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+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 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=-0.00691 X(o=-0.0069,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= -0.687 (180deg=-2.08!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.652 -1.106 -0.763 1.00 40.43 N ATOM 2 CA GLY A 1 -27.514 -2.011 -0.788 1.00 70.42 C ATOM 3 C GLY A 1 -26.770 -1.917 -2.122 1.00 24.22 C ATOM 4 O GLY A 1 -26.859 -2.821 -2.952 1.00 64.11 O ATOM 0 H1 GLY A 1 -29.141 -1.188 0.151 1.00 40.43 H new ATOM 0 H2 GLY A 1 -28.321 -0.129 -0.893 1.00 40.43 H new ATOM 0 H3 GLY A 1 -29.309 -1.354 -1.530 1.00 40.43 H new ATOM 0 HA2 GLY A 1 -26.835 -1.770 0.030 1.00 70.42 H new ATOM 0 HA3 GLY A 1 -27.854 -3.034 -0.628 1.00 70.42 H new ATOM 8 N ILE A 2 -26.052 -0.816 -2.287 1.00 22.32 N ATOM 9 CA ILE A 2 -25.294 -0.592 -3.506 1.00 2.32 C ATOM 10 C ILE A 2 -23.891 -1.182 -3.344 1.00 0.43 C ATOM 11 O ILE A 2 -23.317 -1.136 -2.257 1.00 2.30 O ATOM 12 CB ILE A 2 -25.298 0.893 -3.875 1.00 40.40 C ATOM 13 CG1 ILE A 2 -24.422 1.699 -2.915 1.00 44.51 C ATOM 14 CG2 ILE A 2 -26.726 1.437 -3.942 1.00 22.20 C ATOM 15 CD1 ILE A 2 -24.075 3.067 -3.506 1.00 43.54 C ATOM 0 H ILE A 2 -25.979 -0.069 -1.596 1.00 22.32 H new ATOM 0 HA ILE A 2 -25.762 -1.106 -4.346 1.00 2.32 H new ATOM 0 HB ILE A 2 -24.866 0.999 -4.870 1.00 40.40 H new ATOM 0 HG12 ILE A 2 -24.942 1.830 -1.966 1.00 44.51 H new ATOM 0 HG13 ILE A 2 -23.506 1.148 -2.703 1.00 44.51 H new ATOM 0 HG21 ILE A 2 -26.701 2.494 -4.206 1.00 22.20 H new ATOM 0 HG22 ILE A 2 -27.289 0.888 -4.696 1.00 22.20 H new ATOM 0 HG23 ILE A 2 -27.207 1.317 -2.971 1.00 22.20 H new ATOM 0 HD11 ILE A 2 -23.452 3.619 -2.803 1.00 43.54 H new ATOM 0 HD12 ILE A 2 -23.534 2.932 -4.443 1.00 43.54 H new ATOM 0 HD13 ILE A 2 -24.992 3.625 -3.694 1.00 43.54 H new ATOM 27 N GLY A 3 -23.380 -1.720 -4.440 1.00 22.20 N ATOM 28 CA GLY A 3 -22.055 -2.318 -4.433 1.00 11.13 C ATOM 29 C GLY A 3 -20.973 -1.255 -4.632 1.00 71.32 C ATOM 30 O GLY A 3 -19.784 -1.544 -4.512 1.00 51.44 O ATOM 0 H GLY A 3 -23.859 -1.755 -5.340 1.00 22.20 H new ATOM 0 HA2 GLY A 3 -21.891 -2.837 -3.488 1.00 11.13 H new ATOM 0 HA3 GLY A 3 -21.985 -3.066 -5.223 1.00 11.13 H new ATOM 34 N ALA A 4 -21.425 -0.046 -4.934 1.00 42.25 N ATOM 35 CA ALA A 4 -20.509 1.061 -5.151 1.00 22.30 C ATOM 36 C ALA A 4 -19.724 1.329 -3.865 1.00 64.40 C ATOM 37 O ALA A 4 -18.499 1.433 -3.892 1.00 61.30 O ATOM 38 CB ALA A 4 -21.295 2.288 -5.621 1.00 44.51 C ATOM 0 H ALA A 4 -22.412 0.191 -5.033 1.00 42.25 H new ATOM 0 HA ALA A 4 -19.788 0.816 -5.931 1.00 22.30 H new ATOM 0 HB1 ALA A 4 -20.609 3.119 -5.784 1.00 44.51 H new ATOM 0 HB2 ALA A 4 -21.811 2.055 -6.553 1.00 44.51 H new ATOM 0 HB3 ALA A 4 -22.026 2.565 -4.861 1.00 44.51 H new ATOM 44 N LEU A 5 -20.463 1.432 -2.770 1.00 31.11 N ATOM 45 CA LEU A 5 -19.852 1.685 -1.476 1.00 53.14 C ATOM 46 C LEU A 5 -18.734 0.668 -1.238 1.00 50.41 C ATOM 47 O LEU A 5 -17.600 1.044 -0.945 1.00 71.03 O ATOM 48 CB LEU A 5 -20.915 1.701 -0.375 1.00 54.43 C ATOM 49 CG LEU A 5 -20.865 2.890 0.586 1.00 24.21 C ATOM 50 CD1 LEU A 5 -19.423 3.231 0.963 1.00 10.52 C ATOM 51 CD2 LEU A 5 -21.607 4.095 0.005 1.00 11.22 C ATOM 0 H LEU A 5 -21.479 1.345 -2.752 1.00 31.11 H new ATOM 0 HA LEU A 5 -19.393 2.674 -1.457 1.00 53.14 H new ATOM 0 HB2 LEU A 5 -21.898 1.680 -0.846 1.00 54.43 H new ATOM 0 HB3 LEU A 5 -20.821 0.784 0.207 1.00 54.43 H new ATOM 0 HG LEU A 5 -21.379 2.608 1.505 1.00 24.21 H new ATOM 0 HD11 LEU A 5 -19.417 4.080 1.647 1.00 10.52 H new ATOM 0 HD12 LEU A 5 -18.961 2.371 1.448 1.00 10.52 H new ATOM 0 HD13 LEU A 5 -18.862 3.486 0.064 1.00 10.52 H new ATOM 0 HD21 LEU A 5 -21.557 4.927 0.708 1.00 11.22 H new ATOM 0 HD22 LEU A 5 -21.144 4.388 -0.937 1.00 11.22 H new ATOM 0 HD23 LEU A 5 -22.650 3.830 -0.170 1.00 11.22 H new ATOM 63 N PHE A 6 -19.093 -0.601 -1.371 1.00 31.25 N ATOM 64 CA PHE A 6 -18.134 -1.674 -1.174 1.00 44.44 C ATOM 65 C PHE A 6 -16.827 -1.385 -1.914 1.00 74.33 C ATOM 66 O PHE A 6 -15.743 -1.632 -1.387 1.00 40.11 O ATOM 67 CB PHE A 6 -18.761 -2.946 -1.749 1.00 22.43 C ATOM 68 CG PHE A 6 -17.801 -4.134 -1.827 1.00 5.23 C ATOM 69 CD1 PHE A 6 -17.340 -4.711 -0.684 1.00 22.35 C ATOM 70 CD2 PHE A 6 -17.408 -4.613 -3.037 1.00 44.53 C ATOM 71 CE1 PHE A 6 -16.450 -5.813 -0.755 1.00 53.44 C ATOM 72 CE2 PHE A 6 -16.517 -5.716 -3.108 1.00 51.22 C ATOM 73 CZ PHE A 6 -16.056 -6.293 -1.965 1.00 74.41 C ATOM 0 H PHE A 6 -20.035 -0.909 -1.613 1.00 31.25 H new ATOM 0 HA PHE A 6 -17.904 -1.777 -0.113 1.00 44.44 H new ATOM 0 HB2 PHE A 6 -19.618 -3.225 -1.136 1.00 22.43 H new ATOM 0 HB3 PHE A 6 -19.140 -2.732 -2.749 1.00 22.43 H new ATOM 0 HD1 PHE A 6 -17.652 -4.330 0.277 1.00 22.35 H new ATOM 0 HD2 PHE A 6 -17.773 -4.155 -3.944 1.00 44.53 H new ATOM 0 HE1 PHE A 6 -16.085 -6.271 0.152 1.00 53.44 H new ATOM 0 HE2 PHE A 6 -16.205 -6.097 -4.069 1.00 51.22 H new ATOM 0 HZ PHE A 6 -15.378 -7.132 -2.019 1.00 74.41 H new ATOM 83 N LEU A 7 -16.971 -0.866 -3.125 1.00 63.01 N ATOM 84 CA LEU A 7 -15.815 -0.540 -3.942 1.00 62.13 C ATOM 85 C LEU A 7 -14.974 0.520 -3.230 1.00 3.40 C ATOM 86 O LEU A 7 -13.747 0.504 -3.313 1.00 51.32 O ATOM 87 CB LEU A 7 -16.253 -0.134 -5.351 1.00 22.02 C ATOM 88 CG LEU A 7 -15.532 -0.833 -6.505 1.00 20.24 C ATOM 89 CD1 LEU A 7 -15.991 -2.286 -6.638 1.00 61.11 C ATOM 90 CD2 LEU A 7 -15.706 -0.055 -7.811 1.00 73.14 C ATOM 0 H LEU A 7 -17.871 -0.663 -3.560 1.00 63.01 H new ATOM 0 HA LEU A 7 -15.180 -1.417 -4.070 1.00 62.13 H new ATOM 0 HB2 LEU A 7 -17.322 -0.326 -5.447 1.00 22.02 H new ATOM 0 HB3 LEU A 7 -16.111 0.941 -5.458 1.00 22.02 H new ATOM 0 HG LEU A 7 -14.465 -0.852 -6.281 1.00 20.24 H new ATOM 0 HD11 LEU A 7 -15.463 -2.760 -7.466 1.00 61.11 H new ATOM 0 HD12 LEU A 7 -15.774 -2.822 -5.714 1.00 61.11 H new ATOM 0 HD13 LEU A 7 -17.064 -2.313 -6.829 1.00 61.11 H new ATOM 0 HD21 LEU A 7 -15.184 -0.573 -8.615 1.00 73.14 H new ATOM 0 HD22 LEU A 7 -16.766 0.016 -8.053 1.00 73.14 H new ATOM 0 HD23 LEU A 7 -15.292 0.947 -7.696 1.00 73.14 H new ATOM 102 N GLY A 8 -15.668 1.418 -2.545 1.00 3.42 N ATOM 103 CA GLY A 8 -15.000 2.484 -1.817 1.00 34.21 C ATOM 104 C GLY A 8 -14.313 1.945 -0.561 1.00 71.33 C ATOM 105 O GLY A 8 -13.097 2.057 -0.418 1.00 14.23 O ATOM 0 H GLY A 8 -16.686 1.429 -2.479 1.00 3.42 H new ATOM 0 HA2 GLY A 8 -14.263 2.963 -2.462 1.00 34.21 H new ATOM 0 HA3 GLY A 8 -15.725 3.249 -1.539 1.00 34.21 H new ATOM 109 N PHE A 9 -15.122 1.369 0.316 1.00 20.10 N ATOM 110 CA PHE A 9 -14.607 0.812 1.556 1.00 34.23 C ATOM 111 C PHE A 9 -13.397 -0.086 1.291 1.00 64.52 C ATOM 112 O PHE A 9 -12.358 0.062 1.933 1.00 61.32 O ATOM 113 CB PHE A 9 -15.729 -0.030 2.166 1.00 44.30 C ATOM 114 CG PHE A 9 -16.442 0.643 3.341 1.00 23.22 C ATOM 115 CD1 PHE A 9 -17.794 0.794 3.320 1.00 52.33 C ATOM 116 CD2 PHE A 9 -15.725 1.090 4.407 1.00 54.20 C ATOM 117 CE1 PHE A 9 -18.456 1.418 4.410 1.00 34.13 C ATOM 118 CE2 PHE A 9 -16.387 1.715 5.496 1.00 65.23 C ATOM 119 CZ PHE A 9 -17.739 1.865 5.475 1.00 11.32 C ATOM 0 H PHE A 9 -16.130 1.276 0.193 1.00 20.10 H new ATOM 0 HA PHE A 9 -14.291 1.614 2.223 1.00 34.23 H new ATOM 0 HB2 PHE A 9 -16.461 -0.257 1.391 1.00 44.30 H new ATOM 0 HB3 PHE A 9 -15.315 -0.981 2.502 1.00 44.30 H new ATOM 0 HD1 PHE A 9 -18.364 0.439 2.474 1.00 52.33 H new ATOM 0 HD2 PHE A 9 -14.652 0.969 4.425 1.00 54.20 H new ATOM 0 HE1 PHE A 9 -19.529 1.538 4.393 1.00 34.13 H new ATOM 0 HE2 PHE A 9 -15.817 2.072 6.341 1.00 65.23 H new ATOM 0 HZ PHE A 9 -18.243 2.339 6.304 1.00 11.32 H new ATOM 129 N LEU A 10 -13.572 -0.998 0.346 1.00 12.11 N ATOM 130 CA LEU A 10 -12.507 -1.920 -0.011 1.00 64.30 C ATOM 131 C LEU A 10 -11.404 -1.158 -0.749 1.00 30.00 C ATOM 132 O LEU A 10 -10.231 -1.515 -0.658 1.00 4.23 O ATOM 133 CB LEU A 10 -13.067 -3.107 -0.797 1.00 74.42 C ATOM 134 CG LEU A 10 -12.887 -3.051 -2.315 1.00 34.24 C ATOM 135 CD1 LEU A 10 -11.493 -3.532 -2.720 1.00 71.34 C ATOM 136 CD2 LEU A 10 -13.993 -3.832 -3.029 1.00 12.54 C ATOM 0 H LEU A 10 -14.435 -1.118 -0.183 1.00 12.11 H new ATOM 0 HA LEU A 10 -12.055 -2.346 0.885 1.00 64.30 H new ATOM 0 HB2 LEU A 10 -12.594 -4.017 -0.428 1.00 74.42 H new ATOM 0 HB3 LEU A 10 -14.132 -3.191 -0.580 1.00 74.42 H new ATOM 0 HG LEU A 10 -12.973 -2.011 -2.630 1.00 34.24 H new ATOM 0 HD11 LEU A 10 -11.392 -3.482 -3.804 1.00 71.34 H new ATOM 0 HD12 LEU A 10 -10.739 -2.896 -2.255 1.00 71.34 H new ATOM 0 HD13 LEU A 10 -11.353 -4.561 -2.390 1.00 71.34 H new ATOM 0 HD21 LEU A 10 -13.841 -3.776 -4.107 1.00 12.54 H new ATOM 0 HD22 LEU A 10 -13.965 -4.875 -2.713 1.00 12.54 H new ATOM 0 HD23 LEU A 10 -14.963 -3.403 -2.777 1.00 12.54 H new ATOM 148 N GLY A 11 -11.821 -0.124 -1.463 1.00 32.03 N ATOM 149 CA GLY A 11 -10.883 0.692 -2.217 1.00 64.03 C ATOM 150 C GLY A 11 -9.851 1.338 -1.290 1.00 31.40 C ATOM 151 O GLY A 11 -8.709 1.563 -1.690 1.00 5.12 O ATOM 0 H GLY A 11 -12.795 0.168 -1.536 1.00 32.03 H new ATOM 0 HA2 GLY A 11 -10.375 0.077 -2.960 1.00 64.03 H new ATOM 0 HA3 GLY A 11 -11.424 1.466 -2.761 1.00 64.03 H new ATOM 155 N ALA A 12 -10.290 1.618 -0.073 1.00 43.32 N ATOM 156 CA ALA A 12 -9.418 2.233 0.914 1.00 14.02 C ATOM 157 C ALA A 12 -8.236 1.304 1.194 1.00 52.20 C ATOM 158 O ALA A 12 -7.085 1.741 1.199 1.00 64.51 O ATOM 159 CB ALA A 12 -10.221 2.553 2.177 1.00 33.22 C ATOM 0 H ALA A 12 -11.238 1.431 0.253 1.00 43.32 H new ATOM 0 HA ALA A 12 -9.016 3.173 0.537 1.00 14.02 H new ATOM 0 HB1 ALA A 12 -9.567 3.014 2.917 1.00 33.22 H new ATOM 0 HB2 ALA A 12 -11.030 3.240 1.929 1.00 33.22 H new ATOM 0 HB3 ALA A 12 -10.639 1.633 2.585 1.00 33.22 H new ATOM 165 N ALA A 13 -8.560 0.039 1.421 1.00 53.24 N ATOM 166 CA ALA A 13 -7.538 -0.956 1.701 1.00 64.11 C ATOM 167 C ALA A 13 -6.603 -1.075 0.495 1.00 43.12 C ATOM 168 O ALA A 13 -5.448 -1.473 0.638 1.00 43.11 O ATOM 169 CB ALA A 13 -8.204 -2.287 2.055 1.00 23.53 C ATOM 0 H ALA A 13 -9.515 -0.319 1.417 1.00 53.24 H new ATOM 0 HA ALA A 13 -6.935 -0.655 2.558 1.00 64.11 H new ATOM 0 HB1 ALA A 13 -7.437 -3.033 2.265 1.00 23.53 H new ATOM 0 HB2 ALA A 13 -8.834 -2.156 2.935 1.00 23.53 H new ATOM 0 HB3 ALA A 13 -8.816 -2.622 1.218 1.00 23.53 H new ATOM 175 N GLY A 14 -7.138 -0.723 -0.664 1.00 33.20 N ATOM 176 CA GLY A 14 -6.366 -0.785 -1.894 1.00 45.12 C ATOM 177 C GLY A 14 -5.227 0.237 -1.879 1.00 63.03 C ATOM 178 O GLY A 14 -4.062 -0.126 -2.029 1.00 12.00 O ATOM 0 H GLY A 14 -8.097 -0.394 -0.778 1.00 33.20 H new ATOM 0 HA2 GLY A 14 -5.958 -1.788 -2.021 1.00 45.12 H new ATOM 0 HA3 GLY A 14 -7.018 -0.596 -2.747 1.00 45.12 H new ATOM 182 N SER A 15 -5.606 1.493 -1.697 1.00 11.45 N ATOM 183 CA SER A 15 -4.630 2.571 -1.660 1.00 64.33 C ATOM 184 C SER A 15 -3.496 2.216 -0.697 1.00 2.11 C ATOM 185 O SER A 15 -2.391 2.745 -0.813 1.00 31.02 O ATOM 186 CB SER A 15 -5.284 3.891 -1.247 1.00 52.10 C ATOM 187 OG SER A 15 -4.796 4.990 -2.012 1.00 24.31 O ATOM 0 H SER A 15 -6.574 1.789 -1.574 1.00 11.45 H new ATOM 0 HA SER A 15 -4.221 2.698 -2.662 1.00 64.33 H new ATOM 0 HB2 SER A 15 -6.364 3.815 -1.370 1.00 52.10 H new ATOM 0 HB3 SER A 15 -5.096 4.074 -0.189 1.00 52.10 H new ATOM 0 HG SER A 15 -5.239 5.814 -1.720 1.00 24.31 H new ATOM 193 N LYS A 16 -3.807 1.323 0.232 1.00 15.24 N ATOM 194 CA LYS A 16 -2.826 0.893 1.214 1.00 22.14 C ATOM 195 C LYS A 16 -1.962 -0.216 0.612 1.00 13.43 C ATOM 196 O LYS A 16 -0.776 -0.012 0.355 1.00 41.51 O ATOM 197 CB LYS A 16 -3.517 0.494 2.520 1.00 1.30 C ATOM 198 CG LYS A 16 -4.488 1.582 2.982 1.00 20.43 C ATOM 199 CD LYS A 16 -3.749 2.699 3.722 1.00 62.22 C ATOM 200 CE LYS A 16 -3.848 4.021 2.959 1.00 12.12 C ATOM 201 NZ LYS A 16 -5.160 4.662 3.201 1.00 1.24 N ATOM 0 H LYS A 16 -4.724 0.886 0.325 1.00 15.24 H new ATOM 0 HA LYS A 16 -2.157 1.714 1.471 1.00 22.14 H new ATOM 0 HB2 LYS A 16 -4.056 -0.443 2.379 1.00 1.30 H new ATOM 0 HB3 LYS A 16 -2.768 0.318 3.292 1.00 1.30 H new ATOM 0 HG2 LYS A 16 -5.012 1.996 2.121 1.00 20.43 H new ATOM 0 HG3 LYS A 16 -5.244 1.146 3.635 1.00 20.43 H new ATOM 0 HD2 LYS A 16 -4.170 2.819 4.720 1.00 62.22 H new ATOM 0 HD3 LYS A 16 -2.701 2.425 3.848 1.00 62.22 H new ATOM 0 HE2 LYS A 16 -3.046 4.690 3.273 1.00 12.12 H new ATOM 0 HE3 LYS A 16 -3.715 3.843 1.892 1.00 12.12 H new ATOM 0 HZ1 LYS A 16 -5.211 5.558 2.676 1.00 1.24 H new ATOM 0 HZ2 LYS A 16 -5.920 4.029 2.880 1.00 1.24 H new ATOM 0 HZ3 LYS A 16 -5.272 4.850 4.218 1.00 1.24 H new ATOM 214 N LYS A 17 -2.587 -1.365 0.405 1.00 61.51 N ATOM 215 CA LYS A 17 -1.889 -2.506 -0.162 1.00 51.41 C ATOM 216 C LYS A 17 -2.082 -2.514 -1.679 1.00 34.51 C ATOM 217 O LYS A 17 -2.599 -3.480 -2.238 1.00 54.43 O ATOM 218 CB LYS A 17 -2.335 -3.800 0.521 1.00 50.12 C ATOM 219 CG LYS A 17 -1.159 -4.764 0.689 1.00 41.14 C ATOM 220 CD LYS A 17 -0.282 -4.360 1.877 1.00 74.42 C ATOM 221 CE LYS A 17 0.433 -5.575 2.470 1.00 20.53 C ATOM 222 NZ LYS A 17 1.817 -5.223 2.859 1.00 60.13 N ATOM 0 H LYS A 17 -3.570 -1.531 0.620 1.00 61.51 H new ATOM 0 HA LYS A 17 -0.818 -2.428 0.023 1.00 51.41 H new ATOM 0 HB2 LYS A 17 -2.765 -3.571 1.496 1.00 50.12 H new ATOM 0 HB3 LYS A 17 -3.118 -4.276 -0.069 1.00 50.12 H new ATOM 0 HG2 LYS A 17 -1.533 -5.777 0.837 1.00 41.14 H new ATOM 0 HG3 LYS A 17 -0.561 -4.775 -0.222 1.00 41.14 H new ATOM 0 HD2 LYS A 17 0.453 -3.622 1.556 1.00 74.42 H new ATOM 0 HD3 LYS A 17 -0.896 -3.886 2.642 1.00 74.42 H new ATOM 0 HE2 LYS A 17 -0.114 -5.938 3.340 1.00 20.53 H new ATOM 0 HE3 LYS A 17 0.449 -6.386 1.742 1.00 20.53 H new ATOM 0 HZ1 LYS A 17 2.288 -6.059 3.260 1.00 60.13 H new ATOM 0 HZ2 LYS A 17 2.341 -4.898 2.021 1.00 60.13 H new ATOM 0 HZ3 LYS A 17 1.795 -4.464 3.570 1.00 60.13 H new HETATM 235 C1 ACA A 18 1.466 2.838 -6.554 1.00 75.22 C HETATM 236 O1 ACA A 18 1.595 3.851 -5.870 1.00 1.03 O HETATM 237 C2 ACA A 18 0.681 1.963 -5.655 1.00 41.01 C HETATM 238 C3 ACA A 18 0.329 0.650 -6.356 1.00 12.21 C HETATM 239 C4 ACA A 18 -0.906 0.005 -5.724 1.00 41.12 C HETATM 240 C5 ACA A 18 -0.600 -0.497 -4.312 1.00 11.45 C HETATM 241 C6 ACA A 18 -1.776 -1.294 -3.746 1.00 62.23 C HETATM 242 N6 ACA A 18 -1.656 -1.425 -2.304 1.00 64.42 N HETATM 0 HN61 ACA A 18 -0.861 -1.009 -1.819 1.00 64.42 H new HETATM 0 H62 ACA A 18 -2.713 -0.796 -3.995 1.00 62.23 H new HETATM 0 H61 ACA A 18 -1.808 -2.282 -4.205 1.00 62.23 H new HETATM 0 H52 ACA A 18 0.292 -1.123 -4.330 1.00 11.45 H new HETATM 0 H51 ACA A 18 -0.383 0.349 -3.661 1.00 11.45 H new HETATM 0 H42 ACA A 18 -1.720 0.729 -5.688 1.00 41.12 H new HETATM 0 H41 ACA A 18 -1.244 -0.825 -6.344 1.00 41.12 H new HETATM 0 H32 ACA A 18 0.145 0.836 -7.414 1.00 12.21 H new HETATM 0 H31 ACA A 18 1.173 -0.037 -6.295 1.00 12.21 H new HETATM 0 H22 ACA A 18 1.252 1.757 -4.750 1.00 41.01 H new HETATM 0 H21 ACA A 18 -0.232 2.473 -5.347 1.00 41.01 H new ATOM 254 N LYS A 19 2.468 2.187 -7.128 1.00 31.44 N ATOM 255 CA LYS A 19 3.839 2.646 -6.982 1.00 33.14 C ATOM 256 C LYS A 19 4.074 3.842 -7.908 1.00 40.32 C ATOM 257 O LYS A 19 4.165 4.979 -7.447 1.00 13.14 O ATOM 258 CB LYS A 19 4.817 1.492 -7.209 1.00 21.32 C ATOM 259 CG LYS A 19 4.389 0.249 -6.427 1.00 63.02 C ATOM 260 CD LYS A 19 5.507 -0.225 -5.495 1.00 73.51 C ATOM 261 CE LYS A 19 5.374 -1.719 -5.195 1.00 50.41 C ATOM 262 NZ LYS A 19 5.927 -2.030 -3.858 1.00 41.22 N ATOM 0 HA LYS A 19 4.019 2.991 -5.964 1.00 33.14 H new ATOM 0 HB2 LYS A 19 4.868 1.257 -8.272 1.00 21.32 H new ATOM 0 HB3 LYS A 19 5.818 1.793 -6.901 1.00 21.32 H new ATOM 0 HG2 LYS A 19 3.495 0.472 -5.844 1.00 63.02 H new ATOM 0 HG3 LYS A 19 4.127 -0.549 -7.121 1.00 63.02 H new ATOM 0 HD2 LYS A 19 6.476 -0.027 -5.954 1.00 73.51 H new ATOM 0 HD3 LYS A 19 5.474 0.341 -4.564 1.00 73.51 H new ATOM 0 HE2 LYS A 19 4.325 -2.013 -5.239 1.00 50.41 H new ATOM 0 HE3 LYS A 19 5.899 -2.297 -5.956 1.00 50.41 H new ATOM 0 HZ1 LYS A 19 5.829 -3.048 -3.670 1.00 41.22 H new ATOM 0 HZ2 LYS A 19 6.933 -1.768 -3.829 1.00 41.22 H new ATOM 0 HZ3 LYS A 19 5.408 -1.493 -3.134 1.00 41.22 H new ATOM 275 N ASN A 20 4.164 3.545 -9.196 1.00 42.21 N ATOM 276 CA ASN A 20 4.387 4.581 -10.190 1.00 4.15 C ATOM 277 C ASN A 20 3.651 4.211 -11.479 1.00 55.22 C ATOM 278 O ASN A 20 2.701 4.886 -11.871 1.00 50.15 O ATOM 279 CB ASN A 20 5.875 4.720 -10.516 1.00 12.14 C ATOM 280 CG ASN A 20 6.545 5.742 -9.595 1.00 33.21 C ATOM 281 OD1 ASN A 20 7.316 5.408 -8.711 1.00 2.05 O ATOM 282 ND2 ASN A 20 6.209 7.003 -9.851 1.00 34.22 N ATOM 0 H ASN A 20 4.086 2.601 -9.574 1.00 42.21 H new ATOM 0 HA ASN A 20 4.018 5.523 -9.785 1.00 4.15 H new ATOM 0 HB2 ASN A 20 6.366 3.753 -10.410 1.00 12.14 H new ATOM 0 HB3 ASN A 20 5.996 5.027 -11.555 1.00 12.14 H new ATOM 0 HD21 ASN A 20 6.603 7.759 -9.292 1.00 34.22 H new ATOM 0 HD22 ASN A 20 5.557 7.214 -10.607 1.00 34.22 H new ATOM 289 N GLU A 21 4.121 3.140 -12.103 1.00 42.22 N ATOM 290 CA GLU A 21 3.520 2.672 -13.341 1.00 5.22 C ATOM 291 C GLU A 21 2.100 2.164 -13.083 1.00 0.14 C ATOM 292 O GLU A 21 1.247 2.222 -13.967 1.00 65.13 O ATOM 293 CB GLU A 21 4.380 1.587 -13.992 1.00 40.41 C ATOM 294 CG GLU A 21 3.516 0.596 -14.772 1.00 25.52 C ATOM 295 CD GLU A 21 4.345 -0.152 -15.816 1.00 74.52 C ATOM 296 OE1 GLU A 21 3.862 -1.129 -16.409 1.00 43.34 O ATOM 297 OE2 GLU A 21 5.532 0.314 -16.006 1.00 54.41 O ATOM 0 H GLU A 21 4.910 2.584 -11.775 1.00 42.22 H new ATOM 0 HA GLU A 21 3.465 3.511 -14.035 1.00 5.22 H new ATOM 0 HB2 GLU A 21 5.106 2.047 -14.662 1.00 40.41 H new ATOM 0 HB3 GLU A 21 4.945 1.057 -13.225 1.00 40.41 H new ATOM 0 HG2 GLU A 21 3.063 -0.117 -14.083 1.00 25.52 H new ATOM 0 HG3 GLU A 21 2.700 1.127 -15.263 1.00 25.52 H new ATOM 305 N GLN A 22 1.891 1.679 -11.867 1.00 34.11 N ATOM 306 CA GLN A 22 0.589 1.162 -11.482 1.00 73.32 C ATOM 307 C GLN A 22 -0.447 2.289 -11.469 1.00 45.42 C ATOM 308 O GLN A 22 -1.528 2.149 -12.039 1.00 4.11 O ATOM 309 CB GLN A 22 0.658 0.463 -10.123 1.00 24.55 C ATOM 310 CG GLN A 22 0.713 -1.056 -10.289 1.00 33.51 C ATOM 311 CD GLN A 22 0.005 -1.761 -9.131 1.00 61.33 C ATOM 312 OE1 GLN A 22 -1.198 -1.667 -8.955 1.00 4.05 O ATOM 313 NE2 GLN A 22 0.817 -2.472 -8.353 1.00 5.54 N ATOM 0 H GLN A 22 2.601 1.633 -11.136 1.00 34.11 H new ATOM 0 HA GLN A 22 0.280 0.421 -12.219 1.00 73.32 H new ATOM 0 HB2 GLN A 22 1.538 0.805 -9.579 1.00 24.55 H new ATOM 0 HB3 GLN A 22 -0.212 0.736 -9.525 1.00 24.55 H new ATOM 0 HG2 GLN A 22 0.246 -1.339 -11.232 1.00 33.51 H new ATOM 0 HG3 GLN A 22 1.752 -1.383 -10.337 1.00 33.51 H new ATOM 0 HE21 GLN A 22 1.816 -2.509 -8.557 1.00 5.54 H new ATOM 0 HE22 GLN A 22 0.441 -2.981 -7.553 1.00 5.54 H new ATOM 322 N GLU A 23 -0.080 3.379 -10.812 1.00 3.22 N ATOM 323 CA GLU A 23 -0.964 4.529 -10.717 1.00 44.54 C ATOM 324 C GLU A 23 -1.383 4.993 -12.113 1.00 72.14 C ATOM 325 O GLU A 23 -2.501 5.470 -12.303 1.00 54.23 O ATOM 326 CB GLU A 23 -0.302 5.666 -9.936 1.00 51.11 C ATOM 327 CG GLU A 23 -0.127 5.291 -8.463 1.00 63.22 C ATOM 328 CD GLU A 23 0.745 6.317 -7.736 1.00 22.42 C ATOM 329 OE1 GLU A 23 0.581 6.522 -6.524 1.00 64.33 O ATOM 330 OE2 GLU A 23 1.618 6.911 -8.476 1.00 41.20 O ATOM 0 H GLU A 23 0.817 3.491 -10.340 1.00 3.22 H new ATOM 0 HA GLU A 23 -1.859 4.231 -10.171 1.00 44.54 H new ATOM 0 HB2 GLU A 23 0.669 5.896 -10.374 1.00 51.11 H new ATOM 0 HB3 GLU A 23 -0.909 6.568 -10.016 1.00 51.11 H new ATOM 0 HG2 GLU A 23 -1.103 5.231 -7.981 1.00 63.22 H new ATOM 0 HG3 GLU A 23 0.327 4.303 -8.387 1.00 63.22 H new ATOM 338 N LEU A 24 -0.463 4.836 -13.055 1.00 64.30 N ATOM 339 CA LEU A 24 -0.725 5.233 -14.428 1.00 54.32 C ATOM 340 C LEU A 24 -1.680 4.228 -15.072 1.00 64.41 C ATOM 341 O LEU A 24 -2.555 4.608 -15.849 1.00 42.14 O ATOM 342 CB LEU A 24 0.589 5.410 -15.193 1.00 43.25 C ATOM 343 CG LEU A 24 0.468 5.952 -16.618 1.00 23.13 C ATOM 344 CD1 LEU A 24 0.142 4.831 -17.605 1.00 55.03 C ATOM 345 CD2 LEU A 24 -0.553 7.090 -16.687 1.00 5.20 C ATOM 0 H LEU A 24 0.463 4.440 -12.894 1.00 64.30 H new ATOM 0 HA LEU A 24 -1.218 6.204 -14.456 1.00 54.32 H new ATOM 0 HB2 LEU A 24 1.230 6.082 -14.623 1.00 43.25 H new ATOM 0 HB3 LEU A 24 1.095 4.445 -15.234 1.00 43.25 H new ATOM 0 HG LEU A 24 1.433 6.367 -16.908 1.00 23.13 H new ATOM 0 HD11 LEU A 24 0.061 5.244 -18.611 1.00 55.03 H new ATOM 0 HD12 LEU A 24 0.935 4.084 -17.582 1.00 55.03 H new ATOM 0 HD13 LEU A 24 -0.803 4.365 -17.327 1.00 55.03 H new ATOM 0 HD21 LEU A 24 -0.620 7.457 -17.711 1.00 5.20 H new ATOM 0 HD22 LEU A 24 -1.529 6.723 -16.369 1.00 5.20 H new ATOM 0 HD23 LEU A 24 -0.239 7.901 -16.030 1.00 5.20 H new ATOM 357 N LEU A 25 -1.481 2.964 -14.727 1.00 52.13 N ATOM 358 CA LEU A 25 -2.314 1.902 -15.262 1.00 65.13 C ATOM 359 C LEU A 25 -3.748 2.079 -14.756 1.00 54.00 C ATOM 360 O LEU A 25 -4.703 1.765 -15.464 1.00 1.22 O ATOM 361 CB LEU A 25 -1.713 0.533 -14.936 1.00 74.23 C ATOM 362 CG LEU A 25 -2.666 -0.660 -15.037 1.00 1.24 C ATOM 363 CD1 LEU A 25 -2.317 -1.541 -16.238 1.00 4.05 C ATOM 364 CD2 LEU A 25 -2.688 -1.455 -13.730 1.00 5.42 C ATOM 0 H LEU A 25 -0.754 2.652 -14.083 1.00 52.13 H new ATOM 0 HA LEU A 25 -2.350 1.959 -16.350 1.00 65.13 H new ATOM 0 HB2 LEU A 25 -0.872 0.359 -15.607 1.00 74.23 H new ATOM 0 HB3 LEU A 25 -1.311 0.567 -13.923 1.00 74.23 H new ATOM 0 HG LEU A 25 -3.674 -0.279 -15.200 1.00 1.24 H new ATOM 0 HD11 LEU A 25 -3.010 -2.381 -16.286 1.00 4.05 H new ATOM 0 HD12 LEU A 25 -2.393 -0.955 -17.154 1.00 4.05 H new ATOM 0 HD13 LEU A 25 -1.299 -1.916 -16.131 1.00 4.05 H new ATOM 0 HD21 LEU A 25 -3.373 -2.297 -13.828 1.00 5.42 H new ATOM 0 HD22 LEU A 25 -1.686 -1.825 -13.512 1.00 5.42 H new ATOM 0 HD23 LEU A 25 -3.021 -0.810 -12.917 1.00 5.42 H new ATOM 376 N GLU A 26 -3.852 2.582 -13.534 1.00 73.14 N ATOM 377 CA GLU A 26 -5.151 2.804 -12.926 1.00 4.05 C ATOM 378 C GLU A 26 -6.021 3.676 -13.834 1.00 64.43 C ATOM 379 O GLU A 26 -7.190 3.367 -14.063 1.00 32.12 O ATOM 380 CB GLU A 26 -5.007 3.434 -11.539 1.00 3.21 C ATOM 381 CG GLU A 26 -5.919 2.741 -10.524 1.00 22.04 C ATOM 382 CD GLU A 26 -5.210 1.556 -9.867 1.00 71.21 C ATOM 383 OE1 GLU A 26 -3.981 1.430 -9.979 1.00 42.11 O ATOM 384 OE2 GLU A 26 -5.981 0.748 -9.223 1.00 45.23 O ATOM 0 H GLU A 26 -3.057 2.842 -12.950 1.00 73.14 H new ATOM 0 HA GLU A 26 -5.641 1.838 -12.803 1.00 4.05 H new ATOM 0 HB2 GLU A 26 -3.970 3.363 -11.209 1.00 3.21 H new ATOM 0 HB3 GLU A 26 -5.254 4.495 -11.590 1.00 3.21 H new ATOM 0 HG2 GLU A 26 -6.226 3.455 -9.759 1.00 22.04 H new ATOM 0 HG3 GLU A 26 -6.826 2.396 -11.021 1.00 22.04 H new ATOM 392 N LEU A 27 -5.417 4.748 -14.327 1.00 61.43 N ATOM 393 CA LEU A 27 -6.123 5.666 -15.206 1.00 41.34 C ATOM 394 C LEU A 27 -6.485 4.944 -16.505 1.00 3.21 C ATOM 395 O LEU A 27 -7.518 5.229 -17.110 1.00 0.13 O ATOM 396 CB LEU A 27 -5.302 6.939 -15.419 1.00 11.45 C ATOM 397 CG LEU A 27 -6.085 8.254 -15.393 1.00 50.45 C ATOM 398 CD1 LEU A 27 -6.978 8.384 -16.629 1.00 14.24 C ATOM 399 CD2 LEU A 27 -6.882 8.392 -14.094 1.00 53.14 C ATOM 0 H LEU A 27 -4.448 5.001 -14.135 1.00 61.43 H new ATOM 0 HA LEU A 27 -7.058 5.989 -14.749 1.00 41.34 H new ATOM 0 HB2 LEU A 27 -4.531 6.983 -14.650 1.00 11.45 H new ATOM 0 HB3 LEU A 27 -4.791 6.862 -16.379 1.00 11.45 H new ATOM 0 HG LEU A 27 -5.371 9.077 -15.422 1.00 50.45 H new ATOM 0 HD11 LEU A 27 -7.523 9.327 -16.586 1.00 14.24 H new ATOM 0 HD12 LEU A 27 -6.361 8.362 -17.527 1.00 14.24 H new ATOM 0 HD13 LEU A 27 -7.686 7.556 -16.655 1.00 14.24 H new ATOM 0 HD21 LEU A 27 -7.429 9.335 -14.101 1.00 53.14 H new ATOM 0 HD22 LEU A 27 -7.586 7.564 -14.010 1.00 53.14 H new ATOM 0 HD23 LEU A 27 -6.199 8.375 -13.245 1.00 53.14 H new ATOM 411 N ASP A 28 -5.617 4.023 -16.895 1.00 61.15 N ATOM 412 CA ASP A 28 -5.834 3.257 -18.112 1.00 10.44 C ATOM 413 C ASP A 28 -7.173 2.523 -18.016 1.00 43.41 C ATOM 414 O ASP A 28 -7.928 2.474 -18.985 1.00 63.34 O ATOM 415 CB ASP A 28 -4.734 2.212 -18.308 1.00 2.32 C ATOM 416 CG ASP A 28 -4.004 2.286 -19.650 1.00 12.32 C ATOM 417 OD1 ASP A 28 -4.526 1.851 -20.686 1.00 32.14 O ATOM 418 OD2 ASP A 28 -2.831 2.824 -19.603 1.00 65.43 O ATOM 0 H ASP A 28 -4.762 3.789 -16.391 1.00 61.15 H new ATOM 0 HA ASP A 28 -5.826 3.950 -18.953 1.00 10.44 H new ATOM 0 HB2 ASP A 28 -4.003 2.322 -17.507 1.00 2.32 H new ATOM 0 HB3 ASP A 28 -5.174 1.220 -18.205 1.00 2.32 H new ATOM 424 N LYS A 29 -7.426 1.972 -16.837 1.00 75.32 N ATOM 425 CA LYS A 29 -8.660 1.242 -16.602 1.00 34.45 C ATOM 426 C LYS A 29 -9.822 2.234 -16.500 1.00 52.32 C ATOM 427 O LYS A 29 -10.923 1.956 -16.970 1.00 2.30 O ATOM 428 CB LYS A 29 -8.520 0.331 -15.382 1.00 14.02 C ATOM 429 CG LYS A 29 -9.802 0.332 -14.546 1.00 15.13 C ATOM 430 CD LYS A 29 -9.830 -0.856 -13.584 1.00 73.42 C ATOM 431 CE LYS A 29 -9.921 -2.179 -14.350 1.00 2.04 C ATOM 432 NZ LYS A 29 -8.577 -2.777 -14.512 1.00 73.50 N ATOM 0 H LYS A 29 -6.797 2.017 -16.035 1.00 75.32 H new ATOM 0 HA LYS A 29 -8.877 0.580 -17.441 1.00 34.45 H new ATOM 0 HB2 LYS A 29 -8.294 -0.685 -15.706 1.00 14.02 H new ATOM 0 HB3 LYS A 29 -7.682 0.664 -14.770 1.00 14.02 H new ATOM 0 HG2 LYS A 29 -9.872 1.262 -13.983 1.00 15.13 H new ATOM 0 HG3 LYS A 29 -10.670 0.292 -15.204 1.00 15.13 H new ATOM 0 HD2 LYS A 29 -8.932 -0.850 -12.967 1.00 73.42 H new ATOM 0 HD3 LYS A 29 -10.681 -0.763 -12.910 1.00 73.42 H new ATOM 0 HE2 LYS A 29 -10.572 -2.871 -13.816 1.00 2.04 H new ATOM 0 HE3 LYS A 29 -10.371 -2.009 -15.328 1.00 2.04 H new ATOM 0 HZ1 LYS A 29 -8.429 -3.034 -15.509 1.00 73.50 H new ATOM 0 HZ2 LYS A 29 -7.854 -2.089 -14.221 1.00 73.50 H new ATOM 0 HZ3 LYS A 29 -8.503 -3.629 -13.920 1.00 73.50 H new ATOM 445 N TRP A 30 -9.534 3.370 -15.881 1.00 24.31 N ATOM 446 CA TRP A 30 -10.540 4.404 -15.710 1.00 30.42 C ATOM 447 C TRP A 30 -10.924 4.925 -17.097 1.00 42.44 C ATOM 448 O TRP A 30 -12.040 5.403 -17.298 1.00 54.32 O ATOM 449 CB TRP A 30 -10.040 5.507 -14.775 1.00 60.42 C ATOM 450 CG TRP A 30 -11.146 6.424 -14.248 1.00 15.51 C ATOM 451 CD1 TRP A 30 -11.656 6.474 -13.010 1.00 64.02 C ATOM 452 CD2 TRP A 30 -11.859 7.429 -14.998 1.00 22.42 C ATOM 453 NE1 TRP A 30 -12.644 7.432 -12.908 1.00 1.13 N ATOM 454 CE2 TRP A 30 -12.770 8.032 -14.155 1.00 31.40 C ATOM 455 CE3 TRP A 30 -11.739 7.817 -16.344 1.00 71.12 C ATOM 456 CZ2 TRP A 30 -13.632 9.058 -14.565 1.00 43.13 C ATOM 457 CZ3 TRP A 30 -12.606 8.842 -16.739 1.00 3.34 C ATOM 458 CH2 TRP A 30 -13.529 9.460 -15.902 1.00 43.22 C ATOM 0 H TRP A 30 -8.619 3.597 -15.492 1.00 24.31 H new ATOM 0 HA TRP A 30 -11.431 3.999 -15.231 1.00 30.42 H new ATOM 0 HB2 TRP A 30 -9.529 5.048 -13.929 1.00 60.42 H new ATOM 0 HB3 TRP A 30 -9.302 6.111 -15.304 1.00 60.42 H new ATOM 0 HD1 TRP A 30 -11.334 5.844 -12.194 1.00 64.02 H new ATOM 0 HE1 TRP A 30 -13.182 7.658 -12.072 1.00 1.13 H new ATOM 0 HE3 TRP A 30 -11.032 7.359 -17.021 1.00 71.12 H new ATOM 0 HZ2 TRP A 30 -14.338 9.514 -13.886 1.00 43.13 H new ATOM 0 HZ3 TRP A 30 -12.555 9.176 -17.765 1.00 3.34 H new ATOM 0 HH2 TRP A 30 -14.164 10.247 -16.282 1.00 43.22 H new ATOM 469 N ALA A 31 -9.978 4.814 -18.018 1.00 32.20 N ATOM 470 CA ALA A 31 -10.202 5.267 -19.380 1.00 20.34 C ATOM 471 C ALA A 31 -11.462 4.598 -19.934 1.00 50.22 C ATOM 472 O ALA A 31 -12.153 5.170 -20.775 1.00 33.53 O ATOM 473 CB ALA A 31 -8.964 4.971 -20.228 1.00 40.42 C ATOM 0 H ALA A 31 -9.054 4.417 -17.847 1.00 32.20 H new ATOM 0 HA ALA A 31 -10.362 6.345 -19.404 1.00 20.34 H new ATOM 0 HB1 ALA A 31 -9.133 5.311 -21.250 1.00 40.42 H new ATOM 0 HB2 ALA A 31 -8.103 5.493 -19.810 1.00 40.42 H new ATOM 0 HB3 ALA A 31 -8.772 3.898 -20.230 1.00 40.42 H new ATOM 479 N SER A 32 -11.721 3.397 -19.440 1.00 71.23 N ATOM 480 CA SER A 32 -12.885 2.643 -19.876 1.00 35.12 C ATOM 481 C SER A 32 -14.145 3.501 -19.736 1.00 44.14 C ATOM 482 O SER A 32 -15.071 3.383 -20.536 1.00 21.13 O ATOM 483 CB SER A 32 -13.033 1.347 -19.077 1.00 70.12 C ATOM 484 OG SER A 32 -13.603 0.301 -19.858 1.00 61.34 O ATOM 0 H SER A 32 -11.145 2.927 -18.742 1.00 71.23 H new ATOM 0 HA SER A 32 -12.748 2.377 -20.924 1.00 35.12 H new ATOM 0 HB2 SER A 32 -12.056 1.034 -18.710 1.00 70.12 H new ATOM 0 HB3 SER A 32 -13.659 1.529 -18.203 1.00 70.12 H new ATOM 0 HG SER A 32 -13.679 -0.510 -19.313 1.00 61.34 H new ATOM 490 N LEU A 33 -14.139 4.342 -18.713 1.00 14.13 N ATOM 491 CA LEU A 33 -15.269 5.218 -18.458 1.00 2.33 C ATOM 492 C LEU A 33 -15.583 6.020 -19.722 1.00 22.21 C ATOM 493 O LEU A 33 -16.733 6.079 -20.155 1.00 2.53 O ATOM 494 CB LEU A 33 -15.006 6.088 -17.227 1.00 21.33 C ATOM 495 CG LEU A 33 -16.195 6.296 -16.286 1.00 42.33 C ATOM 496 CD1 LEU A 33 -15.733 6.374 -14.829 1.00 75.03 C ATOM 497 CD2 LEU A 33 -17.011 7.523 -16.696 1.00 44.41 C ATOM 0 H LEU A 33 -13.369 4.435 -18.051 1.00 14.13 H new ATOM 0 HA LEU A 33 -16.158 4.633 -18.222 1.00 2.33 H new ATOM 0 HB2 LEU A 33 -14.191 5.640 -16.658 1.00 21.33 H new ATOM 0 HB3 LEU A 33 -14.660 7.065 -17.564 1.00 21.33 H new ATOM 0 HG LEU A 33 -16.853 5.431 -16.369 1.00 42.33 H new ATOM 0 HD11 LEU A 33 -16.597 6.522 -14.181 1.00 75.03 H new ATOM 0 HD12 LEU A 33 -15.230 5.446 -14.557 1.00 75.03 H new ATOM 0 HD13 LEU A 33 -15.043 7.209 -14.710 1.00 75.03 H new ATOM 0 HD21 LEU A 33 -17.850 7.648 -16.011 1.00 44.41 H new ATOM 0 HD22 LEU A 33 -16.378 8.410 -16.660 1.00 44.41 H new ATOM 0 HD23 LEU A 33 -17.388 7.387 -17.710 1.00 44.41 H new ATOM 509 N TRP A 34 -14.540 6.618 -20.279 1.00 32.20 N ATOM 510 CA TRP A 34 -14.690 7.414 -21.486 1.00 1.51 C ATOM 511 C TRP A 34 -15.482 6.589 -22.501 1.00 21.35 C ATOM 512 O TRP A 34 -16.555 7.001 -22.939 1.00 64.32 O ATOM 513 CB TRP A 34 -13.328 7.867 -22.016 1.00 21.43 C ATOM 514 CG TRP A 34 -12.764 9.100 -21.308 1.00 13.11 C ATOM 515 CD1 TRP A 34 -12.002 9.143 -20.206 1.00 63.13 C ATOM 516 CD2 TRP A 34 -12.949 10.477 -21.700 1.00 50.52 C ATOM 517 NE1 TRP A 34 -11.684 10.440 -19.861 1.00 11.24 N ATOM 518 CE2 TRP A 34 -12.277 11.277 -20.798 1.00 21.02 C ATOM 519 CE3 TRP A 34 -13.659 11.028 -22.782 1.00 43.45 C ATOM 520 CZ2 TRP A 34 -12.250 12.675 -20.886 1.00 2.31 C ATOM 521 CZ3 TRP A 34 -13.622 12.426 -22.854 1.00 61.42 C ATOM 522 CH2 TRP A 34 -12.951 13.245 -21.955 1.00 42.41 C ATOM 0 H TRP A 34 -13.588 6.567 -19.917 1.00 32.20 H new ATOM 0 HA TRP A 34 -15.241 8.331 -21.278 1.00 1.51 H new ATOM 0 HB2 TRP A 34 -12.618 7.046 -21.914 1.00 21.43 H new ATOM 0 HB3 TRP A 34 -13.417 8.081 -23.081 1.00 21.43 H new ATOM 0 HD1 TRP A 34 -11.678 8.271 -19.657 1.00 63.13 H new ATOM 0 HE1 TRP A 34 -11.118 10.731 -19.064 1.00 11.24 H new ATOM 0 HE3 TRP A 34 -14.190 10.421 -23.500 1.00 43.45 H new ATOM 0 HZ2 TRP A 34 -11.717 13.280 -20.168 1.00 2.31 H new ATOM 0 HZ3 TRP A 34 -14.153 12.901 -23.666 1.00 61.42 H new ATOM 0 HH2 TRP A 34 -12.970 14.318 -22.080 1.00 42.41 H new ATOM 533 N ASN A 35 -14.924 5.438 -22.847 1.00 12.14 N ATOM 534 CA ASN A 35 -15.565 4.552 -23.803 1.00 1.32 C ATOM 535 C ASN A 35 -17.013 4.309 -23.374 1.00 22.44 C ATOM 536 O ASN A 35 -17.736 3.548 -24.017 1.00 13.34 O ATOM 537 CB ASN A 35 -14.855 3.198 -23.860 1.00 44.14 C ATOM 538 CG ASN A 35 -14.289 2.933 -25.256 1.00 63.41 C ATOM 539 OD1 ASN A 35 -13.284 3.491 -25.662 1.00 21.14 O ATOM 540 ND2 ASN A 35 -14.990 2.052 -25.966 1.00 3.21 N ATOM 0 H ASN A 35 -14.034 5.099 -22.482 1.00 12.14 H new ATOM 0 HA ASN A 35 -15.520 5.024 -24.784 1.00 1.32 H new ATOM 0 HB2 ASN A 35 -14.049 3.175 -23.127 1.00 44.14 H new ATOM 0 HB3 ASN A 35 -15.553 2.406 -23.591 1.00 44.14 H new ATOM 0 HD21 ASN A 35 -14.694 1.808 -26.911 1.00 3.21 H new ATOM 0 HD22 ASN A 35 -15.823 1.621 -25.565 1.00 3.21 H new TER 547 ASN A 35