USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=3 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 Single : A 1 GLY N :NH3+ -128:sc= 0.0897 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0105 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=-0.27) USER MOD Single : A 22 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 170:sc=-0.00757 USER MOD Single : A 35 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.757 -1.293 5.334 1.00 74.31 N ATOM 2 CA GLY A 1 -12.502 0.122 5.127 1.00 51.35 C ATOM 3 C GLY A 1 -13.623 0.974 5.725 1.00 5.14 C ATOM 4 O GLY A 1 -14.351 0.519 6.605 1.00 42.02 O ATOM 0 H1 GLY A 1 -11.923 -1.736 5.769 1.00 74.31 H new ATOM 0 H2 GLY A 1 -13.578 -1.410 5.961 1.00 74.31 H new ATOM 0 H3 GLY A 1 -12.953 -1.748 4.419 1.00 74.31 H new ATOM 0 HA2 GLY A 1 -11.550 0.394 5.583 1.00 51.35 H new ATOM 0 HA3 GLY A 1 -12.414 0.327 4.060 1.00 51.35 H new ATOM 8 N ILE A 2 -13.727 2.196 5.221 1.00 51.43 N ATOM 9 CA ILE A 2 -14.746 3.116 5.695 1.00 24.24 C ATOM 10 C ILE A 2 -15.426 3.778 4.494 1.00 72.41 C ATOM 11 O ILE A 2 -16.029 4.842 4.626 1.00 12.12 O ATOM 12 CB ILE A 2 -14.149 4.113 6.690 1.00 21.32 C ATOM 13 CG1 ILE A 2 -12.666 3.826 6.930 1.00 33.30 C ATOM 14 CG2 ILE A 2 -14.949 4.130 7.995 1.00 12.42 C ATOM 15 CD1 ILE A 2 -12.012 4.954 7.730 1.00 72.33 C ATOM 0 H ILE A 2 -13.122 2.569 4.489 1.00 51.43 H new ATOM 0 HA ILE A 2 -15.519 2.578 6.245 1.00 24.24 H new ATOM 0 HB ILE A 2 -14.217 5.111 6.257 1.00 21.32 H new ATOM 0 HG12 ILE A 2 -12.556 2.884 7.467 1.00 33.30 H new ATOM 0 HG13 ILE A 2 -12.155 3.710 5.974 1.00 33.30 H new ATOM 0 HG21 ILE A 2 -14.504 4.847 8.685 1.00 12.42 H new ATOM 0 HG22 ILE A 2 -15.979 4.419 7.786 1.00 12.42 H new ATOM 0 HG23 ILE A 2 -14.934 3.137 8.444 1.00 12.42 H new ATOM 0 HD11 ILE A 2 -10.958 4.725 7.887 1.00 72.33 H new ATOM 0 HD12 ILE A 2 -12.102 5.890 7.179 1.00 72.33 H new ATOM 0 HD13 ILE A 2 -12.510 5.052 8.695 1.00 72.33 H new ATOM 27 N GLY A 3 -15.306 3.120 3.350 1.00 61.12 N ATOM 28 CA GLY A 3 -15.902 3.631 2.127 1.00 63.02 C ATOM 29 C GLY A 3 -17.396 3.902 2.315 1.00 43.24 C ATOM 30 O GLY A 3 -18.047 3.262 3.139 1.00 34.51 O ATOM 0 H GLY A 3 -14.805 2.238 3.244 1.00 61.12 H new ATOM 0 HA2 GLY A 3 -15.397 4.550 1.829 1.00 63.02 H new ATOM 0 HA3 GLY A 3 -15.758 2.912 1.320 1.00 63.02 H new ATOM 34 N ALA A 4 -17.895 4.853 1.539 1.00 32.15 N ATOM 35 CA ALA A 4 -19.300 5.216 1.610 1.00 73.33 C ATOM 36 C ALA A 4 -20.152 3.945 1.595 1.00 11.11 C ATOM 37 O ALA A 4 -20.639 3.507 2.636 1.00 63.13 O ATOM 38 CB ALA A 4 -19.642 6.161 0.457 1.00 73.40 C ATOM 0 H ALA A 4 -17.351 5.383 0.858 1.00 32.15 H new ATOM 0 HA ALA A 4 -19.513 5.745 2.539 1.00 73.33 H new ATOM 0 HB1 ALA A 4 -20.696 6.433 0.510 1.00 73.40 H new ATOM 0 HB2 ALA A 4 -19.031 7.060 0.530 1.00 73.40 H new ATOM 0 HB3 ALA A 4 -19.443 5.664 -0.492 1.00 73.40 H new ATOM 44 N PHE A 5 -20.307 3.388 0.403 1.00 12.34 N ATOM 45 CA PHE A 5 -21.092 2.177 0.238 1.00 72.12 C ATOM 46 C PHE A 5 -20.239 0.932 0.493 1.00 52.11 C ATOM 47 O PHE A 5 -20.515 0.163 1.413 1.00 25.32 O ATOM 48 CB PHE A 5 -21.583 2.156 -1.210 1.00 34.15 C ATOM 49 CG PHE A 5 -22.067 3.513 -1.722 1.00 3.43 C ATOM 50 CD1 PHE A 5 -21.304 4.219 -2.600 1.00 24.33 C ATOM 51 CD2 PHE A 5 -23.259 4.014 -1.301 1.00 35.23 C ATOM 52 CE1 PHE A 5 -21.754 5.479 -3.076 1.00 43.31 C ATOM 53 CE2 PHE A 5 -23.709 5.273 -1.778 1.00 44.40 C ATOM 54 CZ PHE A 5 -22.946 5.981 -2.655 1.00 74.31 C ATOM 0 H PHE A 5 -19.902 3.754 -0.459 1.00 12.34 H new ATOM 0 HA PHE A 5 -21.919 2.170 0.948 1.00 72.12 H new ATOM 0 HB2 PHE A 5 -20.775 1.804 -1.852 1.00 34.15 H new ATOM 0 HB3 PHE A 5 -22.396 1.435 -1.297 1.00 34.15 H new ATOM 0 HD1 PHE A 5 -20.357 3.822 -2.935 1.00 24.33 H new ATOM 0 HD2 PHE A 5 -23.864 3.454 -0.603 1.00 35.23 H new ATOM 0 HE1 PHE A 5 -21.149 6.039 -3.773 1.00 43.31 H new ATOM 0 HE2 PHE A 5 -24.657 5.669 -1.445 1.00 44.40 H new ATOM 0 HZ PHE A 5 -23.287 6.940 -3.016 1.00 74.31 H new ATOM 64 N GLY A 6 -19.220 0.772 -0.338 1.00 42.05 N ATOM 65 CA GLY A 6 -18.325 -0.366 -0.214 1.00 63.03 C ATOM 66 C GLY A 6 -17.212 -0.306 -1.263 1.00 25.33 C ATOM 67 O GLY A 6 -16.033 -0.396 -0.928 1.00 41.43 O ATOM 0 H GLY A 6 -18.994 1.411 -1.100 1.00 42.05 H new ATOM 0 HA2 GLY A 6 -17.888 -0.382 0.784 1.00 63.03 H new ATOM 0 HA3 GLY A 6 -18.889 -1.291 -0.330 1.00 63.03 H new ATOM 71 N LEU A 7 -17.629 -0.154 -2.512 1.00 72.41 N ATOM 72 CA LEU A 7 -16.683 -0.081 -3.613 1.00 71.35 C ATOM 73 C LEU A 7 -15.976 1.275 -3.582 1.00 3.34 C ATOM 74 O LEU A 7 -14.935 1.452 -4.213 1.00 13.24 O ATOM 75 CB LEU A 7 -17.381 -0.382 -4.940 1.00 61.24 C ATOM 76 CG LEU A 7 -16.490 -0.931 -6.057 1.00 20.12 C ATOM 77 CD1 LEU A 7 -16.306 -2.443 -5.918 1.00 4.30 C ATOM 78 CD2 LEU A 7 -17.036 -0.544 -7.433 1.00 5.22 C ATOM 0 H LEU A 7 -18.609 -0.079 -2.786 1.00 72.41 H new ATOM 0 HA LEU A 7 -15.913 -0.845 -3.506 1.00 71.35 H new ATOM 0 HB2 LEU A 7 -18.179 -1.100 -4.753 1.00 61.24 H new ATOM 0 HB3 LEU A 7 -17.853 0.534 -5.296 1.00 61.24 H new ATOM 0 HG LEU A 7 -15.504 -0.477 -5.962 1.00 20.12 H new ATOM 0 HD11 LEU A 7 -15.669 -2.808 -6.724 1.00 4.30 H new ATOM 0 HD12 LEU A 7 -15.840 -2.666 -4.958 1.00 4.30 H new ATOM 0 HD13 LEU A 7 -17.277 -2.934 -5.973 1.00 4.30 H new ATOM 0 HD21 LEU A 7 -16.385 -0.946 -8.209 1.00 5.22 H new ATOM 0 HD22 LEU A 7 -18.040 -0.952 -7.554 1.00 5.22 H new ATOM 0 HD23 LEU A 7 -17.073 0.542 -7.517 1.00 5.22 H new ATOM 90 N LEU A 8 -16.571 2.200 -2.842 1.00 52.10 N ATOM 91 CA LEU A 8 -16.012 3.536 -2.722 1.00 44.23 C ATOM 92 C LEU A 8 -14.775 3.488 -1.823 1.00 34.51 C ATOM 93 O LEU A 8 -14.010 4.448 -1.761 1.00 61.34 O ATOM 94 CB LEU A 8 -17.079 4.523 -2.246 1.00 2.03 C ATOM 95 CG LEU A 8 -17.276 5.768 -3.114 1.00 5.41 C ATOM 96 CD1 LEU A 8 -15.937 6.450 -3.406 1.00 31.24 C ATOM 97 CD2 LEU A 8 -18.037 5.429 -4.396 1.00 32.54 C ATOM 0 H LEU A 8 -17.434 2.050 -2.320 1.00 52.10 H new ATOM 0 HA LEU A 8 -15.685 3.900 -3.696 1.00 44.23 H new ATOM 0 HB2 LEU A 8 -18.031 3.995 -2.181 1.00 2.03 H new ATOM 0 HB3 LEU A 8 -16.823 4.845 -1.236 1.00 2.03 H new ATOM 0 HG LEU A 8 -17.886 6.479 -2.557 1.00 5.41 H new ATOM 0 HD11 LEU A 8 -16.105 7.332 -4.024 1.00 31.24 H new ATOM 0 HD12 LEU A 8 -15.469 6.748 -2.468 1.00 31.24 H new ATOM 0 HD13 LEU A 8 -15.283 5.756 -3.934 1.00 31.24 H new ATOM 0 HD21 LEU A 8 -18.163 6.332 -4.994 1.00 32.54 H new ATOM 0 HD22 LEU A 8 -17.475 4.690 -4.968 1.00 32.54 H new ATOM 0 HD23 LEU A 8 -19.016 5.023 -4.141 1.00 32.54 H new ATOM 109 N GLY A 9 -14.618 2.358 -1.148 1.00 74.22 N ATOM 110 CA GLY A 9 -13.487 2.171 -0.255 1.00 64.04 C ATOM 111 C GLY A 9 -12.659 0.953 -0.665 1.00 14.43 C ATOM 112 O GLY A 9 -11.774 0.521 0.073 1.00 2.14 O ATOM 0 H GLY A 9 -15.255 1.563 -1.202 1.00 74.22 H new ATOM 0 HA2 GLY A 9 -12.859 3.062 -0.266 1.00 64.04 H new ATOM 0 HA3 GLY A 9 -13.844 2.045 0.767 1.00 64.04 H new ATOM 116 N PHE A 10 -12.974 0.432 -1.842 1.00 10.23 N ATOM 117 CA PHE A 10 -12.270 -0.729 -2.360 1.00 22.42 C ATOM 118 C PHE A 10 -10.772 -0.448 -2.491 1.00 43.13 C ATOM 119 O PHE A 10 -9.946 -1.274 -2.107 1.00 61.13 O ATOM 120 CB PHE A 10 -12.845 -1.018 -3.748 1.00 32.13 C ATOM 121 CG PHE A 10 -12.530 -2.421 -4.273 1.00 42.23 C ATOM 122 CD1 PHE A 10 -11.848 -2.572 -5.440 1.00 70.44 C ATOM 123 CD2 PHE A 10 -12.932 -3.514 -3.572 1.00 55.32 C ATOM 124 CE1 PHE A 10 -11.555 -3.873 -5.926 1.00 33.42 C ATOM 125 CE2 PHE A 10 -12.638 -4.816 -4.058 1.00 3.34 C ATOM 126 CZ PHE A 10 -11.956 -4.968 -5.226 1.00 20.23 C ATOM 0 H PHE A 10 -13.708 0.793 -2.452 1.00 10.23 H new ATOM 0 HA PHE A 10 -12.397 -1.574 -1.683 1.00 22.42 H new ATOM 0 HB2 PHE A 10 -13.927 -0.888 -3.716 1.00 32.13 H new ATOM 0 HB3 PHE A 10 -12.456 -0.282 -4.452 1.00 32.13 H new ATOM 0 HD1 PHE A 10 -11.530 -1.703 -5.996 1.00 70.44 H new ATOM 0 HD2 PHE A 10 -13.475 -3.393 -2.646 1.00 55.32 H new ATOM 0 HE1 PHE A 10 -11.013 -3.994 -6.852 1.00 33.42 H new ATOM 0 HE2 PHE A 10 -12.956 -5.685 -3.501 1.00 3.34 H new ATOM 0 HZ PHE A 10 -11.733 -5.958 -5.597 1.00 20.23 H new ATOM 136 N LEU A 11 -10.467 0.722 -3.035 1.00 70.14 N ATOM 137 CA LEU A 11 -9.083 1.122 -3.220 1.00 14.43 C ATOM 138 C LEU A 11 -8.435 1.352 -1.854 1.00 72.05 C ATOM 139 O LEU A 11 -7.305 0.924 -1.619 1.00 72.33 O ATOM 140 CB LEU A 11 -8.995 2.332 -4.154 1.00 73.03 C ATOM 141 CG LEU A 11 -9.047 2.028 -5.652 1.00 62.32 C ATOM 142 CD1 LEU A 11 -7.666 1.639 -6.181 1.00 4.51 C ATOM 143 CD2 LEU A 11 -10.099 0.960 -5.959 1.00 30.40 C ATOM 0 H LEU A 11 -11.155 1.405 -3.353 1.00 70.14 H new ATOM 0 HA LEU A 11 -8.520 0.328 -3.710 1.00 14.43 H new ATOM 0 HB2 LEU A 11 -9.812 3.012 -3.913 1.00 73.03 H new ATOM 0 HB3 LEU A 11 -8.066 2.862 -3.943 1.00 73.03 H new ATOM 0 HG LEU A 11 -9.348 2.936 -6.174 1.00 62.32 H new ATOM 0 HD11 LEU A 11 -7.731 1.428 -7.248 1.00 4.51 H new ATOM 0 HD12 LEU A 11 -6.968 2.460 -6.015 1.00 4.51 H new ATOM 0 HD13 LEU A 11 -7.312 0.751 -5.657 1.00 4.51 H new ATOM 0 HD21 LEU A 11 -10.115 0.763 -7.031 1.00 30.40 H new ATOM 0 HD22 LEU A 11 -9.853 0.042 -5.425 1.00 30.40 H new ATOM 0 HD23 LEU A 11 -11.080 1.313 -5.640 1.00 30.40 H new ATOM 155 N ALA A 12 -9.177 2.026 -0.988 1.00 54.44 N ATOM 156 CA ALA A 12 -8.688 2.317 0.349 1.00 4.13 C ATOM 157 C ALA A 12 -8.229 1.018 1.014 1.00 53.23 C ATOM 158 O ALA A 12 -7.250 1.011 1.758 1.00 55.24 O ATOM 159 CB ALA A 12 -9.783 3.026 1.149 1.00 60.25 C ATOM 0 H ALA A 12 -10.113 2.379 -1.186 1.00 54.44 H new ATOM 0 HA ALA A 12 -7.829 2.986 0.306 1.00 4.13 H new ATOM 0 HB1 ALA A 12 -9.417 3.245 2.152 1.00 60.25 H new ATOM 0 HB2 ALA A 12 -10.053 3.957 0.650 1.00 60.25 H new ATOM 0 HB3 ALA A 12 -10.660 2.382 1.215 1.00 60.25 H new ATOM 165 N ALA A 13 -8.957 -0.049 0.721 1.00 23.12 N ATOM 166 CA ALA A 13 -8.636 -1.351 1.281 1.00 62.13 C ATOM 167 C ALA A 13 -7.202 -1.725 0.901 1.00 32.21 C ATOM 168 O ALA A 13 -6.445 -2.221 1.734 1.00 42.14 O ATOM 169 CB ALA A 13 -9.656 -2.382 0.794 1.00 23.21 C ATOM 0 H ALA A 13 -9.768 -0.039 0.103 1.00 23.12 H new ATOM 0 HA ALA A 13 -8.693 -1.325 2.369 1.00 62.13 H new ATOM 0 HB1 ALA A 13 -9.415 -3.359 1.214 1.00 23.21 H new ATOM 0 HB2 ALA A 13 -10.655 -2.085 1.115 1.00 23.21 H new ATOM 0 HB3 ALA A 13 -9.626 -2.438 -0.294 1.00 23.21 H new ATOM 175 N GLY A 14 -6.871 -1.473 -0.357 1.00 60.34 N ATOM 176 CA GLY A 14 -5.542 -1.777 -0.857 1.00 42.33 C ATOM 177 C GLY A 14 -4.499 -0.837 -0.247 1.00 3.45 C ATOM 178 O GLY A 14 -3.356 -1.233 -0.026 1.00 44.40 O ATOM 0 H GLY A 14 -7.501 -1.061 -1.045 1.00 60.34 H new ATOM 0 HA2 GLY A 14 -5.288 -2.810 -0.621 1.00 42.33 H new ATOM 0 HA3 GLY A 14 -5.528 -1.686 -1.943 1.00 42.33 H new ATOM 182 N SER A 15 -4.931 0.389 0.005 1.00 44.52 N ATOM 183 CA SER A 15 -4.049 1.389 0.584 1.00 2.20 C ATOM 184 C SER A 15 -3.969 1.201 2.100 1.00 52.03 C ATOM 185 O SER A 15 -3.327 1.989 2.793 1.00 61.11 O ATOM 186 CB SER A 15 -4.525 2.804 0.249 1.00 2.43 C ATOM 187 OG SER A 15 -5.144 3.437 1.365 1.00 43.54 O ATOM 0 H SER A 15 -5.880 0.713 -0.181 1.00 44.52 H new ATOM 0 HA SER A 15 -3.056 1.258 0.155 1.00 2.20 H new ATOM 0 HB2 SER A 15 -3.677 3.403 -0.083 1.00 2.43 H new ATOM 0 HB3 SER A 15 -5.230 2.762 -0.581 1.00 2.43 H new ATOM 0 HG SER A 15 -5.433 4.339 1.111 1.00 43.54 H new ATOM 193 N LYS A 16 -4.628 0.153 2.569 1.00 61.52 N ATOM 194 CA LYS A 16 -4.640 -0.149 3.991 1.00 44.22 C ATOM 195 C LYS A 16 -3.216 -0.466 4.452 1.00 52.10 C ATOM 196 O LYS A 16 -2.919 -0.413 5.644 1.00 73.34 O ATOM 197 CB LYS A 16 -5.646 -1.260 4.295 1.00 72.01 C ATOM 198 CG LYS A 16 -5.032 -2.639 4.045 1.00 42.03 C ATOM 199 CD LYS A 16 -4.528 -3.259 5.350 1.00 54.31 C ATOM 200 CE LYS A 16 -5.362 -4.482 5.736 1.00 4.14 C ATOM 201 NZ LYS A 16 -4.546 -5.714 5.650 1.00 44.11 N ATOM 0 H LYS A 16 -5.158 -0.498 1.990 1.00 61.52 H new ATOM 0 HA LYS A 16 -4.975 0.717 4.561 1.00 44.22 H new ATOM 0 HB2 LYS A 16 -5.973 -1.186 5.332 1.00 72.01 H new ATOM 0 HB3 LYS A 16 -6.532 -1.134 3.672 1.00 72.01 H new ATOM 0 HG2 LYS A 16 -5.774 -3.294 3.590 1.00 42.03 H new ATOM 0 HG3 LYS A 16 -4.207 -2.551 3.338 1.00 42.03 H new ATOM 0 HD2 LYS A 16 -3.483 -3.548 5.239 1.00 54.31 H new ATOM 0 HD3 LYS A 16 -4.571 -2.519 6.149 1.00 54.31 H new ATOM 0 HE2 LYS A 16 -5.746 -4.363 6.749 1.00 4.14 H new ATOM 0 HE3 LYS A 16 -6.225 -4.564 5.076 1.00 4.14 H new ATOM 0 HZ1 LYS A 16 -5.127 -6.535 5.915 1.00 44.11 H new ATOM 0 HZ2 LYS A 16 -4.201 -5.834 4.676 1.00 44.11 H new ATOM 0 HZ3 LYS A 16 -3.736 -5.640 6.298 1.00 44.11 H new ATOM 214 N LYS A 17 -2.372 -0.788 3.483 1.00 35.31 N ATOM 215 CA LYS A 17 -0.986 -1.114 3.774 1.00 74.13 C ATOM 216 C LYS A 17 -0.156 0.171 3.785 1.00 0.34 C ATOM 217 O LYS A 17 0.438 0.522 4.802 1.00 63.12 O ATOM 218 CB LYS A 17 -0.468 -2.173 2.800 1.00 22.43 C ATOM 219 CG LYS A 17 -1.039 -3.552 3.134 1.00 30.33 C ATOM 220 CD LYS A 17 -0.034 -4.384 3.933 1.00 51.11 C ATOM 221 CE LYS A 17 0.001 -5.830 3.434 1.00 33.44 C ATOM 222 NZ LYS A 17 0.218 -6.762 4.563 1.00 55.31 N ATOM 0 H LYS A 17 -2.621 -0.830 2.495 1.00 35.31 H new ATOM 0 HA LYS A 17 -0.899 -1.558 4.766 1.00 74.13 H new ATOM 0 HB2 LYS A 17 -0.741 -1.899 1.781 1.00 22.43 H new ATOM 0 HB3 LYS A 17 0.621 -2.207 2.840 1.00 22.43 H new ATOM 0 HG2 LYS A 17 -1.960 -3.439 3.707 1.00 30.33 H new ATOM 0 HG3 LYS A 17 -1.298 -4.075 2.213 1.00 30.33 H new ATOM 0 HD2 LYS A 17 0.959 -3.942 3.848 1.00 51.11 H new ATOM 0 HD3 LYS A 17 -0.301 -4.367 4.990 1.00 51.11 H new ATOM 0 HE2 LYS A 17 -0.936 -6.070 2.931 1.00 33.44 H new ATOM 0 HE3 LYS A 17 0.797 -5.948 2.699 1.00 33.44 H new ATOM 0 HZ1 LYS A 17 0.239 -7.739 4.207 1.00 55.31 H new ATOM 0 HZ2 LYS A 17 1.123 -6.542 5.026 1.00 55.31 H new ATOM 0 HZ3 LYS A 17 -0.556 -6.661 5.251 1.00 55.31 H new HETATM 235 C1 ACA A 18 3.940 5.482 1.554 1.00 53.23 C HETATM 236 O1 ACA A 18 4.030 6.396 2.372 1.00 52.15 O HETATM 237 C2 ACA A 18 2.788 4.717 2.082 1.00 5.21 C HETATM 238 C3 ACA A 18 1.589 4.837 1.138 1.00 72.13 C HETATM 239 C4 ACA A 18 0.286 4.494 1.863 1.00 24.04 C HETATM 240 C5 ACA A 18 -0.134 3.050 1.582 1.00 75.13 C HETATM 241 C6 ACA A 18 0.606 2.076 2.503 1.00 33.12 C HETATM 242 N6 ACA A 18 -0.142 0.838 2.639 1.00 35.12 N HETATM 0 HN61 ACA A 18 -1.030 0.722 2.150 1.00 35.12 H new HETATM 0 H62 ACA A 18 1.597 1.867 2.100 1.00 33.12 H new HETATM 0 H61 ACA A 18 0.750 2.531 3.483 1.00 33.12 H new HETATM 0 H52 ACA A 18 -1.210 2.946 1.725 1.00 75.13 H new HETATM 0 H51 ACA A 18 0.075 2.802 0.541 1.00 75.13 H new HETATM 0 H42 ACA A 18 0.414 4.637 2.936 1.00 24.04 H new HETATM 0 H41 ACA A 18 -0.503 5.175 1.543 1.00 24.04 H new HETATM 0 H32 ACA A 18 1.533 5.851 0.742 1.00 72.13 H new HETATM 0 H31 ACA A 18 1.723 4.169 0.287 1.00 72.13 H new HETATM 0 H22 ACA A 18 3.063 3.669 2.200 1.00 5.21 H new HETATM 0 H21 ACA A 18 2.519 5.089 3.071 1.00 5.21 H new ATOM 254 N LYS A 19 4.942 4.689 1.201 1.00 45.25 N ATOM 255 CA LYS A 19 6.266 4.854 1.779 1.00 63.01 C ATOM 256 C LYS A 19 7.293 5.004 0.655 1.00 73.32 C ATOM 257 O LYS A 19 7.503 6.103 0.144 1.00 52.13 O ATOM 258 CB LYS A 19 6.574 3.709 2.745 1.00 73.41 C ATOM 259 CG LYS A 19 5.631 3.738 3.950 1.00 32.51 C ATOM 260 CD LYS A 19 5.613 2.386 4.666 1.00 41.23 C ATOM 261 CE LYS A 19 7.000 2.036 5.209 1.00 52.20 C ATOM 262 NZ LYS A 19 6.914 1.639 6.632 1.00 73.24 N ATOM 0 HA LYS A 19 6.311 5.765 2.376 1.00 63.01 H new ATOM 0 HB2 LYS A 19 6.477 2.755 2.226 1.00 73.41 H new ATOM 0 HB3 LYS A 19 7.607 3.784 3.085 1.00 73.41 H new ATOM 0 HG2 LYS A 19 5.946 4.517 4.644 1.00 32.51 H new ATOM 0 HG3 LYS A 19 4.623 3.993 3.622 1.00 32.51 H new ATOM 0 HD2 LYS A 19 4.894 2.413 5.485 1.00 41.23 H new ATOM 0 HD3 LYS A 19 5.282 1.609 3.977 1.00 41.23 H new ATOM 0 HE2 LYS A 19 7.432 1.224 4.624 1.00 52.20 H new ATOM 0 HE3 LYS A 19 7.665 2.893 5.104 1.00 52.20 H new ATOM 0 HZ1 LYS A 19 7.864 1.405 6.985 1.00 73.24 H new ATOM 0 HZ2 LYS A 19 6.522 2.425 7.189 1.00 73.24 H new ATOM 0 HZ3 LYS A 19 6.296 0.808 6.724 1.00 73.24 H new ATOM 275 N ASN A 20 7.907 3.883 0.304 1.00 20.55 N ATOM 276 CA ASN A 20 8.907 3.876 -0.749 1.00 3.42 C ATOM 277 C ASN A 20 8.440 2.963 -1.885 1.00 4.10 C ATOM 278 O ASN A 20 7.846 3.428 -2.857 1.00 45.45 O ATOM 279 CB ASN A 20 10.246 3.343 -0.234 1.00 3.04 C ATOM 280 CG ASN A 20 11.163 4.489 0.197 1.00 3.14 C ATOM 281 OD1 ASN A 20 10.746 5.450 0.824 1.00 10.13 O ATOM 282 ND2 ASN A 20 12.431 4.336 -0.174 1.00 74.43 N ATOM 0 H ASN A 20 7.731 2.973 0.731 1.00 20.55 H new ATOM 0 HA ASN A 20 9.037 4.901 -1.097 1.00 3.42 H new ATOM 0 HB2 ASN A 20 10.075 2.673 0.608 1.00 3.04 H new ATOM 0 HB3 ASN A 20 10.732 2.757 -1.014 1.00 3.04 H new ATOM 0 HD21 ASN A 20 13.122 5.048 0.065 1.00 74.43 H new ATOM 0 HD22 ASN A 20 12.713 3.507 -0.697 1.00 74.43 H new ATOM 289 N GLU A 21 8.725 1.679 -1.723 1.00 25.24 N ATOM 290 CA GLU A 21 8.341 0.696 -2.723 1.00 42.03 C ATOM 291 C GLU A 21 6.857 0.349 -2.583 1.00 14.52 C ATOM 292 O GLU A 21 6.187 0.064 -3.575 1.00 45.11 O ATOM 293 CB GLU A 21 9.209 -0.558 -2.620 1.00 13.20 C ATOM 294 CG GLU A 21 9.199 -1.117 -1.196 1.00 75.41 C ATOM 295 CD GLU A 21 10.604 -1.103 -0.590 1.00 14.22 C ATOM 296 OE1 GLU A 21 10.829 -0.449 0.439 1.00 13.41 O ATOM 297 OE2 GLU A 21 11.479 -1.805 -1.227 1.00 5.21 O ATOM 0 H GLU A 21 9.217 1.297 -0.915 1.00 25.24 H new ATOM 0 HA GLU A 21 8.502 1.129 -3.710 1.00 42.03 H new ATOM 0 HB2 GLU A 21 8.844 -1.315 -3.314 1.00 13.20 H new ATOM 0 HB3 GLU A 21 10.232 -0.322 -2.915 1.00 13.20 H new ATOM 0 HG2 GLU A 21 8.526 -0.527 -0.575 1.00 75.41 H new ATOM 0 HG3 GLU A 21 8.813 -2.136 -1.205 1.00 75.41 H new ATOM 305 N GLN A 22 6.388 0.384 -1.345 1.00 33.40 N ATOM 306 CA GLN A 22 4.997 0.076 -1.063 1.00 24.23 C ATOM 307 C GLN A 22 4.079 0.826 -2.032 1.00 51.53 C ATOM 308 O GLN A 22 3.157 0.242 -2.597 1.00 31.43 O ATOM 309 CB GLN A 22 4.645 0.406 0.389 1.00 11.12 C ATOM 310 CG GLN A 22 4.059 -0.814 1.103 1.00 12.40 C ATOM 311 CD GLN A 22 5.045 -1.373 2.131 1.00 74.10 C ATOM 312 OE1 GLN A 22 4.718 -1.593 3.286 1.00 33.02 O ATOM 313 NE2 GLN A 22 6.266 -1.589 1.649 1.00 20.44 N ATOM 0 H GLN A 22 6.947 0.621 -0.525 1.00 33.40 H new ATOM 0 HA GLN A 22 4.848 -0.994 -1.205 1.00 24.23 H new ATOM 0 HB2 GLN A 22 5.537 0.746 0.915 1.00 11.12 H new ATOM 0 HB3 GLN A 22 3.928 1.226 0.415 1.00 11.12 H new ATOM 0 HG2 GLN A 22 3.129 -0.538 1.599 1.00 12.40 H new ATOM 0 HG3 GLN A 22 3.814 -1.585 0.372 1.00 12.40 H new ATOM 0 HE21 GLN A 22 6.472 -1.383 0.672 1.00 20.44 H new ATOM 0 HE22 GLN A 22 6.996 -1.961 2.257 1.00 20.44 H new ATOM 322 N GLU A 23 4.368 2.109 -2.196 1.00 74.41 N ATOM 323 CA GLU A 23 3.581 2.945 -3.087 1.00 14.12 C ATOM 324 C GLU A 23 3.750 2.481 -4.536 1.00 73.25 C ATOM 325 O GLU A 23 2.789 2.468 -5.304 1.00 23.31 O ATOM 326 CB GLU A 23 3.961 4.418 -2.935 1.00 3.43 C ATOM 327 CG GLU A 23 2.889 5.326 -3.540 1.00 24.54 C ATOM 328 CD GLU A 23 3.170 6.796 -3.220 1.00 42.21 C ATOM 329 OE1 GLU A 23 3.893 7.093 -2.257 1.00 62.01 O ATOM 330 OE2 GLU A 23 2.609 7.644 -4.013 1.00 63.02 O ATOM 0 H GLU A 23 5.136 2.590 -1.727 1.00 74.41 H new ATOM 0 HA GLU A 23 2.530 2.846 -2.814 1.00 14.12 H new ATOM 0 HB2 GLU A 23 4.091 4.657 -1.879 1.00 3.43 H new ATOM 0 HB3 GLU A 23 4.917 4.603 -3.424 1.00 3.43 H new ATOM 0 HG2 GLU A 23 2.856 5.185 -4.620 1.00 24.54 H new ATOM 0 HG3 GLU A 23 1.909 5.047 -3.152 1.00 24.54 H new ATOM 338 N LEU A 24 4.979 2.111 -4.866 1.00 42.01 N ATOM 339 CA LEU A 24 5.286 1.649 -6.209 1.00 71.22 C ATOM 340 C LEU A 24 4.219 0.647 -6.654 1.00 2.41 C ATOM 341 O LEU A 24 3.673 0.764 -7.751 1.00 41.12 O ATOM 342 CB LEU A 24 6.712 1.097 -6.272 1.00 2.32 C ATOM 343 CG LEU A 24 7.442 1.276 -7.605 1.00 20.14 C ATOM 344 CD1 LEU A 24 6.520 0.949 -8.783 1.00 61.43 C ATOM 345 CD2 LEU A 24 8.041 2.679 -7.719 1.00 62.13 C ATOM 0 H LEU A 24 5.774 2.122 -4.227 1.00 42.01 H new ATOM 0 HA LEU A 24 5.259 2.480 -6.914 1.00 71.22 H new ATOM 0 HB2 LEU A 24 7.301 1.577 -5.490 1.00 2.32 H new ATOM 0 HB3 LEU A 24 6.679 0.033 -6.038 1.00 2.32 H new ATOM 0 HG LEU A 24 8.271 0.569 -7.638 1.00 20.14 H new ATOM 0 HD11 LEU A 24 7.063 1.084 -9.718 1.00 61.43 H new ATOM 0 HD12 LEU A 24 6.183 -0.085 -8.705 1.00 61.43 H new ATOM 0 HD13 LEU A 24 5.657 1.614 -8.765 1.00 61.43 H new ATOM 0 HD21 LEU A 24 8.554 2.779 -8.676 1.00 62.13 H new ATOM 0 HD22 LEU A 24 7.245 3.421 -7.655 1.00 62.13 H new ATOM 0 HD23 LEU A 24 8.752 2.838 -6.908 1.00 62.13 H new ATOM 357 N LEU A 25 3.954 -0.315 -5.782 1.00 5.03 N ATOM 358 CA LEU A 25 2.962 -1.336 -6.073 1.00 4.33 C ATOM 359 C LEU A 25 1.595 -0.675 -6.257 1.00 51.13 C ATOM 360 O LEU A 25 0.777 -1.142 -7.048 1.00 62.03 O ATOM 361 CB LEU A 25 2.981 -2.422 -4.996 1.00 24.21 C ATOM 362 CG LEU A 25 4.281 -3.217 -4.866 1.00 12.35 C ATOM 363 CD1 LEU A 25 5.144 -3.065 -6.121 1.00 23.54 C ATOM 364 CD2 LEU A 25 5.040 -2.823 -3.598 1.00 14.20 C ATOM 0 H LEU A 25 4.409 -0.409 -4.874 1.00 5.03 H new ATOM 0 HA LEU A 25 3.199 -1.843 -7.008 1.00 4.33 H new ATOM 0 HB2 LEU A 25 2.766 -1.956 -4.034 1.00 24.21 H new ATOM 0 HB3 LEU A 25 2.170 -3.121 -5.199 1.00 24.21 H new ATOM 0 HG LEU A 25 4.028 -4.273 -4.775 1.00 12.35 H new ATOM 0 HD11 LEU A 25 6.062 -3.640 -6.003 1.00 23.54 H new ATOM 0 HD12 LEU A 25 4.594 -3.433 -6.987 1.00 23.54 H new ATOM 0 HD13 LEU A 25 5.391 -2.013 -6.268 1.00 23.54 H new ATOM 0 HD21 LEU A 25 5.960 -3.403 -3.530 1.00 14.20 H new ATOM 0 HD22 LEU A 25 5.282 -1.761 -3.634 1.00 14.20 H new ATOM 0 HD23 LEU A 25 4.419 -3.024 -2.725 1.00 14.20 H new ATOM 376 N GLU A 26 1.389 0.402 -5.514 1.00 40.13 N ATOM 377 CA GLU A 26 0.134 1.132 -5.585 1.00 42.33 C ATOM 378 C GLU A 26 -0.053 1.731 -6.981 1.00 55.05 C ATOM 379 O GLU A 26 -1.153 1.700 -7.530 1.00 40.03 O ATOM 380 CB GLU A 26 0.070 2.218 -4.510 1.00 63.04 C ATOM 381 CG GLU A 26 -1.349 2.359 -3.955 1.00 23.12 C ATOM 382 CD GLU A 26 -1.570 3.751 -3.360 1.00 2.52 C ATOM 383 OE1 GLU A 26 -1.249 3.981 -2.185 1.00 11.43 O ATOM 384 OE2 GLU A 26 -2.095 4.612 -4.166 1.00 35.34 O ATOM 0 H GLU A 26 2.070 0.787 -4.860 1.00 40.13 H new ATOM 0 HA GLU A 26 -0.681 0.433 -5.398 1.00 42.33 H new ATOM 0 HB2 GLU A 26 0.758 1.974 -3.701 1.00 63.04 H new ATOM 0 HB3 GLU A 26 0.396 3.170 -4.930 1.00 63.04 H new ATOM 0 HG2 GLU A 26 -2.073 2.180 -4.750 1.00 23.12 H new ATOM 0 HG3 GLU A 26 -1.521 1.601 -3.190 1.00 23.12 H new ATOM 392 N LEU A 27 1.038 2.261 -7.513 1.00 31.04 N ATOM 393 CA LEU A 27 1.008 2.865 -8.834 1.00 4.34 C ATOM 394 C LEU A 27 1.021 1.763 -9.895 1.00 53.41 C ATOM 395 O LEU A 27 0.507 1.950 -10.997 1.00 63.04 O ATOM 396 CB LEU A 27 2.143 3.879 -8.985 1.00 14.52 C ATOM 397 CG LEU A 27 2.046 5.132 -8.114 1.00 73.43 C ATOM 398 CD1 LEU A 27 1.643 6.351 -8.946 1.00 15.33 C ATOM 399 CD2 LEU A 27 1.097 4.906 -6.933 1.00 10.34 C ATOM 0 H LEU A 27 1.948 2.285 -7.053 1.00 31.04 H new ATOM 0 HA LEU A 27 0.087 3.430 -8.974 1.00 4.34 H new ATOM 0 HB2 LEU A 27 3.084 3.377 -8.760 1.00 14.52 H new ATOM 0 HB3 LEU A 27 2.189 4.189 -10.029 1.00 14.52 H new ATOM 0 HG LEU A 27 3.034 5.337 -7.701 1.00 73.43 H new ATOM 0 HD11 LEU A 27 1.582 7.228 -8.301 1.00 15.33 H new ATOM 0 HD12 LEU A 27 2.388 6.524 -9.723 1.00 15.33 H new ATOM 0 HD13 LEU A 27 0.672 6.172 -9.408 1.00 15.33 H new ATOM 0 HD21 LEU A 27 1.046 5.812 -6.329 1.00 10.34 H new ATOM 0 HD22 LEU A 27 0.103 4.662 -7.307 1.00 10.34 H new ATOM 0 HD23 LEU A 27 1.467 4.083 -6.322 1.00 10.34 H new ATOM 411 N ASP A 28 1.616 0.638 -9.527 1.00 63.24 N ATOM 412 CA ASP A 28 1.703 -0.495 -10.433 1.00 41.13 C ATOM 413 C ASP A 28 0.294 -0.987 -10.764 1.00 73.33 C ATOM 414 O ASP A 28 0.090 -1.666 -11.769 1.00 4.24 O ATOM 415 CB ASP A 28 2.472 -1.654 -9.794 1.00 64.14 C ATOM 416 CG ASP A 28 3.280 -2.510 -10.770 1.00 5.43 C ATOM 417 OD1 ASP A 28 4.121 -1.998 -11.524 1.00 25.31 O ATOM 418 OD2 ASP A 28 3.013 -3.772 -10.737 1.00 2.21 O ATOM 0 H ASP A 28 2.043 0.487 -8.613 1.00 63.24 H new ATOM 0 HA ASP A 28 2.226 -0.168 -11.332 1.00 41.13 H new ATOM 0 HB2 ASP A 28 3.150 -1.250 -9.042 1.00 64.14 H new ATOM 0 HB3 ASP A 28 1.763 -2.296 -9.272 1.00 64.14 H new ATOM 424 N LYS A 29 -0.643 -0.627 -9.898 1.00 32.34 N ATOM 425 CA LYS A 29 -2.028 -1.024 -10.087 1.00 61.02 C ATOM 426 C LYS A 29 -2.673 -0.125 -11.143 1.00 14.22 C ATOM 427 O LYS A 29 -3.846 -0.292 -11.474 1.00 73.23 O ATOM 428 CB LYS A 29 -2.770 -1.031 -8.748 1.00 5.34 C ATOM 429 CG LYS A 29 -2.237 -2.132 -7.831 1.00 62.33 C ATOM 430 CD LYS A 29 -3.024 -3.431 -8.017 1.00 1.34 C ATOM 431 CE LYS A 29 -4.007 -3.645 -6.865 1.00 33.34 C ATOM 432 NZ LYS A 29 -3.388 -4.468 -5.802 1.00 24.10 N ATOM 0 H LYS A 29 -0.470 -0.065 -9.064 1.00 32.34 H new ATOM 0 HA LYS A 29 -2.084 -2.046 -10.462 1.00 61.02 H new ATOM 0 HB2 LYS A 29 -2.658 -0.062 -8.261 1.00 5.34 H new ATOM 0 HB3 LYS A 29 -3.836 -1.180 -8.920 1.00 5.34 H new ATOM 0 HG2 LYS A 29 -1.183 -2.308 -8.044 1.00 62.33 H new ATOM 0 HG3 LYS A 29 -2.303 -1.808 -6.792 1.00 62.33 H new ATOM 0 HD2 LYS A 29 -3.567 -3.400 -8.962 1.00 1.34 H new ATOM 0 HD3 LYS A 29 -2.335 -4.273 -8.073 1.00 1.34 H new ATOM 0 HE2 LYS A 29 -4.312 -2.682 -6.456 1.00 33.34 H new ATOM 0 HE3 LYS A 29 -4.908 -4.135 -7.234 1.00 33.34 H new ATOM 0 HZ1 LYS A 29 -4.069 -4.604 -5.027 1.00 24.10 H new ATOM 0 HZ2 LYS A 29 -3.118 -5.394 -6.192 1.00 24.10 H new ATOM 0 HZ3 LYS A 29 -2.541 -3.986 -5.438 1.00 24.10 H new ATOM 445 N TRP A 30 -1.878 0.808 -11.645 1.00 50.40 N ATOM 446 CA TRP A 30 -2.357 1.734 -12.658 1.00 73.03 C ATOM 447 C TRP A 30 -3.210 0.945 -13.652 1.00 1.44 C ATOM 448 O TRP A 30 -4.350 1.316 -13.929 1.00 62.52 O ATOM 449 CB TRP A 30 -1.191 2.471 -13.321 1.00 73.42 C ATOM 450 CG TRP A 30 -0.797 3.771 -12.618 1.00 41.25 C ATOM 451 CD1 TRP A 30 0.426 4.163 -12.235 1.00 42.44 C ATOM 452 CD2 TRP A 30 -1.682 4.841 -12.227 1.00 3.31 C ATOM 453 NE1 TRP A 30 0.393 5.402 -11.629 1.00 53.13 N ATOM 454 CE2 TRP A 30 -0.929 5.827 -11.623 1.00 3.13 C ATOM 455 CE3 TRP A 30 -3.074 4.971 -12.378 1.00 3.23 C ATOM 456 CZ2 TRP A 30 -1.480 7.013 -11.123 1.00 4.14 C ATOM 457 CZ3 TRP A 30 -3.609 6.162 -11.873 1.00 42.45 C ATOM 458 CH2 TRP A 30 -2.865 7.165 -11.263 1.00 11.12 C ATOM 0 H TRP A 30 -0.905 0.943 -11.369 1.00 50.40 H new ATOM 0 HA TRP A 30 -2.975 2.512 -12.210 1.00 73.03 H new ATOM 0 HB2 TRP A 30 -0.326 1.809 -13.350 1.00 73.42 H new ATOM 0 HB3 TRP A 30 -1.456 2.695 -14.354 1.00 73.42 H new ATOM 0 HD1 TRP A 30 1.324 3.582 -12.382 1.00 42.44 H new ATOM 0 HE1 TRP A 30 1.193 5.912 -11.254 1.00 53.13 H new ATOM 0 HE3 TRP A 30 -3.682 4.212 -12.847 1.00 3.23 H new ATOM 0 HZ2 TRP A 30 -0.869 7.770 -10.654 1.00 4.14 H new ATOM 0 HZ3 TRP A 30 -4.675 6.312 -11.964 1.00 42.45 H new ATOM 0 HH2 TRP A 30 -3.353 8.057 -10.899 1.00 11.12 H new ATOM 469 N ALA A 31 -2.625 -0.127 -14.165 1.00 54.30 N ATOM 470 CA ALA A 31 -3.317 -0.971 -15.125 1.00 64.41 C ATOM 471 C ALA A 31 -4.518 -1.631 -14.443 1.00 35.13 C ATOM 472 O ALA A 31 -5.585 -1.753 -15.041 1.00 31.53 O ATOM 473 CB ALA A 31 -2.339 -1.995 -15.704 1.00 74.43 C ATOM 0 H ALA A 31 -1.679 -0.431 -13.934 1.00 54.30 H new ATOM 0 HA ALA A 31 -3.695 -0.377 -15.957 1.00 64.41 H new ATOM 0 HB1 ALA A 31 -2.858 -2.628 -16.424 1.00 74.43 H new ATOM 0 HB2 ALA A 31 -1.520 -1.475 -16.202 1.00 74.43 H new ATOM 0 HB3 ALA A 31 -1.940 -2.613 -14.899 1.00 74.43 H new ATOM 479 N SER A 32 -4.302 -2.039 -13.202 1.00 75.42 N ATOM 480 CA SER A 32 -5.352 -2.684 -12.432 1.00 70.01 C ATOM 481 C SER A 32 -6.662 -1.907 -12.581 1.00 72.01 C ATOM 482 O SER A 32 -7.744 -2.471 -12.424 1.00 42.54 O ATOM 483 CB SER A 32 -4.965 -2.796 -10.956 1.00 3.13 C ATOM 484 OG SER A 32 -5.884 -2.109 -10.110 1.00 22.44 O ATOM 0 H SER A 32 -3.415 -1.936 -12.710 1.00 75.42 H new ATOM 0 HA SER A 32 -5.489 -3.693 -12.820 1.00 70.01 H new ATOM 0 HB2 SER A 32 -4.925 -3.847 -10.670 1.00 3.13 H new ATOM 0 HB3 SER A 32 -3.965 -2.388 -10.811 1.00 3.13 H new ATOM 0 HG SER A 32 -5.699 -2.335 -9.174 1.00 22.44 H new ATOM 490 N LEU A 33 -6.520 -0.624 -12.881 1.00 31.42 N ATOM 491 CA LEU A 33 -7.679 0.236 -13.052 1.00 71.13 C ATOM 492 C LEU A 33 -8.371 -0.105 -14.373 1.00 40.21 C ATOM 493 O LEU A 33 -9.533 -0.509 -14.384 1.00 62.35 O ATOM 494 CB LEU A 33 -7.277 1.707 -12.931 1.00 53.44 C ATOM 495 CG LEU A 33 -6.860 2.176 -11.535 1.00 62.43 C ATOM 496 CD1 LEU A 33 -5.879 3.347 -11.619 1.00 3.12 C ATOM 497 CD2 LEU A 33 -8.085 2.514 -10.683 1.00 63.30 C ATOM 0 H LEU A 33 -5.621 -0.160 -13.010 1.00 31.42 H new ATOM 0 HA LEU A 33 -8.404 0.061 -12.257 1.00 71.13 H new ATOM 0 HB2 LEU A 33 -6.451 1.895 -13.617 1.00 53.44 H new ATOM 0 HB3 LEU A 33 -8.114 2.320 -13.264 1.00 53.44 H new ATOM 0 HG LEU A 33 -6.339 1.356 -11.040 1.00 62.43 H new ATOM 0 HD11 LEU A 33 -5.599 3.660 -10.613 1.00 3.12 H new ATOM 0 HD12 LEU A 33 -4.987 3.036 -12.163 1.00 3.12 H new ATOM 0 HD13 LEU A 33 -6.351 4.180 -12.140 1.00 3.12 H new ATOM 0 HD21 LEU A 33 -7.762 2.845 -9.696 1.00 63.30 H new ATOM 0 HD22 LEU A 33 -8.654 3.310 -11.164 1.00 63.30 H new ATOM 0 HD23 LEU A 33 -8.713 1.629 -10.581 1.00 63.30 H new ATOM 509 N TRP A 34 -7.629 0.071 -15.456 1.00 52.34 N ATOM 510 CA TRP A 34 -8.156 -0.213 -16.780 1.00 33.22 C ATOM 511 C TRP A 34 -7.395 -1.414 -17.344 1.00 14.43 C ATOM 512 O TRP A 34 -7.998 -2.428 -17.693 1.00 32.31 O ATOM 513 CB TRP A 34 -8.076 1.022 -17.679 1.00 72.51 C ATOM 514 CG TRP A 34 -6.648 1.454 -18.018 1.00 73.23 C ATOM 515 CD1 TRP A 34 -5.881 2.346 -17.375 1.00 3.13 C ATOM 516 CD2 TRP A 34 -5.841 0.972 -19.112 1.00 14.44 C ATOM 517 NE1 TRP A 34 -4.645 2.475 -17.975 1.00 74.10 N ATOM 518 CE2 TRP A 34 -4.620 1.612 -19.064 1.00 3.42 C ATOM 519 CE3 TRP A 34 -6.133 0.026 -20.112 1.00 25.22 C ATOM 520 CZ2 TRP A 34 -3.594 1.376 -19.987 1.00 12.53 C ATOM 521 CZ3 TRP A 34 -5.098 -0.198 -21.026 1.00 1.11 C ATOM 522 CH2 TRP A 34 -3.863 0.438 -20.991 1.00 3.04 C ATOM 0 H TRP A 34 -6.666 0.407 -15.444 1.00 52.34 H new ATOM 0 HA TRP A 34 -9.215 -0.466 -16.727 1.00 33.22 H new ATOM 0 HB2 TRP A 34 -8.613 0.819 -18.606 1.00 72.51 H new ATOM 0 HB3 TRP A 34 -8.588 1.850 -17.188 1.00 72.51 H new ATOM 0 HD1 TRP A 34 -6.191 2.895 -16.498 1.00 3.13 H new ATOM 0 HE1 TRP A 34 -3.889 3.090 -17.675 1.00 74.10 H new ATOM 0 HE3 TRP A 34 -7.082 -0.487 -20.169 1.00 25.22 H new ATOM 0 HZ2 TRP A 34 -2.646 1.890 -19.928 1.00 12.53 H new ATOM 0 HZ3 TRP A 34 -5.271 -0.916 -21.814 1.00 1.11 H new ATOM 0 HH2 TRP A 34 -3.114 0.210 -21.735 1.00 3.04 H new ATOM 533 N ASN A 35 -6.080 -1.261 -17.418 1.00 62.50 N ATOM 534 CA ASN A 35 -5.231 -2.319 -17.933 1.00 15.44 C ATOM 535 C ASN A 35 -5.845 -2.879 -19.219 1.00 12.32 C ATOM 536 O ASN A 35 -5.263 -2.751 -20.295 1.00 3.11 O ATOM 537 CB ASN A 35 -5.110 -3.467 -16.930 1.00 74.12 C ATOM 538 CG ASN A 35 -4.798 -4.787 -17.640 1.00 42.11 C ATOM 539 OD1 ASN A 35 -3.655 -5.126 -17.901 1.00 72.44 O ATOM 540 ND2 ASN A 35 -5.874 -5.509 -17.937 1.00 31.30 N ATOM 0 H ASN A 35 -5.583 -0.418 -17.129 1.00 62.50 H new ATOM 0 HA ASN A 35 -4.243 -1.897 -18.119 1.00 15.44 H new ATOM 0 HB2 ASN A 35 -4.324 -3.243 -16.209 1.00 74.12 H new ATOM 0 HB3 ASN A 35 -6.039 -3.563 -16.368 1.00 74.12 H new ATOM 0 HD21 ASN A 35 -5.771 -6.406 -18.412 1.00 31.30 H new ATOM 0 HD22 ASN A 35 -6.802 -5.166 -17.690 1.00 31.30 H new TER 547 ASN A 35