USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=4 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+ 165:sc= 0.0316 (180deg=0.00628) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.686) 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= -0.139 X(o=-0.14,f=-0.63) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -120:sc= -0.204 USER MOD Single : A 35 ASN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.796 -4.567 -0.297 1.00 11.00 N ATOM 2 CA GLY A 1 -24.486 -4.977 1.061 1.00 43.05 C ATOM 3 C GLY A 1 -23.099 -4.483 1.480 1.00 3.11 C ATOM 4 O GLY A 1 -22.981 -3.532 2.251 1.00 21.14 O ATOM 0 H1 GLY A 1 -25.609 -5.113 -0.648 1.00 11.00 H new ATOM 0 H2 GLY A 1 -25.029 -3.554 -0.309 1.00 11.00 H new ATOM 0 H3 GLY A 1 -23.973 -4.740 -0.908 1.00 11.00 H new ATOM 0 HA2 GLY A 1 -25.238 -4.583 1.744 1.00 43.05 H new ATOM 0 HA3 GLY A 1 -24.527 -6.064 1.135 1.00 43.05 H new ATOM 8 N ILE A 2 -22.084 -5.153 0.953 1.00 0.03 N ATOM 9 CA ILE A 2 -20.711 -4.794 1.261 1.00 52.42 C ATOM 10 C ILE A 2 -19.888 -4.785 -0.029 1.00 73.14 C ATOM 11 O ILE A 2 -18.673 -4.978 0.004 1.00 41.01 O ATOM 12 CB ILE A 2 -20.146 -5.716 2.344 1.00 2.44 C ATOM 13 CG1 ILE A 2 -20.131 -7.171 1.872 1.00 53.21 C ATOM 14 CG2 ILE A 2 -20.910 -5.548 3.660 1.00 51.41 C ATOM 15 CD1 ILE A 2 -19.660 -8.105 2.989 1.00 41.01 C ATOM 0 H ILE A 2 -22.186 -5.942 0.315 1.00 0.03 H new ATOM 0 HA ILE A 2 -20.665 -3.787 1.676 1.00 52.42 H new ATOM 0 HB ILE A 2 -19.112 -5.428 2.533 1.00 2.44 H new ATOM 0 HG12 ILE A 2 -21.130 -7.462 1.547 1.00 53.21 H new ATOM 0 HG13 ILE A 2 -19.473 -7.270 1.009 1.00 53.21 H new ATOM 0 HG21 ILE A 2 -20.489 -6.214 4.413 1.00 51.41 H new ATOM 0 HG22 ILE A 2 -20.826 -4.516 4.001 1.00 51.41 H new ATOM 0 HG23 ILE A 2 -21.960 -5.794 3.505 1.00 51.41 H new ATOM 0 HD11 ILE A 2 -19.659 -9.133 2.627 1.00 41.01 H new ATOM 0 HD12 ILE A 2 -18.652 -7.827 3.295 1.00 41.01 H new ATOM 0 HD13 ILE A 2 -20.334 -8.021 3.842 1.00 41.01 H new ATOM 27 N GLY A 3 -20.581 -4.560 -1.134 1.00 25.44 N ATOM 28 CA GLY A 3 -19.932 -4.523 -2.433 1.00 52.34 C ATOM 29 C GLY A 3 -20.017 -3.126 -3.050 1.00 73.23 C ATOM 30 O GLY A 3 -18.996 -2.473 -3.260 1.00 13.11 O ATOM 0 H GLY A 3 -21.588 -4.401 -1.157 1.00 25.44 H new ATOM 0 HA2 GLY A 3 -18.887 -4.816 -2.330 1.00 52.34 H new ATOM 0 HA3 GLY A 3 -20.401 -5.247 -3.099 1.00 52.34 H new ATOM 34 N ALA A 4 -21.244 -2.709 -3.323 1.00 10.04 N ATOM 35 CA ALA A 4 -21.476 -1.400 -3.912 1.00 73.52 C ATOM 36 C ALA A 4 -20.987 -0.318 -2.948 1.00 34.22 C ATOM 37 O ALA A 4 -20.212 0.556 -3.333 1.00 55.21 O ATOM 38 CB ALA A 4 -22.960 -1.251 -4.254 1.00 60.31 C ATOM 0 H ALA A 4 -22.088 -3.254 -3.148 1.00 10.04 H new ATOM 0 HA ALA A 4 -20.915 -1.291 -4.840 1.00 73.52 H new ATOM 0 HB1 ALA A 4 -23.135 -0.270 -4.696 1.00 60.31 H new ATOM 0 HB2 ALA A 4 -23.249 -2.025 -4.964 1.00 60.31 H new ATOM 0 HB3 ALA A 4 -23.555 -1.351 -3.346 1.00 60.31 H new ATOM 44 N PHE A 5 -21.461 -0.412 -1.714 1.00 14.42 N ATOM 45 CA PHE A 5 -21.081 0.550 -0.693 1.00 73.42 C ATOM 46 C PHE A 5 -19.608 0.390 -0.311 1.00 42.21 C ATOM 47 O PHE A 5 -19.020 1.286 0.294 1.00 72.15 O ATOM 48 CB PHE A 5 -21.948 0.263 0.535 1.00 12.11 C ATOM 49 CG PHE A 5 -23.446 0.181 0.233 1.00 0.13 C ATOM 50 CD1 PHE A 5 -24.146 -0.937 0.564 1.00 4.11 C ATOM 51 CD2 PHE A 5 -24.077 1.226 -0.366 1.00 22.51 C ATOM 52 CE1 PHE A 5 -25.536 -1.013 0.285 1.00 72.22 C ATOM 53 CE2 PHE A 5 -25.467 1.150 -0.646 1.00 54.22 C ATOM 54 CZ PHE A 5 -26.168 0.032 -0.315 1.00 51.34 C ATOM 0 H PHE A 5 -22.104 -1.138 -1.398 1.00 14.42 H new ATOM 0 HA PHE A 5 -21.224 1.565 -1.065 1.00 73.42 H new ATOM 0 HB2 PHE A 5 -21.626 -0.677 0.983 1.00 12.11 H new ATOM 0 HB3 PHE A 5 -21.779 1.044 1.277 1.00 12.11 H new ATOM 0 HD1 PHE A 5 -23.644 -1.767 1.039 1.00 4.11 H new ATOM 0 HD2 PHE A 5 -23.521 2.114 -0.629 1.00 22.51 H new ATOM 0 HE1 PHE A 5 -26.092 -1.900 0.549 1.00 72.22 H new ATOM 0 HE2 PHE A 5 -25.968 1.980 -1.122 1.00 54.22 H new ATOM 0 HZ PHE A 5 -27.225 -0.026 -0.528 1.00 51.34 H new ATOM 64 N GLY A 6 -19.055 -0.757 -0.678 1.00 11.43 N ATOM 65 CA GLY A 6 -17.662 -1.044 -0.381 1.00 13.02 C ATOM 66 C GLY A 6 -16.742 -0.478 -1.464 1.00 14.14 C ATOM 67 O GLY A 6 -15.559 -0.244 -1.220 1.00 23.41 O ATOM 0 H GLY A 6 -19.546 -1.498 -1.178 1.00 11.43 H new ATOM 0 HA2 GLY A 6 -17.397 -0.616 0.586 1.00 13.02 H new ATOM 0 HA3 GLY A 6 -17.518 -2.122 -0.303 1.00 13.02 H new ATOM 71 N LEU A 7 -17.320 -0.272 -2.639 1.00 71.00 N ATOM 72 CA LEU A 7 -16.567 0.263 -3.761 1.00 75.54 C ATOM 73 C LEU A 7 -16.230 1.730 -3.490 1.00 41.14 C ATOM 74 O LEU A 7 -15.438 2.333 -4.213 1.00 50.14 O ATOM 75 CB LEU A 7 -17.323 0.037 -5.071 1.00 23.45 C ATOM 76 CG LEU A 7 -16.593 -0.785 -6.134 1.00 35.25 C ATOM 77 CD1 LEU A 7 -17.046 -2.246 -6.105 1.00 73.14 C ATOM 78 CD2 LEU A 7 -16.763 -0.160 -7.521 1.00 20.30 C ATOM 0 H LEU A 7 -18.301 -0.466 -2.838 1.00 71.00 H new ATOM 0 HA LEU A 7 -15.621 -0.267 -3.872 1.00 75.54 H new ATOM 0 HB2 LEU A 7 -18.267 -0.458 -4.842 1.00 23.45 H new ATOM 0 HB3 LEU A 7 -17.569 1.009 -5.498 1.00 23.45 H new ATOM 0 HG LEU A 7 -15.528 -0.774 -5.903 1.00 35.25 H new ATOM 0 HD11 LEU A 7 -16.511 -2.808 -6.871 1.00 73.14 H new ATOM 0 HD12 LEU A 7 -16.832 -2.674 -5.125 1.00 73.14 H new ATOM 0 HD13 LEU A 7 -18.117 -2.299 -6.298 1.00 73.14 H new ATOM 0 HD21 LEU A 7 -16.235 -0.763 -8.259 1.00 20.30 H new ATOM 0 HD22 LEU A 7 -17.822 -0.121 -7.775 1.00 20.30 H new ATOM 0 HD23 LEU A 7 -16.353 0.850 -7.518 1.00 20.30 H new ATOM 90 N LEU A 8 -16.848 2.263 -2.446 1.00 33.12 N ATOM 91 CA LEU A 8 -16.624 3.649 -2.071 1.00 31.10 C ATOM 92 C LEU A 8 -15.242 3.780 -1.427 1.00 11.34 C ATOM 93 O LEU A 8 -14.703 4.882 -1.326 1.00 21.24 O ATOM 94 CB LEU A 8 -17.765 4.156 -1.187 1.00 64.15 C ATOM 95 CG LEU A 8 -19.132 4.284 -1.863 1.00 14.54 C ATOM 96 CD1 LEU A 8 -20.089 5.120 -1.011 1.00 74.34 C ATOM 97 CD2 LEU A 8 -18.991 4.843 -3.281 1.00 51.41 C ATOM 0 H LEU A 8 -17.504 1.760 -1.848 1.00 33.12 H new ATOM 0 HA LEU A 8 -16.628 4.289 -2.954 1.00 31.10 H new ATOM 0 HB2 LEU A 8 -17.865 3.483 -0.335 1.00 64.15 H new ATOM 0 HB3 LEU A 8 -17.485 5.132 -0.791 1.00 64.15 H new ATOM 0 HG LEU A 8 -19.565 3.288 -1.950 1.00 14.54 H new ATOM 0 HD11 LEU A 8 -21.053 5.195 -1.514 1.00 74.34 H new ATOM 0 HD12 LEU A 8 -20.223 4.643 -0.040 1.00 74.34 H new ATOM 0 HD13 LEU A 8 -19.674 6.118 -0.871 1.00 74.34 H new ATOM 0 HD21 LEU A 8 -19.976 4.924 -3.740 1.00 51.41 H new ATOM 0 HD22 LEU A 8 -18.528 5.829 -3.239 1.00 51.41 H new ATOM 0 HD23 LEU A 8 -18.368 4.175 -3.875 1.00 51.41 H new ATOM 109 N GLY A 9 -14.708 2.643 -1.009 1.00 63.11 N ATOM 110 CA GLY A 9 -13.399 2.618 -0.378 1.00 61.53 C ATOM 111 C GLY A 9 -12.727 1.256 -0.566 1.00 44.40 C ATOM 112 O GLY A 9 -12.067 0.755 0.344 1.00 11.33 O ATOM 0 H GLY A 9 -15.158 1.731 -1.095 1.00 63.11 H new ATOM 0 HA2 GLY A 9 -12.771 3.400 -0.804 1.00 61.53 H new ATOM 0 HA3 GLY A 9 -13.500 2.835 0.686 1.00 61.53 H new ATOM 116 N PHE A 10 -12.916 0.697 -1.751 1.00 31.33 N ATOM 117 CA PHE A 10 -12.336 -0.597 -2.070 1.00 43.42 C ATOM 118 C PHE A 10 -10.839 -0.469 -2.361 1.00 52.51 C ATOM 119 O PHE A 10 -10.032 -1.226 -1.824 1.00 52.45 O ATOM 120 CB PHE A 10 -13.045 -1.109 -3.325 1.00 23.30 C ATOM 121 CG PHE A 10 -12.410 -2.362 -3.931 1.00 44.51 C ATOM 122 CD1 PHE A 10 -11.679 -3.201 -3.149 1.00 4.33 C ATOM 123 CD2 PHE A 10 -12.577 -2.637 -5.252 1.00 14.12 C ATOM 124 CE1 PHE A 10 -11.089 -4.363 -3.712 1.00 3.43 C ATOM 125 CE2 PHE A 10 -11.987 -3.799 -5.815 1.00 15.12 C ATOM 126 CZ PHE A 10 -11.256 -4.637 -5.033 1.00 74.04 C ATOM 0 H PHE A 10 -13.463 1.116 -2.503 1.00 31.33 H new ATOM 0 HA PHE A 10 -12.459 -1.278 -1.228 1.00 43.42 H new ATOM 0 HB2 PHE A 10 -14.085 -1.323 -3.080 1.00 23.30 H new ATOM 0 HB3 PHE A 10 -13.051 -0.318 -4.075 1.00 23.30 H new ATOM 0 HD1 PHE A 10 -11.547 -2.983 -2.099 1.00 4.33 H new ATOM 0 HD2 PHE A 10 -13.158 -1.972 -5.873 1.00 14.12 H new ATOM 0 HE1 PHE A 10 -10.508 -5.029 -3.091 1.00 3.43 H new ATOM 0 HE2 PHE A 10 -12.119 -4.017 -6.864 1.00 15.12 H new ATOM 0 HZ PHE A 10 -10.808 -5.521 -5.462 1.00 74.04 H new ATOM 136 N LEU A 11 -10.514 0.494 -3.211 1.00 62.22 N ATOM 137 CA LEU A 11 -9.129 0.731 -3.579 1.00 51.11 C ATOM 138 C LEU A 11 -8.361 1.245 -2.360 1.00 22.33 C ATOM 139 O LEU A 11 -7.250 0.796 -2.087 1.00 40.45 O ATOM 140 CB LEU A 11 -9.048 1.658 -4.793 1.00 12.15 C ATOM 141 CG LEU A 11 -9.397 1.028 -6.144 1.00 65.03 C ATOM 142 CD1 LEU A 11 -10.655 0.164 -6.036 1.00 20.35 C ATOM 143 CD2 LEU A 11 -9.527 2.097 -7.230 1.00 22.24 C ATOM 0 H LEU A 11 -11.186 1.119 -3.655 1.00 62.22 H new ATOM 0 HA LEU A 11 -8.653 -0.200 -3.886 1.00 51.11 H new ATOM 0 HB2 LEU A 11 -9.716 2.503 -4.625 1.00 12.15 H new ATOM 0 HB3 LEU A 11 -8.036 2.059 -4.852 1.00 12.15 H new ATOM 0 HG LEU A 11 -8.578 0.370 -6.437 1.00 65.03 H new ATOM 0 HD11 LEU A 11 -10.882 -0.272 -7.009 1.00 20.35 H new ATOM 0 HD12 LEU A 11 -10.488 -0.633 -5.311 1.00 20.35 H new ATOM 0 HD13 LEU A 11 -11.493 0.781 -5.711 1.00 20.35 H new ATOM 0 HD21 LEU A 11 -9.775 1.623 -8.180 1.00 22.24 H new ATOM 0 HD22 LEU A 11 -10.316 2.798 -6.958 1.00 22.24 H new ATOM 0 HD23 LEU A 11 -8.583 2.633 -7.328 1.00 22.24 H new ATOM 155 N ALA A 12 -8.986 2.182 -1.660 1.00 54.15 N ATOM 156 CA ALA A 12 -8.375 2.762 -0.476 1.00 12.54 C ATOM 157 C ALA A 12 -8.085 1.655 0.538 1.00 42.14 C ATOM 158 O ALA A 12 -7.140 1.755 1.319 1.00 44.33 O ATOM 159 CB ALA A 12 -9.292 3.847 0.092 1.00 14.24 C ATOM 0 H ALA A 12 -9.908 2.553 -1.890 1.00 54.15 H new ATOM 0 HA ALA A 12 -7.426 3.235 -0.727 1.00 12.54 H new ATOM 0 HB1 ALA A 12 -8.834 4.282 0.980 1.00 14.24 H new ATOM 0 HB2 ALA A 12 -9.443 4.625 -0.657 1.00 14.24 H new ATOM 0 HB3 ALA A 12 -10.254 3.408 0.358 1.00 14.24 H new ATOM 165 N ALA A 13 -8.915 0.624 0.494 1.00 71.43 N ATOM 166 CA ALA A 13 -8.760 -0.502 1.400 1.00 53.23 C ATOM 167 C ALA A 13 -7.434 -1.207 1.108 1.00 11.24 C ATOM 168 O ALA A 13 -6.703 -1.571 2.028 1.00 63.24 O ATOM 169 CB ALA A 13 -9.961 -1.440 1.262 1.00 2.24 C ATOM 0 H ALA A 13 -9.698 0.544 -0.155 1.00 71.43 H new ATOM 0 HA ALA A 13 -8.732 -0.160 2.434 1.00 53.23 H new ATOM 0 HB1 ALA A 13 -9.844 -2.284 1.942 1.00 2.24 H new ATOM 0 HB2 ALA A 13 -10.875 -0.900 1.509 1.00 2.24 H new ATOM 0 HB3 ALA A 13 -10.021 -1.806 0.237 1.00 2.24 H new ATOM 175 N GLY A 14 -7.162 -1.379 -0.178 1.00 62.11 N ATOM 176 CA GLY A 14 -5.937 -2.034 -0.603 1.00 62.52 C ATOM 177 C GLY A 14 -4.717 -1.405 0.071 1.00 42.14 C ATOM 178 O GLY A 14 -3.742 -2.095 0.367 1.00 53.01 O ATOM 0 H GLY A 14 -7.770 -1.076 -0.939 1.00 62.11 H new ATOM 0 HA2 GLY A 14 -5.985 -3.095 -0.359 1.00 62.52 H new ATOM 0 HA3 GLY A 14 -5.837 -1.960 -1.686 1.00 62.52 H new ATOM 182 N SER A 15 -4.809 -0.102 0.295 1.00 70.31 N ATOM 183 CA SER A 15 -3.725 0.628 0.929 1.00 34.32 C ATOM 184 C SER A 15 -3.794 0.453 2.447 1.00 62.44 C ATOM 185 O SER A 15 -2.764 0.331 3.110 1.00 13.12 O ATOM 186 CB SER A 15 -3.771 2.112 0.563 1.00 23.35 C ATOM 187 OG SER A 15 -3.629 2.321 -0.839 1.00 54.11 O ATOM 0 H SER A 15 -5.619 0.467 0.048 1.00 70.31 H new ATOM 0 HA SER A 15 -2.781 0.222 0.565 1.00 34.32 H new ATOM 0 HB2 SER A 15 -4.716 2.539 0.899 1.00 23.35 H new ATOM 0 HB3 SER A 15 -2.977 2.640 1.090 1.00 23.35 H new ATOM 0 HG SER A 15 -3.665 3.281 -1.032 1.00 54.11 H new ATOM 193 N LYS A 16 -5.018 0.445 2.955 1.00 13.42 N ATOM 194 CA LYS A 16 -5.235 0.287 4.383 1.00 43.23 C ATOM 195 C LYS A 16 -4.636 -1.044 4.841 1.00 52.13 C ATOM 196 O LYS A 16 -4.249 -1.188 6.000 1.00 51.00 O ATOM 197 CB LYS A 16 -6.719 0.443 4.720 1.00 75.23 C ATOM 198 CG LYS A 16 -7.170 1.894 4.552 1.00 23.42 C ATOM 199 CD LYS A 16 -7.586 2.498 5.895 1.00 63.12 C ATOM 200 CE LYS A 16 -7.454 4.022 5.877 1.00 73.24 C ATOM 201 NZ LYS A 16 -7.871 4.562 4.564 1.00 25.13 N ATOM 0 H LYS A 16 -5.870 0.545 2.403 1.00 13.42 H new ATOM 0 HA LYS A 16 -4.723 1.074 4.936 1.00 43.23 H new ATOM 0 HB2 LYS A 16 -7.312 -0.203 4.073 1.00 75.23 H new ATOM 0 HB3 LYS A 16 -6.899 0.119 5.745 1.00 75.23 H new ATOM 0 HG2 LYS A 16 -6.361 2.482 4.120 1.00 23.42 H new ATOM 0 HG3 LYS A 16 -8.006 1.940 3.854 1.00 23.42 H new ATOM 0 HD2 LYS A 16 -8.616 2.222 6.118 1.00 63.12 H new ATOM 0 HD3 LYS A 16 -6.966 2.085 6.691 1.00 63.12 H new ATOM 0 HE2 LYS A 16 -8.068 4.456 6.667 1.00 73.24 H new ATOM 0 HE3 LYS A 16 -6.422 4.306 6.083 1.00 73.24 H new ATOM 0 HZ1 LYS A 16 -8.167 5.553 4.674 1.00 25.13 H new ATOM 0 HZ2 LYS A 16 -7.074 4.510 3.898 1.00 25.13 H new ATOM 0 HZ3 LYS A 16 -8.666 4.003 4.195 1.00 25.13 H new ATOM 214 N LYS A 17 -4.578 -1.983 3.908 1.00 53.51 N ATOM 215 CA LYS A 17 -4.032 -3.297 4.202 1.00 60.13 C ATOM 216 C LYS A 17 -2.574 -3.354 3.740 1.00 63.53 C ATOM 217 O LYS A 17 -1.667 -3.516 4.555 1.00 73.12 O ATOM 218 CB LYS A 17 -4.913 -4.391 3.595 1.00 2.44 C ATOM 219 CG LYS A 17 -5.949 -4.884 4.606 1.00 32.43 C ATOM 220 CD LYS A 17 -5.364 -5.980 5.499 1.00 24.43 C ATOM 221 CE LYS A 17 -5.221 -7.295 4.731 1.00 72.44 C ATOM 222 NZ LYS A 17 -4.485 -8.292 5.542 1.00 3.44 N ATOM 0 H LYS A 17 -4.900 -1.860 2.948 1.00 53.51 H new ATOM 0 HA LYS A 17 -4.033 -3.479 5.277 1.00 60.13 H new ATOM 0 HB2 LYS A 17 -5.418 -4.006 2.709 1.00 2.44 H new ATOM 0 HB3 LYS A 17 -4.291 -5.225 3.270 1.00 2.44 H new ATOM 0 HG2 LYS A 17 -6.287 -4.050 5.221 1.00 32.43 H new ATOM 0 HG3 LYS A 17 -6.823 -5.267 4.079 1.00 32.43 H new ATOM 0 HD2 LYS A 17 -4.390 -5.666 5.875 1.00 24.43 H new ATOM 0 HD3 LYS A 17 -6.007 -6.129 6.366 1.00 24.43 H new ATOM 0 HE2 LYS A 17 -6.207 -7.682 4.475 1.00 72.44 H new ATOM 0 HE3 LYS A 17 -4.694 -7.120 3.793 1.00 72.44 H new ATOM 0 HZ1 LYS A 17 -4.397 -9.179 5.006 1.00 3.44 H new ATOM 0 HZ2 LYS A 17 -3.537 -7.927 5.765 1.00 3.44 H new ATOM 0 HZ3 LYS A 17 -5.003 -8.472 6.425 1.00 3.44 H new HETATM 235 C1 ACA A 18 1.894 0.209 -1.558 1.00 54.02 C HETATM 236 O1 ACA A 18 2.786 0.747 -0.903 1.00 70.52 O HETATM 237 C2 ACA A 18 0.812 0.091 -0.554 1.00 52.35 C HETATM 238 C3 ACA A 18 1.123 -1.032 0.437 1.00 25.21 C HETATM 239 C4 ACA A 18 0.419 -2.329 0.034 1.00 63.41 C HETATM 240 C5 ACA A 18 -1.002 -2.381 0.599 1.00 24.10 C HETATM 241 C6 ACA A 18 -1.063 -3.253 1.855 1.00 10.51 C HETATM 242 N6 ACA A 18 -2.395 -3.218 2.435 1.00 13.42 N HETATM 0 HN61 ACA A 18 -3.128 -2.660 1.996 1.00 13.42 H new HETATM 0 H62 ACA A 18 -0.796 -4.280 1.605 1.00 10.51 H new HETATM 0 H61 ACA A 18 -0.333 -2.902 2.584 1.00 10.51 H new HETATM 0 H52 ACA A 18 -1.340 -1.372 0.836 1.00 24.10 H new HETATM 0 H51 ACA A 18 -1.683 -2.776 -0.155 1.00 24.10 H new HETATM 0 H42 ACA A 18 0.385 -2.406 -1.053 1.00 63.41 H new HETATM 0 H41 ACA A 18 0.990 -3.184 0.396 1.00 63.41 H new HETATM 0 H32 ACA A 18 2.200 -1.196 0.480 1.00 25.21 H new HETATM 0 H31 ACA A 18 0.806 -0.737 1.437 1.00 25.21 H new HETATM 0 H22 ACA A 18 0.698 1.034 -0.020 1.00 52.35 H new HETATM 0 H21 ACA A 18 -0.136 -0.109 -1.054 1.00 52.35 H new ATOM 254 N LYS A 19 2.045 -0.905 -2.258 1.00 74.15 N ATOM 255 CA LYS A 19 3.323 -1.594 -2.302 1.00 53.04 C ATOM 256 C LYS A 19 4.170 -1.018 -3.438 1.00 75.11 C ATOM 257 O LYS A 19 4.794 0.030 -3.283 1.00 23.34 O ATOM 258 CB LYS A 19 3.114 -3.108 -2.396 1.00 10.31 C ATOM 259 CG LYS A 19 4.454 -3.842 -2.475 1.00 33.25 C ATOM 260 CD LYS A 19 4.249 -5.359 -2.469 1.00 21.13 C ATOM 261 CE LYS A 19 3.964 -5.879 -3.880 1.00 52.51 C ATOM 262 NZ LYS A 19 3.622 -7.319 -3.842 1.00 2.32 N ATOM 0 HA LYS A 19 3.876 -1.429 -1.377 1.00 53.04 H new ATOM 0 HB2 LYS A 19 2.555 -3.456 -1.527 1.00 10.31 H new ATOM 0 HB3 LYS A 19 2.514 -3.342 -3.276 1.00 10.31 H new ATOM 0 HG2 LYS A 19 4.982 -3.546 -3.382 1.00 33.25 H new ATOM 0 HG3 LYS A 19 5.082 -3.553 -1.632 1.00 33.25 H new ATOM 0 HD2 LYS A 19 5.138 -5.848 -2.070 1.00 21.13 H new ATOM 0 HD3 LYS A 19 3.420 -5.615 -1.809 1.00 21.13 H new ATOM 0 HE2 LYS A 19 3.143 -5.316 -4.323 1.00 52.51 H new ATOM 0 HE3 LYS A 19 4.836 -5.723 -4.515 1.00 52.51 H new ATOM 0 HZ1 LYS A 19 3.432 -7.656 -4.807 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 4.417 -7.854 -3.439 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 2.776 -7.460 -3.253 1.00 2.32 H new ATOM 275 N ASN A 20 4.165 -1.730 -4.557 1.00 21.15 N ATOM 276 CA ASN A 20 4.924 -1.302 -5.719 1.00 11.33 C ATOM 277 C ASN A 20 4.669 0.186 -5.970 1.00 71.14 C ATOM 278 O ASN A 20 3.593 0.695 -5.665 1.00 24.11 O ATOM 279 CB ASN A 20 4.496 -2.072 -6.970 1.00 15.21 C ATOM 280 CG ASN A 20 5.681 -2.821 -7.586 1.00 4.13 C ATOM 281 OD1 ASN A 20 6.814 -2.367 -7.563 1.00 21.53 O ATOM 282 ND2 ASN A 20 5.358 -3.988 -8.134 1.00 22.34 N ATOM 0 H ASN A 20 3.647 -2.600 -4.682 1.00 21.15 H new ATOM 0 HA ASN A 20 5.979 -1.492 -5.521 1.00 11.33 H new ATOM 0 HB2 ASN A 20 3.708 -2.780 -6.714 1.00 15.21 H new ATOM 0 HB3 ASN A 20 4.078 -1.381 -7.702 1.00 15.21 H new ATOM 0 HD21 ASN A 20 6.078 -4.563 -8.570 1.00 22.34 H new ATOM 0 HD22 ASN A 20 4.390 -4.308 -8.118 1.00 22.34 H new ATOM 289 N GLU A 21 5.680 0.841 -6.524 1.00 73.43 N ATOM 290 CA GLU A 21 5.579 2.260 -6.819 1.00 0.21 C ATOM 291 C GLU A 21 4.576 2.497 -7.949 1.00 33.51 C ATOM 292 O GLU A 21 3.950 3.554 -8.017 1.00 23.54 O ATOM 293 CB GLU A 21 6.949 2.845 -7.169 1.00 30.45 C ATOM 294 CG GLU A 21 7.558 2.130 -8.377 1.00 43.13 C ATOM 295 CD GLU A 21 8.878 1.451 -8.003 1.00 21.13 C ATOM 296 OE1 GLU A 21 9.505 1.827 -7.002 1.00 55.40 O ATOM 297 OE2 GLU A 21 9.245 0.501 -8.793 1.00 13.44 O ATOM 0 H GLU A 21 6.572 0.415 -6.776 1.00 73.43 H new ATOM 0 HA GLU A 21 5.219 2.773 -5.927 1.00 0.21 H new ATOM 0 HB2 GLU A 21 6.850 3.909 -7.384 1.00 30.45 H new ATOM 0 HB3 GLU A 21 7.617 2.753 -6.313 1.00 30.45 H new ATOM 0 HG2 GLU A 21 6.857 1.386 -8.756 1.00 43.13 H new ATOM 0 HG3 GLU A 21 7.728 2.846 -9.181 1.00 43.13 H new ATOM 305 N GLN A 22 4.454 1.497 -8.809 1.00 73.44 N ATOM 306 CA GLN A 22 3.538 1.582 -9.934 1.00 3.21 C ATOM 307 C GLN A 22 2.198 2.169 -9.483 1.00 3.23 C ATOM 308 O GLN A 22 1.632 3.025 -10.162 1.00 64.33 O ATOM 309 CB GLN A 22 3.344 0.214 -10.589 1.00 21.54 C ATOM 310 CG GLN A 22 4.432 -0.054 -11.630 1.00 74.21 C ATOM 311 CD GLN A 22 4.898 -1.511 -11.574 1.00 23.22 C ATOM 312 OE1 GLN A 22 5.669 -1.911 -10.718 1.00 1.53 O ATOM 313 NE2 GLN A 22 4.388 -2.279 -12.533 1.00 63.42 N ATOM 0 H GLN A 22 4.975 0.622 -8.749 1.00 73.44 H new ATOM 0 HA GLN A 22 3.972 2.247 -10.681 1.00 3.21 H new ATOM 0 HB2 GLN A 22 3.365 -0.565 -9.827 1.00 21.54 H new ATOM 0 HB3 GLN A 22 2.363 0.169 -11.063 1.00 21.54 H new ATOM 0 HG2 GLN A 22 4.051 0.172 -12.626 1.00 74.21 H new ATOM 0 HG3 GLN A 22 5.279 0.609 -11.455 1.00 74.21 H new ATOM 0 HE21 GLN A 22 3.747 -1.880 -13.219 1.00 63.42 H new ATOM 0 HE22 GLN A 22 4.638 -3.267 -12.582 1.00 63.42 H new ATOM 322 N GLU A 23 1.731 1.687 -8.341 1.00 72.14 N ATOM 323 CA GLU A 23 0.470 2.151 -7.791 1.00 5.35 C ATOM 324 C GLU A 23 0.534 3.655 -7.514 1.00 24.01 C ATOM 325 O GLU A 23 -0.411 4.385 -7.808 1.00 21.15 O ATOM 326 CB GLU A 23 0.103 1.376 -6.524 1.00 31.23 C ATOM 327 CG GLU A 23 -1.255 1.823 -5.982 1.00 63.33 C ATOM 328 CD GLU A 23 -1.110 2.459 -4.597 1.00 74.10 C ATOM 329 OE1 GLU A 23 -0.099 3.123 -4.323 1.00 41.23 O ATOM 330 OE2 GLU A 23 -2.095 2.244 -3.793 1.00 51.05 O ATOM 0 H GLU A 23 2.205 0.978 -7.781 1.00 72.14 H new ATOM 0 HA GLU A 23 -0.313 1.968 -8.527 1.00 5.35 H new ATOM 0 HB2 GLU A 23 0.078 0.308 -6.741 1.00 31.23 H new ATOM 0 HB3 GLU A 23 0.870 1.529 -5.765 1.00 31.23 H new ATOM 0 HG2 GLU A 23 -1.707 2.538 -6.669 1.00 63.33 H new ATOM 0 HG3 GLU A 23 -1.927 0.967 -5.925 1.00 63.33 H new ATOM 338 N LEU A 24 1.658 4.073 -6.950 1.00 72.14 N ATOM 339 CA LEU A 24 1.858 5.476 -6.630 1.00 54.02 C ATOM 340 C LEU A 24 1.658 6.317 -7.892 1.00 32.12 C ATOM 341 O LEU A 24 0.842 7.238 -7.906 1.00 20.32 O ATOM 342 CB LEU A 24 3.219 5.685 -5.962 1.00 62.02 C ATOM 343 CG LEU A 24 3.189 6.255 -4.543 1.00 43.01 C ATOM 344 CD1 LEU A 24 2.309 7.505 -4.473 1.00 72.03 C ATOM 345 CD2 LEU A 24 2.755 5.191 -3.533 1.00 50.52 C ATOM 0 H LEU A 24 2.439 3.464 -6.707 1.00 72.14 H new ATOM 0 HA LEU A 24 1.117 5.809 -5.903 1.00 54.02 H new ATOM 0 HB2 LEU A 24 3.740 4.728 -5.937 1.00 62.02 H new ATOM 0 HB3 LEU A 24 3.810 6.353 -6.588 1.00 62.02 H new ATOM 0 HG LEU A 24 4.201 6.558 -4.275 1.00 43.01 H new ATOM 0 HD11 LEU A 24 2.305 7.890 -3.453 1.00 72.03 H new ATOM 0 HD12 LEU A 24 2.703 8.266 -5.147 1.00 72.03 H new ATOM 0 HD13 LEU A 24 1.291 7.251 -4.769 1.00 72.03 H new ATOM 0 HD21 LEU A 24 2.742 5.623 -2.532 1.00 50.52 H new ATOM 0 HD22 LEU A 24 1.757 4.834 -3.787 1.00 50.52 H new ATOM 0 HD23 LEU A 24 3.456 4.357 -3.559 1.00 50.52 H new ATOM 357 N LEU A 25 2.415 5.970 -8.922 1.00 10.14 N ATOM 358 CA LEU A 25 2.331 6.682 -10.186 1.00 75.32 C ATOM 359 C LEU A 25 0.900 6.593 -10.722 1.00 5.42 C ATOM 360 O LEU A 25 0.443 7.486 -11.433 1.00 11.51 O ATOM 361 CB LEU A 25 3.386 6.162 -11.164 1.00 13.35 C ATOM 362 CG LEU A 25 4.843 6.314 -10.723 1.00 50.25 C ATOM 363 CD1 LEU A 25 4.992 7.451 -9.709 1.00 53.41 C ATOM 364 CD2 LEU A 25 5.395 4.992 -10.186 1.00 33.41 C ATOM 0 H LEU A 25 3.090 5.205 -8.907 1.00 10.14 H new ATOM 0 HA LEU A 25 2.554 7.739 -10.043 1.00 75.32 H new ATOM 0 HB2 LEU A 25 3.192 5.106 -11.349 1.00 13.35 H new ATOM 0 HB3 LEU A 25 3.259 6.681 -12.114 1.00 13.35 H new ATOM 0 HG LEU A 25 5.438 6.580 -11.596 1.00 50.25 H new ATOM 0 HD11 LEU A 25 6.037 7.538 -9.411 1.00 53.41 H new ATOM 0 HD12 LEU A 25 4.664 8.387 -10.161 1.00 53.41 H new ATOM 0 HD13 LEU A 25 4.381 7.238 -8.832 1.00 53.41 H new ATOM 0 HD21 LEU A 25 6.432 5.128 -9.880 1.00 33.41 H new ATOM 0 HD22 LEU A 25 4.803 4.672 -9.329 1.00 33.41 H new ATOM 0 HD23 LEU A 25 5.344 4.233 -10.966 1.00 33.41 H new ATOM 376 N GLU A 26 0.232 5.508 -10.359 1.00 73.23 N ATOM 377 CA GLU A 26 -1.138 5.291 -10.794 1.00 41.54 C ATOM 378 C GLU A 26 -2.044 6.406 -10.268 1.00 42.13 C ATOM 379 O GLU A 26 -2.872 6.937 -11.006 1.00 42.14 O ATOM 380 CB GLU A 26 -1.643 3.918 -10.349 1.00 64.20 C ATOM 381 CG GLU A 26 -2.184 3.122 -11.538 1.00 73.31 C ATOM 382 CD GLU A 26 -2.654 1.733 -11.100 1.00 41.01 C ATOM 383 OE1 GLU A 26 -2.419 1.333 -9.950 1.00 14.44 O ATOM 384 OE2 GLU A 26 -3.286 1.061 -12.002 1.00 43.21 O ATOM 0 H GLU A 26 0.614 4.769 -9.768 1.00 73.23 H new ATOM 0 HA GLU A 26 -1.161 5.314 -11.884 1.00 41.54 H new ATOM 0 HB2 GLU A 26 -0.833 3.365 -9.875 1.00 64.20 H new ATOM 0 HB3 GLU A 26 -2.427 4.039 -9.601 1.00 64.20 H new ATOM 0 HG2 GLU A 26 -3.013 3.663 -11.995 1.00 73.31 H new ATOM 0 HG3 GLU A 26 -1.409 3.025 -12.298 1.00 73.31 H new ATOM 392 N LEU A 27 -1.855 6.728 -8.996 1.00 31.03 N ATOM 393 CA LEU A 27 -2.645 7.770 -8.363 1.00 61.24 C ATOM 394 C LEU A 27 -2.080 9.138 -8.748 1.00 73.11 C ATOM 395 O LEU A 27 -2.810 10.127 -8.787 1.00 24.34 O ATOM 396 CB LEU A 27 -2.723 7.540 -6.852 1.00 22.41 C ATOM 397 CG LEU A 27 -3.504 6.303 -6.401 1.00 12.21 C ATOM 398 CD1 LEU A 27 -4.862 6.695 -5.815 1.00 50.50 C ATOM 399 CD2 LEU A 27 -3.642 5.295 -7.544 1.00 3.34 C ATOM 0 H LEU A 27 -1.166 6.285 -8.387 1.00 31.03 H new ATOM 0 HA LEU A 27 -3.674 7.738 -8.721 1.00 61.24 H new ATOM 0 HB2 LEU A 27 -1.708 7.466 -6.463 1.00 22.41 H new ATOM 0 HB3 LEU A 27 -3.177 8.419 -6.394 1.00 22.41 H new ATOM 0 HG LEU A 27 -2.940 5.814 -5.607 1.00 12.21 H new ATOM 0 HD11 LEU A 27 -5.396 5.798 -5.503 1.00 50.50 H new ATOM 0 HD12 LEU A 27 -4.712 7.347 -4.954 1.00 50.50 H new ATOM 0 HD13 LEU A 27 -5.446 7.220 -6.570 1.00 50.50 H new ATOM 0 HD21 LEU A 27 -4.201 4.426 -7.197 1.00 3.34 H new ATOM 0 HD22 LEU A 27 -4.172 5.759 -8.376 1.00 3.34 H new ATOM 0 HD23 LEU A 27 -2.652 4.982 -7.874 1.00 3.34 H new ATOM 411 N ASP A 28 -0.783 9.151 -9.023 1.00 24.24 N ATOM 412 CA ASP A 28 -0.112 10.382 -9.403 1.00 32.25 C ATOM 413 C ASP A 28 -0.708 10.898 -10.715 1.00 51.44 C ATOM 414 O ASP A 28 -0.578 12.078 -11.037 1.00 3.03 O ATOM 415 CB ASP A 28 1.383 10.148 -9.623 1.00 54.44 C ATOM 416 CG ASP A 28 2.225 11.419 -9.758 1.00 51.10 C ATOM 417 OD1 ASP A 28 1.691 12.517 -9.976 1.00 50.03 O ATOM 418 OD2 ASP A 28 3.496 11.247 -9.629 1.00 51.14 O ATOM 0 H ASP A 28 -0.180 8.329 -8.990 1.00 24.24 H new ATOM 0 HA ASP A 28 -0.250 11.104 -8.598 1.00 32.25 H new ATOM 0 HB2 ASP A 28 1.770 9.561 -8.790 1.00 54.44 H new ATOM 0 HB3 ASP A 28 1.513 9.547 -10.523 1.00 54.44 H new ATOM 424 N LYS A 29 -1.347 9.990 -11.436 1.00 74.14 N ATOM 425 CA LYS A 29 -1.963 10.338 -12.705 1.00 61.12 C ATOM 426 C LYS A 29 -3.290 11.050 -12.443 1.00 21.34 C ATOM 427 O LYS A 29 -3.980 11.451 -13.380 1.00 54.30 O ATOM 428 CB LYS A 29 -2.093 9.101 -13.595 1.00 71.22 C ATOM 429 CG LYS A 29 -0.723 8.634 -14.091 1.00 71.13 C ATOM 430 CD LYS A 29 -0.330 9.360 -15.379 1.00 32.34 C ATOM 431 CE LYS A 29 0.502 8.453 -16.288 1.00 3.33 C ATOM 432 NZ LYS A 29 -0.374 7.699 -17.210 1.00 32.51 N ATOM 0 H LYS A 29 -1.452 9.012 -11.166 1.00 74.14 H new ATOM 0 HA LYS A 29 -1.331 11.033 -13.258 1.00 61.12 H new ATOM 0 HB2 LYS A 29 -2.575 8.297 -13.038 1.00 71.22 H new ATOM 0 HB3 LYS A 29 -2.734 9.328 -14.447 1.00 71.22 H new ATOM 0 HG2 LYS A 29 0.028 8.817 -13.322 1.00 71.13 H new ATOM 0 HG3 LYS A 29 -0.743 7.559 -14.267 1.00 71.13 H new ATOM 0 HD2 LYS A 29 -1.227 9.684 -15.906 1.00 32.34 H new ATOM 0 HD3 LYS A 29 0.239 10.257 -15.136 1.00 32.34 H new ATOM 0 HE2 LYS A 29 1.211 9.052 -16.859 1.00 3.33 H new ATOM 0 HE3 LYS A 29 1.086 7.759 -15.683 1.00 3.33 H new ATOM 0 HZ1 LYS A 29 0.207 7.089 -17.820 1.00 32.51 H new ATOM 0 HZ2 LYS A 29 -1.034 7.112 -16.660 1.00 32.51 H new ATOM 0 HZ3 LYS A 29 -0.913 8.365 -17.800 1.00 32.51 H new ATOM 445 N TRP A 30 -3.611 11.187 -11.165 1.00 32.42 N ATOM 446 CA TRP A 30 -4.844 11.845 -10.769 1.00 64.22 C ATOM 447 C TRP A 30 -5.036 13.070 -11.665 1.00 71.53 C ATOM 448 O TRP A 30 -6.082 13.225 -12.294 1.00 61.34 O ATOM 449 CB TRP A 30 -4.827 12.191 -9.279 1.00 0.40 C ATOM 450 CG TRP A 30 -5.372 11.083 -8.375 1.00 23.31 C ATOM 451 CD1 TRP A 30 -4.806 10.558 -7.281 1.00 23.30 C ATOM 452 CD2 TRP A 30 -6.624 10.382 -8.535 1.00 10.14 C ATOM 453 NE1 TRP A 30 -5.598 9.574 -6.725 1.00 74.14 N ATOM 454 CE2 TRP A 30 -6.738 9.463 -7.512 1.00 32.44 C ATOM 455 CE3 TRP A 30 -7.626 10.520 -9.511 1.00 0.51 C ATOM 456 CZ2 TRP A 30 -7.839 8.611 -7.367 1.00 21.11 C ATOM 457 CZ3 TRP A 30 -8.719 9.661 -9.352 1.00 21.55 C ATOM 458 CH2 TRP A 30 -8.850 8.730 -8.328 1.00 0.40 C ATOM 0 H TRP A 30 -3.038 10.853 -10.390 1.00 32.42 H new ATOM 0 HA TRP A 30 -5.696 11.179 -10.903 1.00 64.22 H new ATOM 0 HB2 TRP A 30 -3.803 12.418 -8.981 1.00 0.40 H new ATOM 0 HB3 TRP A 30 -5.413 13.096 -9.120 1.00 0.40 H new ATOM 0 HD1 TRP A 30 -3.850 10.866 -6.884 1.00 23.30 H new ATOM 0 HE1 TRP A 30 -5.386 9.028 -5.890 1.00 74.14 H new ATOM 0 HE3 TRP A 30 -7.558 11.233 -10.320 1.00 0.51 H new ATOM 0 HZ2 TRP A 30 -7.905 7.900 -6.557 1.00 21.11 H new ATOM 0 HZ3 TRP A 30 -9.518 9.726 -10.076 1.00 21.55 H new ATOM 0 HH2 TRP A 30 -9.727 8.102 -8.274 1.00 0.40 H new ATOM 469 N ALA A 31 -4.011 13.908 -11.695 1.00 25.14 N ATOM 470 CA ALA A 31 -4.054 15.114 -12.504 1.00 24.20 C ATOM 471 C ALA A 31 -4.211 14.730 -13.976 1.00 24.34 C ATOM 472 O ALA A 31 -5.071 15.268 -14.673 1.00 30.53 O ATOM 473 CB ALA A 31 -2.795 15.944 -12.249 1.00 5.24 C ATOM 0 H ALA A 31 -3.145 13.776 -11.172 1.00 25.14 H new ATOM 0 HA ALA A 31 -4.911 15.729 -12.231 1.00 24.20 H new ATOM 0 HB1 ALA A 31 -2.827 16.849 -12.856 1.00 5.24 H new ATOM 0 HB2 ALA A 31 -2.746 16.216 -11.195 1.00 5.24 H new ATOM 0 HB3 ALA A 31 -1.914 15.360 -12.515 1.00 5.24 H new ATOM 479 N SER A 32 -3.368 13.804 -14.407 1.00 62.14 N ATOM 480 CA SER A 32 -3.403 13.342 -15.784 1.00 41.21 C ATOM 481 C SER A 32 -4.848 13.071 -16.209 1.00 2.22 C ATOM 482 O SER A 32 -5.177 13.151 -17.391 1.00 55.34 O ATOM 483 CB SER A 32 -2.552 12.083 -15.964 1.00 24.53 C ATOM 484 OG SER A 32 -1.247 12.238 -15.415 1.00 74.30 O ATOM 0 H SER A 32 -2.656 13.361 -13.827 1.00 62.14 H new ATOM 0 HA SER A 32 -2.985 14.124 -16.418 1.00 41.21 H new ATOM 0 HB2 SER A 32 -3.048 11.239 -15.486 1.00 24.53 H new ATOM 0 HB3 SER A 32 -2.473 11.847 -17.025 1.00 24.53 H new ATOM 0 HG SER A 32 -0.579 12.120 -16.122 1.00 74.30 H new ATOM 490 N LEU A 33 -5.673 12.758 -15.221 1.00 60.34 N ATOM 491 CA LEU A 33 -7.075 12.474 -15.477 1.00 44.21 C ATOM 492 C LEU A 33 -7.703 13.661 -16.210 1.00 30.44 C ATOM 493 O LEU A 33 -8.189 13.516 -17.331 1.00 11.24 O ATOM 494 CB LEU A 33 -7.793 12.104 -14.178 1.00 54.21 C ATOM 495 CG LEU A 33 -8.972 11.138 -14.316 1.00 2.24 C ATOM 496 CD1 LEU A 33 -8.524 9.811 -14.931 1.00 34.03 C ATOM 497 CD2 LEU A 33 -9.677 10.938 -12.973 1.00 4.31 C ATOM 0 H LEU A 33 -5.397 12.695 -14.241 1.00 60.34 H new ATOM 0 HA LEU A 33 -7.176 11.605 -16.128 1.00 44.21 H new ATOM 0 HB2 LEU A 33 -7.065 11.663 -13.497 1.00 54.21 H new ATOM 0 HB3 LEU A 33 -8.153 13.021 -13.711 1.00 54.21 H new ATOM 0 HG LEU A 33 -9.698 11.580 -14.998 1.00 2.24 H new ATOM 0 HD11 LEU A 33 -9.381 9.143 -15.018 1.00 34.03 H new ATOM 0 HD12 LEU A 33 -8.103 9.992 -15.920 1.00 34.03 H new ATOM 0 HD13 LEU A 33 -7.769 9.351 -14.294 1.00 34.03 H new ATOM 0 HD21 LEU A 33 -10.511 10.247 -13.099 1.00 4.31 H new ATOM 0 HD22 LEU A 33 -8.972 10.528 -12.250 1.00 4.31 H new ATOM 0 HD23 LEU A 33 -10.051 11.896 -12.612 1.00 4.31 H new ATOM 509 N TRP A 34 -7.675 14.808 -15.548 1.00 42.45 N ATOM 510 CA TRP A 34 -8.236 16.018 -16.123 1.00 3.13 C ATOM 511 C TRP A 34 -7.112 16.764 -16.845 1.00 14.24 C ATOM 512 O TRP A 34 -7.206 17.023 -18.045 1.00 4.11 O ATOM 513 CB TRP A 34 -8.923 16.867 -15.051 1.00 64.12 C ATOM 514 CG TRP A 34 -7.997 17.300 -13.912 1.00 41.13 C ATOM 515 CD1 TRP A 34 -7.289 18.433 -13.809 1.00 51.33 C ATOM 516 CD2 TRP A 34 -7.707 16.556 -12.710 1.00 60.31 C ATOM 517 NE1 TRP A 34 -6.566 18.472 -12.634 1.00 5.14 N ATOM 518 CE2 TRP A 34 -6.828 17.295 -11.944 1.00 33.12 C ATOM 519 CE3 TRP A 34 -8.172 15.299 -12.284 1.00 53.43 C ATOM 520 CZ2 TRP A 34 -6.338 16.862 -10.707 1.00 63.04 C ATOM 521 CZ3 TRP A 34 -7.672 14.880 -11.045 1.00 2.41 C ATOM 522 CH2 TRP A 34 -6.788 15.612 -10.261 1.00 14.43 C ATOM 0 H TRP A 34 -7.272 14.925 -14.618 1.00 42.45 H new ATOM 0 HA TRP A 34 -9.014 15.776 -16.846 1.00 3.13 H new ATOM 0 HB2 TRP A 34 -9.344 17.756 -15.521 1.00 64.12 H new ATOM 0 HB3 TRP A 34 -9.756 16.302 -14.633 1.00 64.12 H new ATOM 0 HD1 TRP A 34 -7.285 19.217 -14.552 1.00 51.33 H new ATOM 0 HE1 TRP A 34 -5.952 19.227 -12.328 1.00 5.14 H new ATOM 0 HE3 TRP A 34 -8.860 14.704 -12.866 1.00 53.43 H new ATOM 0 HZ2 TRP A 34 -5.650 17.459 -10.127 1.00 63.04 H new ATOM 0 HZ3 TRP A 34 -7.996 13.920 -10.672 1.00 2.41 H new ATOM 0 HH2 TRP A 34 -6.450 15.220 -9.313 1.00 14.43 H new ATOM 533 N ASN A 35 -6.075 17.086 -16.087 1.00 23.11 N ATOM 534 CA ASN A 35 -4.935 17.796 -16.640 1.00 1.02 C ATOM 535 C ASN A 35 -5.431 18.895 -17.581 1.00 24.45 C ATOM 536 O ASN A 35 -5.352 18.756 -18.801 1.00 25.21 O ATOM 537 CB ASN A 35 -4.038 16.854 -17.446 1.00 42.23 C ATOM 538 CG ASN A 35 -2.646 17.458 -17.643 1.00 1.23 C ATOM 539 OD1 ASN A 35 -2.230 17.779 -18.745 1.00 63.23 O ATOM 540 ND2 ASN A 35 -1.951 17.596 -16.517 1.00 74.24 N ATOM 0 H ASN A 35 -6.000 16.868 -15.093 1.00 23.11 H new ATOM 0 HA ASN A 35 -4.365 18.216 -15.811 1.00 1.02 H new ATOM 0 HB2 ASN A 35 -3.954 15.897 -16.931 1.00 42.23 H new ATOM 0 HB3 ASN A 35 -4.493 16.655 -18.416 1.00 42.23 H new ATOM 0 HD21 ASN A 35 -1.011 17.991 -16.543 1.00 74.24 H new ATOM 0 HD22 ASN A 35 -2.358 17.307 -15.628 1.00 74.24 H new TER 547 ASN A 35