O ATOM 87 CB LEU A 7 -16.708 -1.016 -5.060 1.00 20.30 C ATOM 88 CG LEU A 7 -15.601 -1.370 -6.057 1.00 24.31 C ATOM 89 CD1 LEU A 7 -15.317 -2.873 -6.049 1.00 64.41 C ATOM 90 CD2 LEU A 7 -15.941 -0.858 -7.458 1.00 2.21 C ATOM 0 H LEU A 7 -18.381 -0.758 -3.243 1.00 72.14 H new ATOM 0 HA LEU A 7 -15.892 -2.162 -3.495 1.00 5.31 H new ATOM 0 HB2 LEU A 7 -17.577 -1.637 -5.277 1.00 20.30 H new ATOM 0 HB3 LEU A 7 -17.005 0.019 -5.230 1.00 20.30 H new ATOM 0 HG LEU A 7 -14.686 -0.868 -5.744 1.00 24.31 H new ATOM 0 HD11 LEU A 7 -14.527 -3.098 -6.766 1.00 64.41 H new ATOM 0 HD12 LEU A 7 -15.000 -3.178 -5.052 1.00 64.41 H new ATOM 0 HD13 LEU A 7 -16.221 -3.416 -6.324 1.00 64.41 H new ATOM 0 HD21 LEU A 7 -15.139 -1.123 -8.147 1.00 2.21 H new ATOM 0 HD22 LEU A 7 -16.873 -1.312 -7.795 1.00 2.21 H new ATOM 0 HD23 LEU A 7 -16.054 0.226 -7.432 1.00 2.21 H new ATOM 102 N GLY A 8 -15.858 0.985 -2.641 1.00 72.45 N ATOM 103 CA GLY A 8 -15.010 2.048 -2.131 1.00 51.21 C ATOM 104 C GLY A 8 -14.307 1.619 -0.842 1.00 5.11 C ATOM 105 O GLY A 8 -13.222 2.106 -0.530 1.00 12.01 O ATOM 0 H GLY A 8 -16.856 1.195 -2.633 1.00 72.45 H new ATOM 0 HA2 GLY A 8 -14.267 2.317 -2.882 1.00 51.21 H new ATOM 0 HA3 GLY A 8 -15.610 2.938 -1.943 1.00 51.21 H new ATOM 109 N PHE A 9 -14.955 0.711 -0.126 1.00 11.03 N ATOM 110 CA PHE A 9 -14.406 0.212 1.122 1.00 64.54 C ATOM 111 C PHE A 9 -13.071 -0.499 0.889 1.00 61.33 C ATOM 112 O PHE A 9 -12.077 -0.191 1.544 1.00 11.41 O ATOM 113 CB PHE A 9 -15.414 -0.794 1.684 1.00 20.15 C ATOM 114 CG PHE A 9 -15.178 -1.159 3.151 1.00 22.25 C ATOM 115 CD1 PHE A 9 -14.117 -0.634 3.820 1.00 1.33 C ATOM 116 CD2 PHE A 9 -16.029 -2.007 3.786 1.00 24.44 C ATOM 117 CE1 PHE A 9 -13.898 -0.972 5.181 1.00 4.13 C ATOM 118 CE2 PHE A 9 -15.812 -2.346 5.148 1.00 13.43 C ATOM 119 CZ PHE A 9 -14.750 -1.821 5.817 1.00 34.12 C ATOM 0 H PHE A 9 -15.855 0.309 -0.387 1.00 11.03 H new ATOM 0 HA PHE A 9 -14.231 1.040 1.809 1.00 64.54 H new ATOM 0 HB2 PHE A 9 -16.418 -0.383 1.580 1.00 20.15 H new ATOM 0 HB3 PHE A 9 -15.377 -1.703 1.084 1.00 20.15 H new ATOM 0 HD1 PHE A 9 -13.441 0.040 3.316 1.00 1.33 H new ATOM 0 HD2 PHE A 9 -16.872 -2.424 3.254 1.00 24.44 H new ATOM 0 HE1 PHE A 9 -13.055 -0.555 5.712 1.00 4.13 H new ATOM 0 HE2 PHE A 9 -16.489 -3.020 5.652 1.00 13.43 H new ATOM 0 HZ PHE A 9 -14.583 -2.078 6.853 1.00 34.12 H new ATOM 129 N LEU A 10 -13.092 -1.437 -0.047 1.00 44.14 N ATOM 130 CA LEU A 10 -11.896 -2.193 -0.375 1.00 61.14 C ATOM 131 C LEU A 10 -10.901 -1.279 -1.092 1.00 42.54 C ATOM 132 O LEU A 10 -9.719 -1.253 -0.750 1.00 45.14 O ATOM 133 CB LEU A 10 -12.258 -3.451 -1.168 1.00 32.35 C ATOM 134 CG LEU A 10 -13.413 -4.286 -0.612 1.00 73.41 C ATOM 135 CD1 LEU A 10 -14.120 -5.058 -1.728 1.00 51.41 C ATOM 136 CD2 LEU A 10 -12.931 -5.210 0.508 1.00 73.13 C ATOM 0 H LEU A 10 -13.919 -1.690 -0.588 1.00 44.14 H new ATOM 0 HA LEU A 10 -11.407 -2.546 0.533 1.00 61.14 H new ATOM 0 HB2 LEU A 10 -12.508 -3.155 -2.187 1.00 32.35 H new ATOM 0 HB3 LEU A 10 -11.374 -4.085 -1.228 1.00 32.35 H new ATOM 0 HG LEU A 10 -14.146 -3.607 -0.177 1.00 73.41 H new ATOM 0 HD11 LEU A 10 -14.937 -5.643 -1.305 1.00 51.41 H new ATOM 0 HD12 LEU A 10 -14.518 -4.356 -2.460 1.00 51.41 H new ATOM 0 HD13 LEU A 10 -13.409 -5.726 -2.215 1.00 51.41 H new ATOM 0 HD21 LEU A 10 -13.771 -5.792 0.886 1.00 73.13 H new ATOM 0 HD22 LEU A 10 -12.167 -5.884 0.120 1.00 73.13 H new ATOM 0 HD23 LEU A 10 -12.511 -4.613 1.317 1.00 73.13 H new ATOM 148 N GLY A 11 -11.413 -0.552 -2.073 1.00 62.44 N ATOM 149 CA GLY A 11 -10.584 0.361 -2.841 1.00 73.42 C ATOM 150 C GLY A 11 -9.732 1.235 -1.918 1.00 34.22 C ATOM 151 O GLY A 11 -8.596 1.568 -2.249 1.00 13.22 O ATOM 0 H GLY A 11 -12.393 -0.577 -2.354 1.00 62.44 H new ATOM 0 HA2 GLY A 11 -9.937 -0.205 -3.511 1.00 73.42 H new ATOM 0 HA3 GLY A 11 -11.215 0.993 -3.466 1.00 73.42 H new ATOM 155 N ALA A 12 -10.314 1.581 -0.780 1.00 63.15 N ATOM 156 CA ALA A 12 -9.623 2.410 0.192 1.00 63.15 C ATOM 157 C ALA A 12 -8.490 1.603 0.830 1.00 3.34 C ATOM 158 O ALA A 12 -7.383 2.111 1.004 1.00 30.25 O ATOM 159 CB ALA A 12 -10.625 2.926 1.228 1.00 34.41 C ATOM 0 H ALA A 12 -11.257 1.302 -0.509 1.00 63.15 H new ATOM 0 HA ALA A 12 -9.178 3.279 -0.293 1.00 63.15 H new ATOM 0 HB1 ALA A 12 -10.106 3.548 1.957 1.00 34.41 H new ATOM 0 HB2 ALA A 12 -11.393 3.516 0.729 1.00 34.41 H new ATOM 0 HB3 ALA A 12 -11.090 2.081 1.737 1.00 34.41 H new ATOM 165 N ALA A 13 -8.806 0.360 1.162 1.00 52.31 N ATOM 166 CA ALA A 13 -7.828 -0.522 1.776 1.00 2.21 C ATOM 167 C ALA A 13 -6.632 -0.685 0.835 1.00 41.32 C ATOM 168 O ALA A 13 -5.526 -0.992 1.278 1.00 23.34 O ATOM 169 CB ALA A 13 -8.488 -1.859 2.115 1.00 64.04 C ATOM 0 H ALA A 13 -9.725 -0.057 1.017 1.00 52.31 H new ATOM 0 HA ALA A 13 -7.459 -0.095 2.708 1.00 2.21 H new ATOM 0 HB1 ALA A 13 -7.754 -2.521 2.576 1.00 64.04 H new ATOM 0 HB2 ALA A 13 -9.312 -1.692 2.809 1.00 64.04 H new ATOM 0 HB3 ALA A 13 -8.869 -2.318 1.203 1.00 64.04 H new ATOM 175 N GLY A 14 -6.894 -0.472 -0.446 1.00 65.34 N ATOM 176 CA GLY A 14 -5.854 -0.591 -1.453 1.00 40.34 C ATOM 177 C GLY A 14 -4.739 0.430 -1.214 1.00 61.40 C ATOM 178 O GLY A 14 -3.575 0.061 -1.074 1.00 51.22 O ATOM 0 H GLY A 14 -7.812 -0.218 -0.810 1.00 65.34 H new ATOM 0 HA2 GLY A 14 -5.439 -1.599 -1.435 1.00 40.34 H new ATOM 0 HA3 GLY A 14 -6.283 -0.441 -2.444 1.00 40.34 H new ATOM 182 N SER A 15 -5.137 1.693 -1.174 1.00 40.41 N ATOM 183 CA SER A 15 -4.186 2.770 -0.953 1.00 72.14 C ATOM 184 C SER A 15 -3.290 2.440 0.241 1.00 55.45 C ATOM 185 O SER A 15 -2.068 2.571 0.160 1.00 71.25 O ATOM 186 CB SER A 15 -4.905 4.101 -0.726 1.00 65.23 C ATOM 187 OG SER A 15 -6.085 4.213 -1.517 1.00 64.23 O ATOM 0 H SER A 15 -6.104 1.995 -1.291 1.00 40.41 H new ATOM 0 HA SER A 15 -3.568 2.869 -1.845 1.00 72.14 H new ATOM 0 HB2 SER A 15 -5.165 4.197 0.328 1.00 65.23 H new ATOM 0 HB3 SER A 15 -4.230 4.923 -0.964 1.00 65.23 H new ATOM 0 HG SER A 15 -6.516 5.076 -1.342 1.00 64.23 H new ATOM 193 N LYS A 16 -3.928 2.017 1.321 1.00 43.51 N ATOM 194 CA LYS A 16 -3.203 1.667 2.531 1.00 5.41 C ATOM 195 C LYS A 16 -2.032 0.751 2.171 1.00 23.10 C ATOM 196 O LYS A 16 -0.873 1.107 2.379 1.00 21.25 O ATOM 197 CB LYS A 16 -4.152 1.071 3.573 1.00 32.24 C ATOM 198 CG LYS A 16 -3.415 0.770 4.878 1.00 10.30 C ATOM 199 CD LYS A 16 -3.780 1.787 5.961 1.00 1.50 C ATOM 200 CE LYS A 16 -2.623 1.982 6.944 1.00 73.23 C ATOM 201 NZ LYS A 16 -2.932 3.068 7.899 1.00 3.35 N ATOM 0 H LYS A 16 -4.940 1.908 1.384 1.00 43.51 H new ATOM 0 HA LYS A 16 -2.781 2.559 2.993 1.00 5.41 H new ATOM 0 HB2 LYS A 16 -4.969 1.766 3.765 1.00 32.24 H new ATOM 0 HB3 LYS A 16 -4.597 0.155 3.183 1.00 32.24 H new ATOM 0 HG2 LYS A 16 -3.666 -0.235 5.218 1.00 10.30 H new ATOM 0 HG3 LYS A 16 -2.339 0.788 4.705 1.00 10.30 H new ATOM 0 HD2 LYS A 16 -4.033 2.741 5.498 1.00 1.50 H new ATOM 0 HD3 LYS A 16 -4.666 1.449 6.499 1.00 1.50 H new ATOM 0 HE2 LYS A 16 -2.439 1.055 7.486 1.00 73.23 H new ATOM 0 HE3 LYS A 16 -1.710 2.219 6.398 1.00 73.23 H new ATOM 0 HZ1 LYS A 16 -2.137 3.187 8.559 1.00 3.35 H new ATOM 0 HZ2 LYS A 16 -3.086 3.955 7.378 1.00 3.35 H new ATOM 0 HZ3 LYS A 16 -3.791 2.827 8.433 1.00 3.35 H new ATOM 214 N LYS A 17 -2.375 -0.413 1.638 1.00 14.44 N ATOM 215 CA LYS A 17 -1.366 -1.383 1.248 1.00 72.32 C ATOM 216 C LYS A 17 -0.900 -1.081 -0.178 1.00 12.31 C ATOM 217 O LYS A 17 -1.150 -1.861 -1.096 1.00 62.33 O ATOM 218 CB LYS A 17 -1.894 -2.808 1.433 1.00 50.43 C ATOM 219 CG LYS A 17 -2.251 -3.074 2.897 1.00 0.34 C ATOM 220 CD LYS A 17 -1.014 -2.965 3.792 1.00 61.52 C ATOM 221 CE LYS A 17 -1.085 -3.965 4.947 1.00 41.14 C ATOM 222 NZ LYS A 17 0.197 -4.695 5.080 1.00 21.33 N ATOM 0 H LYS A 17 -3.337 -0.706 1.467 1.00 14.44 H new ATOM 0 HA LYS A 17 -0.491 -1.305 1.894 1.00 72.32 H new ATOM 0 HB2 LYS A 17 -2.774 -2.958 0.807 1.00 50.43 H new ATOM 0 HB3 LYS A 17 -1.142 -3.524 1.102 1.00 50.43 H new ATOM 0 HG2 LYS A 17 -3.006 -2.360 3.226 1.00 0.34 H new ATOM 0 HG3 LYS A 17 -2.688 -4.068 2.994 1.00 0.34 H new ATOM 0 HD2 LYS A 17 -0.116 -3.148 3.202 1.00 61.52 H new ATOM 0 HD3 LYS A 17 -0.934 -1.952 4.187 1.00 61.52 H new ATOM 0 HE2 LYS A 17 -1.310 -3.441 5.876 1.00 41.14 H new ATOM 0 HE3 LYS A 17 -1.897 -4.672 4.775 1.00 41.14 H new ATOM 0 HZ1 LYS A 17 0.132 -5.370 5.869 1.00 21.33 H new ATOM 0 HZ2 LYS A 17 0.396 -5.210 4.199 1.00 21.33 H new ATOM 0 HZ3 LYS A 17 0.964 -4.018 5.266 1.00 21.33 H new HETATM 235 C1 ACA A 18 0.668 -3.063 -5.794 1.00 33.30 C HETATM 236 O1 ACA A 18 1.410 -4.026 -5.981 1.00 72.13 O HETATM 237 C2 ACA A 18 0.568 -3.042 -4.318 1.00 55.24 C HETATM 238 C3 ACA A 18 1.737 -2.263 -3.713 1.00 52.30 C HETATM 239 C4 ACA A 18 1.369 -0.792 -3.509 1.00 11.21 C HETATM 240 C5 ACA A 18 1.465 -0.402 -2.033 1.00 44.01 C HETATM 241 C6 ACA A 18 0.276 0.467 -1.616 1.00 72.22 C HETATM 242 N6 ACA A 18 -0.228 0.052 -0.318 1.00 31.44 N HETATM 0 H62 ACA A 18 0.579 1.513 -1.577 1.00 72.22 H new HETATM 0 H61 ACA A 18 -0.516 0.392 -2.361 1.00 72.22 H new HETATM 0 H52 ACA A 18 1.497 -1.301 -1.417 1.00 44.01 H new HETATM 0 H51 ACA A 18 2.395 0.139 -1.856 1.00 44.01 H new HETATM 0 H42 ACA A 18 2.034 -0.162 -4.099 1.00 11.21 H new HETATM 0 H41 ACA A 18 0.356 -0.613 -3.871 1.00 11.21 H new HETATM 0 H32 ACA A 18 2.019 -2.707 -2.758 1.00 52.30 H new HETATM 0 H31 ACA A 18 2.605 -2.337 -4.368 1.00 52.30 H new HETATM 0 H22 ACA A 18 -0.375 -2.585 -4.018 1.00 55.24 H new HETATM 0 H21 ACA A 18 0.565 -4.062 -3.933 1.00 55.24 H new ATOM 254 N LYS A 19 -0.512 -2.902 -6.374 1.00 1.01 N ATOM 255 CA LYS A 19 -1.030 -3.889 -7.306 1.00 40.23 C ATOM 256 C LYS A 19 -0.739 -3.434 -8.738 1.00 65.51 C ATOM 257 O LYS A 19 -0.230 -2.335 -8.952 1.00 70.01 O ATOM 258 CB LYS A 19 -2.511 -4.157 -7.034 1.00 41.11 C ATOM 259 CG LYS A 19 -2.764 -4.377 -5.541 1.00 10.30 C ATOM 260 CD LYS A 19 -2.027 -5.619 -5.037 1.00 60.33 C ATOM 261 CE LYS A 19 -2.818 -6.312 -3.925 1.00 23.00 C ATOM 262 NZ LYS A 19 -1.901 -6.990 -2.982 1.00 73.00 N ATOM 0 HA LYS A 19 -0.527 -4.846 -7.167 1.00 40.23 H new ATOM 0 HB2 LYS A 19 -3.107 -3.316 -7.387 1.00 41.11 H new ATOM 0 HB3 LYS A 19 -2.834 -5.034 -7.594 1.00 41.11 H new ATOM 0 HG2 LYS A 19 -2.435 -3.502 -4.980 1.00 10.30 H new ATOM 0 HG3 LYS A 19 -3.834 -4.487 -5.362 1.00 10.30 H new ATOM 0 HD2 LYS A 19 -1.869 -6.313 -5.863 1.00 60.33 H new ATOM 0 HD3 LYS A 19 -1.042 -5.336 -4.666 1.00 60.33 H new ATOM 0 HE2 LYS A 19 -3.423 -5.580 -3.390 1.00 23.00 H new ATOM 0 HE3 LYS A 19 -3.506 -7.038 -4.358 1.00 23.00 H new ATOM 0 HZ1 LYS A 19 -2.454 -7.455 -2.234 1.00 73.00 H new ATOM 0 HZ2 LYS A 19 -1.342 -7.703 -3.493 1.00 73.00 H new ATOM 0 HZ3 LYS A 19 -1.262 -6.289 -2.555 1.00 73.00 H new ATOM 275 N ASN A 20 -1.079 -4.301 -9.680 1.00 13.30 N ATOM 276 CA ASN A 20 -0.861 -4.002 -11.086 1.00 61.10 C ATOM 277 C ASN A 20 -1.765 -4.894 -11.938 1.00 22.51 C ATOM 278 O ASN A 20 -2.572 -4.396 -12.722 1.00 73.24 O ATOM 279 CB ASN A 20 0.590 -4.276 -11.489 1.00 64.43 C ATOM 280 CG ASN A 20 1.116 -3.182 -12.420 1.00 61.14 C ATOM 281 OD1 ASN A 20 0.431 -2.707 -13.311 1.00 44.02 O ATOM 282 ND2 ASN A 20 2.367 -2.811 -12.165 1.00 51.44 N ATOM 0 H ASN A 20 -1.504 -5.210 -9.498 1.00 13.30 H new ATOM 0 HA ASN A 20 -1.086 -2.948 -11.246 1.00 61.10 H new ATOM 0 HB2 ASN A 20 1.215 -4.331 -10.597 1.00 64.43 H new ATOM 0 HB3 ASN A 20 0.657 -5.244 -11.985 1.00 64.43 H new ATOM 0 HD21 ASN A 20 2.810 -2.087 -12.731 1.00 51.44 H new ATOM 0 HD22 ASN A 20 2.884 -3.250 -11.403 1.00 51.44 H new ATOM 289 N GLU A 21 -1.602 -6.195 -11.756 1.00 51.03 N ATOM 290 CA GLU A 21 -2.394 -7.161 -12.499 1.00 32.10 C ATOM 291 C GLU A 21 -3.822 -7.208 -11.952 1.00 53.10 C ATOM 292 O GLU A 21 -4.764 -7.495 -12.690 1.00 53.21 O ATOM 293 CB GLU A 21 -1.746 -8.546 -12.461 1.00 71.54 C ATOM 294 CG GLU A 21 -1.428 -8.965 -11.024 1.00 70.11 C ATOM 295 CD GLU A 21 0.081 -9.097 -10.813 1.00 31.13 C ATOM 296 OE1 GLU A 21 0.867 -8.480 -11.548 1.00 64.41 O ATOM 297 OE2 GLU A 21 0.430 -9.873 -9.843 1.00 31.21 O ATOM 0 H GLU A 21 -0.933 -6.604 -11.104 1.00 51.03 H new ATOM 0 HA GLU A 21 -2.435 -6.844 -13.541 1.00 32.10 H new ATOM 0 HB2 GLU A 21 -2.414 -9.276 -12.917 1.00 71.54 H new ATOM 0 HB3 GLU A 21 -0.830 -8.539 -13.052 1.00 71.54 H new ATOM 0 HG2 GLU A 21 -1.833 -8.230 -10.329 1.00 70.11 H new ATOM 0 HG3 GLU A 21 -1.914 -9.915 -10.802 1.00 70.11 H new ATOM 305 N GLN A 22 -3.938 -6.923 -10.663 1.00 31.50 N ATOM 306 CA GLN A 22 -5.236 -6.930 -10.010 1.00 11.03 C ATOM 307 C GLN A 22 -6.100 -5.782 -10.534 1.00 3.41 C ATOM 308 O GLN A 22 -7.309 -5.937 -10.703 1.00 14.12 O ATOM 309 CB GLN A 22 -5.085 -6.852 -8.490 1.00 52.43 C ATOM 310 CG GLN A 22 -6.276 -7.503 -7.785 1.00 75.40 C ATOM 311 CD GLN A 22 -6.299 -7.142 -6.299 1.00 23.41 C ATOM 312 OE1 GLN A 22 -5.812 -7.869 -5.449 1.00 34.44 O ATOM 313 NE2 GLN A 22 -6.892 -5.982 -6.033 1.00 34.31 N ATOM 0 H GLN A 22 -3.155 -6.686 -10.054 1.00 31.50 H new ATOM 0 HA GLN A 22 -5.734 -7.871 -10.245 1.00 11.03 H new ATOM 0 HB2 GLN A 22 -4.163 -7.348 -8.187 1.00 52.43 H new ATOM 0 HB3 GLN A 22 -5.002 -5.810 -8.183 1.00 52.43 H new ATOM 0 HG2 GLN A 22 -7.204 -7.178 -8.256 1.00 75.40 H new ATOM 0 HG3 GLN A 22 -6.223 -8.586 -7.899 1.00 75.40 H new ATOM 0 HE21 GLN A 22 -7.279 -5.421 -6.792 1.00 34.31 H new ATOM 0 HE22 GLN A 22 -6.960 -5.653 -5.070 1.00 34.31 H new ATOM 322 N GLU A 23 -5.447 -4.655 -10.776 1.00 32.14 N ATOM 323 CA GLU A 23 -6.141 -3.480 -11.277 1.00 72.25 C ATOM 324 C GLU A 23 -6.841 -3.802 -12.599 1.00 22.34 C ATOM 325 O GLU A 23 -7.891 -3.237 -12.902 1.00 62.42 O ATOM 326 CB GLU A 23 -5.178 -2.302 -11.440 1.00 70.34 C ATOM 327 CG GLU A 23 -4.485 -1.974 -10.116 1.00 21.43 C ATOM 328 CD GLU A 23 -4.708 -0.510 -9.730 1.00 52.12 C ATOM 329 OE1 GLU A 23 -5.730 0.082 -10.106 1.00 41.54 O ATOM 330 OE2 GLU A 23 -3.772 0.012 -9.012 1.00 43.40 O ATOM 0 H GLU A 23 -4.445 -4.530 -10.635 1.00 32.14 H new ATOM 0 HA GLU A 23 -6.897 -3.190 -10.548 1.00 72.25 H new ATOM 0 HB2 GLU A 23 -4.431 -2.541 -12.197 1.00 70.34 H new ATOM 0 HB3 GLU A 23 -5.724 -1.428 -11.795 1.00 70.34 H new ATOM 0 HG2 GLU A 23 -4.869 -2.624 -9.330 1.00 21.43 H new ATOM 0 HG3 GLU A 23 -3.417 -2.173 -10.201 1.00 21.43 H new ATOM 338 N LEU A 24 -6.232 -4.708 -13.350 1.00 11.24 N ATOM 339 CA LEU A 24 -6.785 -5.110 -14.633 1.00 43.42 C ATOM 340 C LEU A 24 -8.018 -5.985 -14.399 1.00 52.44 C ATOM 341 O LEU A 24 -8.988 -5.912 -15.151 1.00 33.31 O ATOM 342 CB LEU A 24 -5.710 -5.779 -15.493 1.00 42.10 C ATOM 343 CG LEU A 24 -5.650 -5.334 -16.955 1.00 11.44 C ATOM 344 CD1 LEU A 24 -4.298 -5.687 -17.580 1.00 21.30 C ATOM 345 CD2 LEU A 24 -6.819 -5.912 -17.753 1.00 31.04 C ATOM 0 H LEU A 24 -5.362 -5.175 -13.095 1.00 11.24 H new ATOM 0 HA LEU A 24 -7.115 -4.238 -15.197 1.00 43.42 H new ATOM 0 HB2 LEU A 24 -4.738 -5.591 -15.036 1.00 42.10 H new ATOM 0 HB3 LEU A 24 -5.871 -6.857 -15.468 1.00 42.10 H new ATOM 0 HG LEU A 24 -5.746 -4.249 -16.986 1.00 11.44 H new ATOM 0 HD11 LEU A 24 -4.281 -5.360 -18.620 1.00 21.30 H new ATOM 0 HD12 LEU A 24 -3.501 -5.187 -17.029 1.00 21.30 H new ATOM 0 HD13 LEU A 24 -4.148 -6.766 -17.537 1.00 21.30 H new ATOM 0 HD21 LEU A 24 -6.752 -5.580 -18.789 1.00 31.04 H new ATOM 0 HD22 LEU A 24 -6.781 -7.001 -17.718 1.00 31.04 H new ATOM 0 HD23 LEU A 24 -7.759 -5.568 -17.322 1.00 31.04 H new ATOM 357 N LEU A 25 -7.940 -6.794 -13.352 1.00 31.00 N ATOM 358 CA LEU A 25 -9.038 -7.683 -13.010 1.00 41.13 C ATOM 359 C LEU A 25 -10.234 -6.851 -12.542 1.00 72.43 C ATOM 360 O LEU A 25 -11.381 -7.193 -12.827 1.00 62.11 O ATOM 361 CB LEU A 25 -8.582 -8.731 -11.993 1.00 2.41 C ATOM 362 CG LEU A 25 -9.695 -9.476 -11.253 1.00 55.40 C ATOM 363 CD1 LEU A 25 -9.561 -10.988 -11.443 1.00 61.31 C ATOM 364 CD2 LEU A 25 -9.728 -9.085 -9.774 1.00 12.32 C ATOM 0 H LEU A 25 -7.134 -6.852 -12.730 1.00 31.00 H new ATOM 0 HA LEU A 25 -9.362 -8.244 -13.887 1.00 41.13 H new ATOM 0 HB2 LEU A 25 -7.962 -9.464 -12.509 1.00 2.41 H new ATOM 0 HB3 LEU A 25 -7.947 -8.240 -11.255 1.00 2.41 H new ATOM 0 HG LEU A 25 -10.651 -9.180 -11.685 1.00 55.40 H new ATOM 0 HD11 LEU A 25 -10.364 -11.495 -10.907 1.00 61.31 H new ATOM 0 HD12 LEU A 25 -9.625 -11.228 -12.504 1.00 61.31 H new ATOM 0 HD13 LEU A 25 -8.599 -11.320 -11.053 1.00 61.31 H new ATOM 0 HD21 LEU A 25 -10.528 -9.629 -9.272 1.00 12.32 H new ATOM 0 HD22 LEU A 25 -8.773 -9.334 -9.310 1.00 12.32 H new ATOM 0 HD23 LEU A 25 -9.906 -8.013 -9.685 1.00 12.32 H new ATOM 376 N GLU A 26 -9.926 -5.776 -11.833 1.00 52.40 N ATOM 377 CA GLU A 26 -10.962 -4.894 -11.323 1.00 14.44 C ATOM 378 C GLU A 26 -11.867 -4.423 -12.464 1.00 52.03 C ATOM 379 O GLU A 26 -13.087 -4.380 -12.316 1.00 64.03 O ATOM 380 CB GLU A 26 -10.351 -3.702 -10.581 1.00 55.30 C ATOM 381 CG GLU A 26 -11.078 -3.449 -9.259 1.00 31.13 C ATOM 382 CD GLU A 26 -10.446 -4.256 -8.122 1.00 35.51 C ATOM 383 OE1 GLU A 26 -10.433 -3.798 -6.971 1.00 53.43 O ATOM 384 OE2 GLU A 26 -9.958 -5.398 -8.471 1.00 35.43 O ATOM 0 H GLU A 26 -8.974 -5.495 -11.599 1.00 52.40 H new ATOM 0 HA GLU A 26 -11.569 -5.452 -10.610 1.00 14.44 H new ATOM 0 HB2 GLU A 26 -9.295 -3.891 -10.389 1.00 55.30 H new ATOM 0 HB3 GLU A 26 -10.407 -2.812 -11.207 1.00 55.30 H new ATOM 0 HG2 GLU A 26 -11.043 -2.386 -9.018 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -12.129 -3.719 -9.361 1.00 31.13 H new ATOM 392 N LEU A 27 -11.234 -4.083 -13.577 1.00 2.23 N ATOM 393 CA LEU A 27 -11.967 -3.616 -14.742 1.00 52.25 C ATOM 394 C LEU A 27 -12.768 -4.778 -15.332 1.00 33.53 C ATOM 395 O LEU A 27 -13.841 -4.573 -15.899 1.00 13.22 O ATOM 396 CB LEU A 27 -11.018 -2.954 -15.743 1.00 4.25 C ATOM 397 CG LEU A 27 -11.606 -1.806 -16.566 1.00 30.20 C ATOM 398 CD1 LEU A 27 -12.674 -2.318 -17.535 1.00 41.30 C ATOM 399 CD2 LEU A 27 -12.141 -0.698 -15.658 1.00 4.03 C ATOM 0 H LEU A 27 -10.222 -4.121 -13.697 1.00 2.23 H new ATOM 0 HA LEU A 27 -12.682 -2.844 -14.458 1.00 52.25 H new ATOM 0 HB2 LEU A 27 -10.152 -2.578 -15.198 1.00 4.25 H new ATOM 0 HB3 LEU A 27 -10.655 -3.719 -16.430 1.00 4.25 H new ATOM 0 HG LEU A 27 -10.807 -1.372 -17.167 1.00 30.20 H new ATOM 0 HD11 LEU A 27 -13.076 -1.482 -18.108 1.00 41.30 H new ATOM 0 HD12 LEU A 27 -12.230 -3.044 -18.216 1.00 41.30 H new ATOM 0 HD13 LEU A 27 -13.478 -2.793 -16.973 1.00 41.30 H new ATOM 0 HD21 LEU A 27 -12.553 0.105 -16.269 1.00 4.03 H new ATOM 0 HD22 LEU A 27 -12.922 -1.101 -15.013 1.00 4.03 H new ATOM 0 HD23 LEU A 27 -11.330 -0.307 -15.044 1.00 4.03 H new ATOM 411 N ASP A 28 -12.218 -5.974 -15.179 1.00 14.41 N ATOM 412 CA ASP A 28 -12.868 -7.168 -15.691 1.00 21.02 C ATOM 413 C ASP A 28 -14.251 -7.304 -15.051 1.00 23.24 C ATOM 414 O ASP A 28 -15.223 -7.637 -15.728 1.00 50.32 O ATOM 415 CB ASP A 28 -12.064 -8.423 -15.347 1.00 52.42 C ATOM 416 CG ASP A 28 -12.365 -9.644 -16.220 1.00 45.22 C ATOM 417 OD1 ASP A 28 -12.542 -10.762 -15.714 1.00 74.21 O ATOM 418 OD2 ASP A 28 -12.416 -9.409 -17.487 1.00 22.42 O ATOM 0 H ASP A 28 -11.329 -6.141 -14.707 1.00 14.41 H new ATOM 0 HA ASP A 28 -12.943 -7.073 -16.774 1.00 21.02 H new ATOM 0 HB2 ASP A 28 -11.002 -8.190 -15.429 1.00 52.42 H new ATOM 0 HB3 ASP A 28 -12.254 -8.684 -14.306 1.00 52.42 H new ATOM 424 N LYS A 29 -14.297 -7.039 -13.753 1.00 61.01 N ATOM 425 CA LYS A 29 -15.545 -7.127 -13.015 1.00 10.41 C ATOM 426 C LYS A 29 -16.426 -5.927 -13.366 1.00 1.41 C ATOM 427 O LYS A 29 -17.651 -6.039 -13.395 1.00 14.35 O ATOM 428 CB LYS A 29 -15.271 -7.272 -11.516 1.00 14.14 C ATOM 429 CG LYS A 29 -13.985 -8.063 -11.268 1.00 4.10 C ATOM 430 CD LYS A 29 -14.056 -8.822 -9.941 1.00 22.31 C ATOM 431 CE LYS A 29 -14.843 -10.125 -10.096 1.00 22.45 C ATOM 432 NZ LYS A 29 -13.948 -11.293 -9.949 1.00 3.43 N ATOM 0 H LYS A 29 -13.490 -6.763 -13.194 1.00 61.01 H new ATOM 0 HA LYS A 29 -16.096 -8.022 -13.303 1.00 10.41 H new ATOM 0 HB2 LYS A 29 -15.189 -6.285 -11.061 1.00 14.14 H new ATOM 0 HB3 LYS A 29 -16.110 -7.776 -11.036 1.00 14.14 H new ATOM 0 HG2 LYS A 29 -13.823 -8.766 -12.085 1.00 4.10 H new ATOM 0 HG3 LYS A 29 -13.132 -7.384 -11.258 1.00 4.10 H new ATOM 0 HD2 LYS A 29 -13.048 -9.041 -9.589 1.00 22.31 H new ATOM 0 HD3 LYS A 29 -14.528 -8.195 -9.184 1.00 22.31 H new ATOM 0 HE2 LYS A 29 -15.634 -10.170 -9.348 1.00 22.45 H new ATOM 0 HE3 LYS A 29 -15.326 -10.151 -11.073 1.00 22.45 H new ATOM 0 HZ1 LYS A 29 -14.499 -12.168 -10.057 1.00 3.43 H new ATOM 0 HZ2 LYS A 29 -13.208 -11.257 -10.679 1.00 3.43 H new ATOM 0 HZ3 LYS A 29 -13.507 -11.276 -9.007 1.00 3.43 H new ATOM 445 N TRP A 30 -15.769 -4.805 -13.623 1.00 45.22 N ATOM 446 CA TRP A 30 -16.477 -3.585 -13.969 1.00 14.11 C ATOM 447 C TRP A 30 -17.260 -3.844 -15.259 1.00 11.24 C ATOM 448 O TRP A 30 -18.218 -3.135 -15.561 1.00 64.10 O ATOM 449 CB TRP A 30 -15.512 -2.404 -14.083 1.00 4.43 C ATOM 450 CG TRP A 30 -16.201 -1.039 -14.130 1.00 70.33 C ATOM 451 CD1 TRP A 30 -16.296 -0.128 -13.152 1.00 61.41 C ATOM 452 CD2 TRP A 30 -16.893 -0.463 -15.259 1.00 51.15 C ATOM 453 NE1 TRP A 30 -16.995 0.987 -13.565 1.00 21.54 N ATOM 454 CE2 TRP A 30 -17.369 0.777 -14.887 1.00 64.33 C ATOM 455 CE3 TRP A 30 -17.109 -0.974 -16.550 1.00 14.21 C ATOM 456 CZ2 TRP A 30 -18.092 1.611 -15.750 1.00 63.22 C ATOM 457 CZ3 TRP A 30 -17.832 -0.129 -17.401 1.00 63.12 C ATOM 458 CH2 TRP A 30 -18.319 1.121 -17.042 1.00 4.54 C ATOM 0 H TRP A 30 -14.753 -4.716 -13.598 1.00 45.22 H new ATOM 0 HA TRP A 30 -17.180 -3.311 -13.183 1.00 14.11 H new ATOM 0 HB2 TRP A 30 -14.827 -2.425 -13.235 1.00 4.43 H new ATOM 0 HB3 TRP A 30 -14.909 -2.526 -14.983 1.00 4.43 H new ATOM 0 HD1 TRP A 30 -15.878 -0.251 -12.164 1.00 61.41 H new ATOM 0 HE1 TRP A 30 -17.200 1.814 -13.004 1.00 21.54 H new ATOM 0 HE3 TRP A 30 -16.746 -1.942 -16.861 1.00 14.21 H new ATOM 0 HZ2 TRP A 30 -18.454 2.579 -15.436 1.00 63.22 H new ATOM 0 HZ3 TRP A 30 -18.024 -0.473 -18.406 1.00 63.12 H new ATOM 0 HH2 TRP A 30 -18.871 1.713 -17.757 1.00 4.54 H new ATOM 469 N ALA A 31 -16.821 -4.862 -15.985 1.00 35.23 N ATOM 470 CA ALA A 31 -17.468 -5.223 -17.236 1.00 64.02 C ATOM 471 C ALA A 31 -18.932 -5.574 -16.964 1.00 25.21 C ATOM 472 O ALA A 31 -19.789 -5.390 -17.827 1.00 70.13 O ATOM 473 CB ALA A 31 -16.704 -6.374 -17.892 1.00 42.21 C ATOM 0 H ALA A 31 -16.026 -5.448 -15.731 1.00 35.23 H new ATOM 0 HA ALA A 31 -17.454 -4.384 -17.932 1.00 64.02 H new ATOM 0 HB1 ALA A 31 -17.189 -6.645 -18.830 1.00 42.21 H new ATOM 0 HB2 ALA A 31 -15.678 -6.063 -18.090 1.00 42.21 H new ATOM 0 HB3 ALA A 31 -16.700 -7.235 -17.224 1.00 42.21 H new ATOM 479 N SER A 32 -19.174 -6.073 -15.761 1.00 40.24 N ATOM 480 CA SER A 32 -20.520 -6.453 -15.364 1.00 31.12 C ATOM 481 C SER A 32 -21.478 -5.278 -15.574 1.00 40.21 C ATOM 482 O SER A 32 -22.650 -5.476 -15.890 1.00 42.11 O ATOM 483 CB SER A 32 -20.556 -6.913 -13.905 1.00 32.33 C ATOM 484 OG SER A 32 -21.836 -7.417 -13.537 1.00 44.31 O ATOM 0 H SER A 32 -18.461 -6.223 -15.047 1.00 40.24 H new ATOM 0 HA SER A 32 -20.837 -7.289 -15.987 1.00 31.12 H new ATOM 0 HB2 SER A 32 -19.803 -7.686 -13.750 1.00 32.33 H new ATOM 0 HB3 SER A 32 -20.294 -6.078 -13.255 1.00 32.33 H new ATOM 0 HG SER A 32 -21.818 -7.702 -12.599 1.00 44.31 H new ATOM 490 N LEU A 33 -20.942 -4.080 -15.390 1.00 31.25 N ATOM 491 CA LEU A 33 -21.735 -2.873 -15.555 1.00 31.23 C ATOM 492 C LEU A 33 -22.374 -2.874 -16.945 1.00 63.52 C ATOM 493 O LEU A 33 -23.527 -2.475 -17.101 1.00 34.02 O ATOM 494 CB LEU A 33 -20.887 -1.632 -15.268 1.00 13.42 C ATOM 495 CG LEU A 33 -21.516 -0.589 -14.342 1.00 50.33 C ATOM 496 CD1 LEU A 33 -20.475 -0.015 -13.378 1.00 22.22 C ATOM 497 CD2 LEU A 33 -22.219 0.506 -15.146 1.00 42.23 C ATOM 0 H LEU A 33 -19.969 -3.919 -15.129 1.00 31.25 H new ATOM 0 HA LEU A 33 -22.549 -2.849 -14.830 1.00 31.23 H new ATOM 0 HB2 LEU A 33 -19.943 -1.955 -14.830 1.00 13.42 H new ATOM 0 HB3 LEU A 33 -20.650 -1.151 -16.217 1.00 13.42 H new ATOM 0 HG LEU A 33 -22.278 -1.082 -13.738 1.00 50.33 H new ATOM 0 HD11 LEU A 33 -20.947 0.724 -12.731 1.00 22.22 H new ATOM 0 HD12 LEU A 33 -20.061 -0.819 -12.769 1.00 22.22 H new ATOM 0 HD13 LEU A 33 -19.675 0.459 -13.947 1.00 22.22 H new ATOM 0 HD21 LEU A 33 -22.657 1.234 -14.463 1.00 42.23 H new ATOM 0 HD22 LEU A 33 -21.496 1.004 -15.792 1.00 42.23 H new ATOM 0 HD23 LEU A 33 -23.005 0.061 -15.756 1.00 42.23 H new ATOM 509 N TRP A 34 -21.597 -3.326 -17.919 1.00 43.42 N ATOM 510 CA TRP A 34 -22.073 -3.384 -19.290 1.00 22.11 C ATOM 511 C TRP A 34 -23.191 -4.425 -19.359 1.00 62.32 C ATOM 512 O TRP A 34 -24.261 -4.158 -19.904 1.00 4.41 O ATOM 513 CB TRP A 34 -20.925 -3.676 -20.257 1.00 14.44 C ATOM 514 CG TRP A 34 -20.186 -2.426 -20.741 1.00 42.05 C ATOM 515 CD1 TRP A 34 -19.109 -1.842 -20.198 1.00 53.13 C ATOM 516 CD2 TRP A 34 -20.516 -1.626 -21.895 1.00 1.33 C ATOM 517 NE1 TRP A 34 -18.721 -0.729 -20.914 1.00 33.24 N ATOM 518 CE2 TRP A 34 -19.604 -0.593 -21.980 1.00 21.04 C ATOM 519 CE3 TRP A 34 -21.550 -1.769 -22.837 1.00 4.32 C ATOM 520 CZ2 TRP A 34 -19.636 0.377 -22.990 1.00 31.12 C ATOM 521 CZ3 TRP A 34 -21.567 -0.792 -23.839 1.00 73.13 C ATOM 522 CH2 TRP A 34 -20.657 0.254 -23.939 1.00 31.32 C ATOM 0 H TRP A 34 -20.641 -3.655 -17.785 1.00 43.42 H new ATOM 0 HA TRP A 34 -22.476 -2.419 -19.599 1.00 22.11 H new ATOM 0 HB2 TRP A 34 -20.212 -4.341 -19.769 1.00 14.44 H new ATOM 0 HB3 TRP A 34 -21.319 -4.210 -21.122 1.00 14.44 H new ATOM 0 HD1 TRP A 34 -18.607 -2.198 -19.310 1.00 53.13 H new ATOM 0 HE1 TRP A 34 -17.932 -0.118 -20.701 1.00 33.24 H new ATOM 0 HE3 TRP A 34 -22.274 -2.569 -22.791 1.00 4.32 H new ATOM 0 HZ2 TRP A 34 -18.912 1.177 -23.034 1.00 31.12 H new ATOM 0 HZ3 TRP A 34 -22.343 -0.855 -24.588 1.00 73.13 H new ATOM 0 HH2 TRP A 34 -20.738 0.968 -24.745 1.00 31.32 H new ATOM 533 N ASN A 35 -22.906 -5.592 -18.798 1.00 2.43 N ATOM 534 CA ASN A 35 -23.874 -6.675 -18.789 1.00 21.51 C ATOM 535 C ASN A 35 -24.653 -6.645 -17.473 1.00 62.44 C ATOM 536 O ASN A 35 -25.882 -6.581 -17.476 1.00 22.20 O ATOM 537 CB ASN A 35 -23.181 -8.034 -18.897 1.00 72.11 C ATOM 538 CG ASN A 35 -23.185 -8.538 -20.342 1.00 74.32 C ATOM 539 OD1 ASN A 35 -23.409 -7.797 -21.285 1.00 50.43 O ATOM 540 ND2 ASN A 35 -22.926 -9.837 -20.463 1.00 52.32 N ATOM 0 H ASN A 35 -22.018 -5.810 -18.346 1.00 2.43 H new ATOM 0 HA ASN A 35 -24.539 -6.541 -19.642 1.00 21.51 H new ATOM 0 HB2 ASN A 35 -22.155 -7.952 -18.539 1.00 72.11 H new ATOM 0 HB3 ASN A 35 -23.686 -8.756 -18.255 1.00 72.11 H new ATOM 0 HD21 ASN A 35 -22.906 -10.269 -21.387 1.00 52.32 H new ATOM 0 HD22 ASN A 35 -22.747 -10.401 -19.632 1.00 52.32 H new TER 547 ASN A 35