USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, 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 NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -35:sc= 1.1 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+ 163:sc= -0.0377 (180deg=-0.391) USER MOD Single : A 20 ASN : amide:sc= -0.0541 X(o=-0.054,f=-0.26) USER MOD Single : A 22 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.052) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00329 X(o=-0.0033,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.779 0.488 -3.656 1.00 34.54 N ATOM 2 CA GLY A 1 -26.249 1.741 -3.149 1.00 12.24 C ATOM 3 C GLY A 1 -25.131 1.494 -2.136 1.00 51.25 C ATOM 4 O GLY A 1 -23.978 1.850 -2.378 1.00 12.04 O ATOM 0 H1 GLY A 1 -27.536 0.683 -4.342 1.00 34.54 H new ATOM 0 H2 GLY A 1 -26.019 -0.047 -4.123 1.00 34.54 H new ATOM 0 H3 GLY A 1 -27.162 -0.071 -2.867 1.00 34.54 H new ATOM 0 HA2 GLY A 1 -25.869 2.340 -3.976 1.00 12.24 H new ATOM 0 HA3 GLY A 1 -27.049 2.315 -2.681 1.00 12.24 H new ATOM 8 N ILE A 2 -25.509 0.886 -1.020 1.00 1.11 N ATOM 9 CA ILE A 2 -24.552 0.587 0.031 1.00 63.13 C ATOM 10 C ILE A 2 -23.436 -0.293 -0.536 1.00 62.33 C ATOM 11 O ILE A 2 -22.260 -0.069 -0.254 1.00 72.22 O ATOM 12 CB ILE A 2 -25.260 -0.022 1.243 1.00 25.33 C ATOM 13 CG1 ILE A 2 -24.456 0.214 2.523 1.00 63.35 C ATOM 14 CG2 ILE A 2 -25.555 -1.506 1.016 1.00 70.05 C ATOM 15 CD1 ILE A 2 -25.180 -0.369 3.739 1.00 42.22 C ATOM 0 H ILE A 2 -26.466 0.593 -0.822 1.00 1.11 H new ATOM 0 HA ILE A 2 -24.084 1.503 0.391 1.00 63.13 H new ATOM 0 HB ILE A 2 -26.219 0.481 1.368 1.00 25.33 H new ATOM 0 HG12 ILE A 2 -23.471 -0.243 2.428 1.00 63.35 H new ATOM 0 HG13 ILE A 2 -24.299 1.283 2.666 1.00 63.35 H new ATOM 0 HG21 ILE A 2 -26.058 -1.915 1.892 1.00 70.05 H new ATOM 0 HG22 ILE A 2 -26.197 -1.620 0.142 1.00 70.05 H new ATOM 0 HG23 ILE A 2 -24.620 -2.042 0.852 1.00 70.05 H new ATOM 0 HD11 ILE A 2 -24.588 -0.188 4.636 1.00 42.22 H new ATOM 0 HD12 ILE A 2 -26.155 0.107 3.845 1.00 42.22 H new ATOM 0 HD13 ILE A 2 -25.314 -1.442 3.603 1.00 42.22 H new ATOM 27 N GLY A 3 -23.845 -1.275 -1.326 1.00 70.32 N ATOM 28 CA GLY A 3 -22.894 -2.190 -1.935 1.00 51.23 C ATOM 29 C GLY A 3 -21.883 -1.435 -2.799 1.00 64.31 C ATOM 30 O GLY A 3 -20.704 -1.784 -2.831 1.00 72.11 O ATOM 0 H GLY A 3 -24.821 -1.457 -1.558 1.00 70.32 H new ATOM 0 HA2 GLY A 3 -22.370 -2.746 -1.158 1.00 51.23 H new ATOM 0 HA3 GLY A 3 -23.426 -2.920 -2.545 1.00 51.23 H new ATOM 34 N ALA A 4 -22.381 -0.413 -3.480 1.00 22.21 N ATOM 35 CA ALA A 4 -21.537 0.395 -4.343 1.00 11.23 C ATOM 36 C ALA A 4 -20.537 1.175 -3.486 1.00 73.31 C ATOM 37 O ALA A 4 -19.401 1.400 -3.901 1.00 24.43 O ATOM 38 CB ALA A 4 -22.411 1.313 -5.200 1.00 72.04 C ATOM 0 H ALA A 4 -23.359 -0.126 -3.451 1.00 22.21 H new ATOM 0 HA ALA A 4 -20.966 -0.238 -5.022 1.00 11.23 H new ATOM 0 HB1 ALA A 4 -21.777 1.919 -5.847 1.00 72.04 H new ATOM 0 HB2 ALA A 4 -23.082 0.710 -5.811 1.00 72.04 H new ATOM 0 HB3 ALA A 4 -22.997 1.965 -4.553 1.00 72.04 H new ATOM 44 N LEU A 5 -20.995 1.564 -2.305 1.00 32.55 N ATOM 45 CA LEU A 5 -20.156 2.313 -1.387 1.00 32.51 C ATOM 46 C LEU A 5 -19.124 1.371 -0.761 1.00 5.12 C ATOM 47 O LEU A 5 -17.990 1.771 -0.502 1.00 23.34 O ATOM 48 CB LEU A 5 -21.014 3.054 -0.360 1.00 51.42 C ATOM 49 CG LEU A 5 -20.700 4.539 -0.169 1.00 11.52 C ATOM 50 CD1 LEU A 5 -19.294 4.733 0.403 1.00 1.52 C ATOM 51 CD2 LEU A 5 -20.899 5.314 -1.474 1.00 60.12 C ATOM 0 H LEU A 5 -21.937 1.374 -1.963 1.00 32.55 H new ATOM 0 HA LEU A 5 -19.602 3.085 -1.921 1.00 32.51 H new ATOM 0 HB2 LEU A 5 -22.059 2.959 -0.653 1.00 51.42 H new ATOM 0 HB3 LEU A 5 -20.906 2.554 0.602 1.00 51.42 H new ATOM 0 HG LEU A 5 -21.403 4.946 0.558 1.00 11.52 H new ATOM 0 HD11 LEU A 5 -19.096 5.797 0.529 1.00 1.52 H new ATOM 0 HD12 LEU A 5 -19.222 4.234 1.369 1.00 1.52 H new ATOM 0 HD13 LEU A 5 -18.561 4.306 -0.281 1.00 1.52 H new ATOM 0 HD21 LEU A 5 -20.669 6.367 -1.311 1.00 60.12 H new ATOM 0 HD22 LEU A 5 -20.236 4.913 -2.240 1.00 60.12 H new ATOM 0 HD23 LEU A 5 -21.934 5.215 -1.802 1.00 60.12 H new ATOM 63 N PHE A 6 -19.556 0.139 -0.537 1.00 75.23 N ATOM 64 CA PHE A 6 -18.684 -0.863 0.053 1.00 63.41 C ATOM 65 C PHE A 6 -17.580 -1.273 -0.924 1.00 43.03 C ATOM 66 O PHE A 6 -16.427 -1.437 -0.530 1.00 42.23 O ATOM 67 CB PHE A 6 -19.553 -2.084 0.364 1.00 53.55 C ATOM 68 CG PHE A 6 -18.817 -3.195 1.117 1.00 2.21 C ATOM 69 CD1 PHE A 6 -18.141 -4.151 0.426 1.00 52.12 C ATOM 70 CD2 PHE A 6 -18.839 -3.225 2.476 1.00 52.03 C ATOM 71 CE1 PHE A 6 -17.458 -5.182 1.125 1.00 21.14 C ATOM 72 CE2 PHE A 6 -18.156 -4.256 3.175 1.00 21.23 C ATOM 73 CZ PHE A 6 -17.481 -5.213 2.484 1.00 33.30 C ATOM 0 H PHE A 6 -20.498 -0.188 -0.753 1.00 75.23 H new ATOM 0 HA PHE A 6 -18.209 -0.462 0.949 1.00 63.41 H new ATOM 0 HB2 PHE A 6 -20.412 -1.765 0.955 1.00 53.55 H new ATOM 0 HB3 PHE A 6 -19.942 -2.488 -0.571 1.00 53.55 H new ATOM 0 HD1 PHE A 6 -18.123 -4.127 -0.654 1.00 52.12 H new ATOM 0 HD2 PHE A 6 -19.376 -2.465 3.024 1.00 52.03 H new ATOM 0 HE1 PHE A 6 -16.920 -5.941 0.577 1.00 21.14 H new ATOM 0 HE2 PHE A 6 -18.173 -4.280 4.255 1.00 21.23 H new ATOM 0 HZ PHE A 6 -16.963 -5.998 3.015 1.00 33.30 H new ATOM 83 N LEU A 7 -17.972 -1.428 -2.180 1.00 23.14 N ATOM 84 CA LEU A 7 -17.031 -1.815 -3.216 1.00 32.42 C ATOM 85 C LEU A 7 -15.990 -0.709 -3.393 1.00 2.11 C ATOM 86 O LEU A 7 -14.796 -0.986 -3.503 1.00 23.03 O ATOM 87 CB LEU A 7 -17.772 -2.175 -4.506 1.00 60.34 C ATOM 88 CG LEU A 7 -18.061 -3.662 -4.720 1.00 23.53 C ATOM 89 CD1 LEU A 7 -16.773 -4.437 -5.000 1.00 71.11 C ATOM 90 CD2 LEU A 7 -18.837 -4.246 -3.537 1.00 42.42 C ATOM 0 H LEU A 7 -18.930 -1.292 -2.503 1.00 23.14 H new ATOM 0 HA LEU A 7 -16.492 -2.716 -2.923 1.00 32.42 H new ATOM 0 HB2 LEU A 7 -18.719 -1.635 -4.520 1.00 60.34 H new ATOM 0 HB3 LEU A 7 -17.186 -1.814 -5.351 1.00 60.34 H new ATOM 0 HG LEU A 7 -18.694 -3.763 -5.601 1.00 23.53 H new ATOM 0 HD11 LEU A 7 -17.008 -5.491 -5.148 1.00 71.11 H new ATOM 0 HD12 LEU A 7 -16.298 -4.041 -5.898 1.00 71.11 H new ATOM 0 HD13 LEU A 7 -16.094 -4.332 -4.154 1.00 71.11 H new ATOM 0 HD21 LEU A 7 -19.029 -5.304 -3.715 1.00 42.42 H new ATOM 0 HD22 LEU A 7 -18.251 -4.132 -2.625 1.00 42.42 H new ATOM 0 HD23 LEU A 7 -19.784 -3.718 -3.427 1.00 42.42 H new ATOM 102 N GLY A 8 -16.480 0.522 -3.415 1.00 15.52 N ATOM 103 CA GLY A 8 -15.606 1.673 -3.577 1.00 31.43 C ATOM 104 C GLY A 8 -14.723 1.869 -2.343 1.00 22.20 C ATOM 105 O GLY A 8 -13.763 2.637 -2.379 1.00 60.53 O ATOM 0 H GLY A 8 -17.470 0.748 -3.323 1.00 15.52 H new ATOM 0 HA2 GLY A 8 -14.980 1.537 -4.459 1.00 31.43 H new ATOM 0 HA3 GLY A 8 -16.205 2.568 -3.746 1.00 31.43 H new ATOM 109 N PHE A 9 -15.080 1.161 -1.282 1.00 51.32 N ATOM 110 CA PHE A 9 -14.332 1.247 -0.038 1.00 11.44 C ATOM 111 C PHE A 9 -13.044 0.426 -0.115 1.00 34.42 C ATOM 112 O PHE A 9 -12.027 0.802 0.466 1.00 25.44 O ATOM 113 CB PHE A 9 -15.226 0.672 1.062 1.00 1.00 C ATOM 114 CG PHE A 9 -15.179 1.457 2.375 1.00 1.53 C ATOM 115 CD1 PHE A 9 -14.190 1.218 3.275 1.00 55.15 C ATOM 116 CD2 PHE A 9 -16.129 2.394 2.640 1.00 53.34 C ATOM 117 CE1 PHE A 9 -14.147 1.946 4.494 1.00 55.22 C ATOM 118 CE2 PHE A 9 -16.086 3.122 3.859 1.00 53.42 C ATOM 119 CZ PHE A 9 -15.095 2.883 4.760 1.00 2.10 C ATOM 0 H PHE A 9 -15.877 0.525 -1.257 1.00 51.32 H new ATOM 0 HA PHE A 9 -14.058 2.283 0.161 1.00 11.44 H new ATOM 0 HB2 PHE A 9 -16.255 0.645 0.703 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -14.929 -0.359 1.256 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -13.436 0.474 3.064 1.00 55.15 H new ATOM 0 HD2 PHE A 9 -16.915 2.584 1.924 1.00 53.34 H new ATOM 0 HE1 PHE A 9 -13.361 1.755 5.210 1.00 55.22 H new ATOM 0 HE2 PHE A 9 -16.840 3.865 4.071 1.00 53.42 H new ATOM 0 HZ PHE A 9 -15.062 3.438 5.686 1.00 2.10 H new ATOM 129 N LEU A 10 -13.130 -0.682 -0.837 1.00 73.52 N ATOM 130 CA LEU A 10 -11.983 -1.561 -0.998 1.00 60.40 C ATOM 131 C LEU A 10 -10.857 -0.801 -1.700 1.00 53.35 C ATOM 132 O LEU A 10 -9.694 -1.194 -1.620 1.00 4.12 O ATOM 133 CB LEU A 10 -12.393 -2.851 -1.712 1.00 54.23 C ATOM 134 CG LEU A 10 -13.485 -3.678 -1.031 1.00 60.31 C ATOM 135 CD1 LEU A 10 -13.679 -5.019 -1.739 1.00 35.23 C ATOM 136 CD2 LEU A 10 -13.189 -3.855 0.460 1.00 41.03 C ATOM 0 H LEU A 10 -13.975 -0.991 -1.317 1.00 73.52 H new ATOM 0 HA LEU A 10 -11.600 -1.870 -0.025 1.00 60.40 H new ATOM 0 HB2 LEU A 10 -12.732 -2.595 -2.716 1.00 54.23 H new ATOM 0 HB3 LEU A 10 -11.508 -3.477 -1.825 1.00 54.23 H new ATOM 0 HG LEU A 10 -14.426 -3.133 -1.111 1.00 60.31 H new ATOM 0 HD11 LEU A 10 -14.461 -5.587 -1.235 1.00 35.23 H new ATOM 0 HD12 LEU A 10 -13.968 -4.845 -2.775 1.00 35.23 H new ATOM 0 HD13 LEU A 10 -12.746 -5.583 -1.712 1.00 35.23 H new ATOM 0 HD21 LEU A 10 -13.980 -4.446 0.920 1.00 41.03 H new ATOM 0 HD22 LEU A 10 -12.235 -4.367 0.583 1.00 41.03 H new ATOM 0 HD23 LEU A 10 -13.141 -2.878 0.940 1.00 41.03 H new ATOM 148 N GLY A 11 -11.241 0.276 -2.370 1.00 22.13 N ATOM 149 CA GLY A 11 -10.278 1.095 -3.086 1.00 70.32 C ATOM 150 C GLY A 11 -9.270 1.724 -2.121 1.00 52.11 C ATOM 151 O GLY A 11 -8.108 1.918 -2.471 1.00 14.14 O ATOM 0 H GLY A 11 -12.206 0.600 -2.432 1.00 22.13 H new ATOM 0 HA2 GLY A 11 -9.752 0.486 -3.821 1.00 70.32 H new ATOM 0 HA3 GLY A 11 -10.799 1.879 -3.636 1.00 70.32 H new ATOM 155 N ALA A 12 -9.754 2.026 -0.925 1.00 12.51 N ATOM 156 CA ALA A 12 -8.909 2.630 0.093 1.00 21.23 C ATOM 157 C ALA A 12 -8.185 1.528 0.868 1.00 20.21 C ATOM 158 O ALA A 12 -7.281 1.807 1.653 1.00 63.05 O ATOM 159 CB ALA A 12 -9.762 3.518 1.002 1.00 13.42 C ATOM 0 H ALA A 12 -10.719 1.864 -0.638 1.00 12.51 H new ATOM 0 HA ALA A 12 -8.150 3.264 -0.364 1.00 21.23 H new ATOM 0 HB1 ALA A 12 -9.130 3.971 1.765 1.00 13.42 H new ATOM 0 HB2 ALA A 12 -10.232 4.302 0.408 1.00 13.42 H new ATOM 0 HB3 ALA A 12 -10.533 2.914 1.481 1.00 13.42 H new ATOM 165 N ALA A 13 -8.610 0.297 0.621 1.00 30.43 N ATOM 166 CA ALA A 13 -8.013 -0.849 1.286 1.00 22.41 C ATOM 167 C ALA A 13 -6.661 -1.160 0.641 1.00 61.32 C ATOM 168 O ALA A 13 -5.914 -2.003 1.135 1.00 11.25 O ATOM 169 CB ALA A 13 -8.977 -2.035 1.221 1.00 73.12 C ATOM 0 H ALA A 13 -9.361 0.068 -0.031 1.00 30.43 H new ATOM 0 HA ALA A 13 -7.833 -0.632 2.339 1.00 22.41 H new ATOM 0 HB1 ALA A 13 -8.530 -2.895 1.720 1.00 73.12 H new ATOM 0 HB2 ALA A 13 -9.911 -1.772 1.718 1.00 73.12 H new ATOM 0 HB3 ALA A 13 -9.178 -2.284 0.179 1.00 73.12 H new ATOM 175 N GLY A 14 -6.388 -0.462 -0.452 1.00 73.34 N ATOM 176 CA GLY A 14 -5.138 -0.653 -1.168 1.00 22.51 C ATOM 177 C GLY A 14 -4.091 0.370 -0.727 1.00 4.32 C ATOM 178 O GLY A 14 -3.083 0.564 -1.404 1.00 73.12 O ATOM 0 H GLY A 14 -7.011 0.236 -0.859 1.00 73.34 H new ATOM 0 HA2 GLY A 14 -4.764 -1.661 -0.990 1.00 22.51 H new ATOM 0 HA3 GLY A 14 -5.312 -0.562 -2.240 1.00 22.51 H new ATOM 182 N SER A 15 -4.366 1.000 0.406 1.00 43.12 N ATOM 183 CA SER A 15 -3.460 2.000 0.946 1.00 4.45 C ATOM 184 C SER A 15 -2.626 1.394 2.077 1.00 2.35 C ATOM 185 O SER A 15 -1.983 2.119 2.835 1.00 32.12 O ATOM 186 CB SER A 15 -4.227 3.224 1.449 1.00 71.04 C ATOM 187 OG SER A 15 -3.357 4.210 2.000 1.00 62.33 O ATOM 0 H SER A 15 -5.204 0.837 0.965 1.00 43.12 H new ATOM 0 HA SER A 15 -2.794 2.326 0.147 1.00 4.45 H new ATOM 0 HB2 SER A 15 -4.794 3.660 0.626 1.00 71.04 H new ATOM 0 HB3 SER A 15 -4.949 2.914 2.205 1.00 71.04 H new ATOM 0 HG SER A 15 -2.613 3.769 2.460 1.00 62.33 H new ATOM 193 N LYS A 16 -2.664 0.072 2.154 1.00 1.03 N ATOM 194 CA LYS A 16 -1.920 -0.639 3.179 1.00 55.01 C ATOM 195 C LYS A 16 -0.423 -0.524 2.888 1.00 74.14 C ATOM 196 O LYS A 16 0.389 -0.445 3.810 1.00 65.32 O ATOM 197 CB LYS A 16 -2.415 -2.082 3.296 1.00 74.52 C ATOM 198 CG LYS A 16 -3.902 -2.125 3.654 1.00 54.43 C ATOM 199 CD LYS A 16 -4.098 -2.267 5.166 1.00 2.25 C ATOM 200 CE LYS A 16 -4.396 -3.718 5.545 1.00 71.32 C ATOM 201 NZ LYS A 16 -5.851 -3.982 5.485 1.00 71.42 N ATOM 0 H LYS A 16 -3.199 -0.525 1.523 1.00 1.03 H new ATOM 0 HA LYS A 16 -2.091 -0.188 4.156 1.00 55.01 H new ATOM 0 HB2 LYS A 16 -2.249 -2.605 2.354 1.00 74.52 H new ATOM 0 HB3 LYS A 16 -1.839 -2.607 4.058 1.00 74.52 H new ATOM 0 HG2 LYS A 16 -4.390 -1.216 3.304 1.00 54.43 H new ATOM 0 HG3 LYS A 16 -4.379 -2.960 3.142 1.00 54.43 H new ATOM 0 HD2 LYS A 16 -3.202 -1.928 5.686 1.00 2.25 H new ATOM 0 HD3 LYS A 16 -4.917 -1.626 5.492 1.00 2.25 H new ATOM 0 HE2 LYS A 16 -3.870 -4.392 4.869 1.00 71.32 H new ATOM 0 HE3 LYS A 16 -4.025 -3.921 6.550 1.00 71.32 H new ATOM 0 HZ1 LYS A 16 -6.035 -4.972 5.745 1.00 71.42 H new ATOM 0 HZ2 LYS A 16 -6.346 -3.352 6.148 1.00 71.42 H new ATOM 0 HZ3 LYS A 16 -6.196 -3.808 4.519 1.00 71.42 H new ATOM 214 N LYS A 17 -0.100 -0.519 1.603 1.00 72.20 N ATOM 215 CA LYS A 17 1.287 -0.416 1.180 1.00 25.24 C ATOM 216 C LYS A 17 1.895 0.866 1.751 1.00 73.31 C ATOM 217 O LYS A 17 1.213 1.632 2.430 1.00 12.44 O ATOM 218 CB LYS A 17 1.390 -0.520 -0.343 1.00 20.12 C ATOM 219 CG LYS A 17 1.746 -1.945 -0.772 1.00 0.40 C ATOM 220 CD LYS A 17 1.805 -2.060 -2.297 1.00 53.34 C ATOM 221 CE LYS A 17 0.863 -3.154 -2.801 1.00 24.15 C ATOM 222 NZ LYS A 17 1.537 -4.471 -2.777 1.00 23.41 N ATOM 0 H LYS A 17 -0.775 -0.585 0.841 1.00 72.20 H new ATOM 0 HA LYS A 17 1.870 -1.249 1.574 1.00 25.24 H new ATOM 0 HB2 LYS A 17 0.443 -0.226 -0.796 1.00 20.12 H new ATOM 0 HB3 LYS A 17 2.147 0.174 -0.708 1.00 20.12 H new ATOM 0 HG2 LYS A 17 2.708 -2.227 -0.345 1.00 0.40 H new ATOM 0 HG3 LYS A 17 1.006 -2.642 -0.379 1.00 0.40 H new ATOM 0 HD2 LYS A 17 1.534 -1.105 -2.748 1.00 53.34 H new ATOM 0 HD3 LYS A 17 2.826 -2.282 -2.609 1.00 53.34 H new ATOM 0 HE2 LYS A 17 -0.032 -3.186 -2.180 1.00 24.15 H new ATOM 0 HE3 LYS A 17 0.539 -2.923 -3.816 1.00 24.15 H new ATOM 0 HZ1 LYS A 17 0.883 -5.202 -3.122 1.00 23.41 H new ATOM 0 HZ2 LYS A 17 2.378 -4.442 -3.388 1.00 23.41 H new ATOM 0 HZ3 LYS A 17 1.825 -4.696 -1.803 1.00 23.41 H new HETATM 235 C1 ACA A 18 8.277 4.439 -0.011 1.00 14.04 C HETATM 236 O1 ACA A 18 8.954 3.575 0.544 1.00 12.33 O HETATM 237 C2 ACA A 18 6.925 4.149 0.517 1.00 55.11 C HETATM 238 C3 ACA A 18 6.533 2.700 0.220 1.00 15.43 C HETATM 239 C4 ACA A 18 5.082 2.611 -0.253 1.00 23.11 C HETATM 240 C5 ACA A 18 4.129 3.213 0.782 1.00 43.01 C HETATM 241 C6 ACA A 18 3.881 2.235 1.932 1.00 22.44 C HETATM 242 N6 ACA A 18 3.172 1.059 1.456 1.00 52.21 N HETATM 0 H62 ACA A 18 4.831 1.939 2.377 1.00 22.44 H new HETATM 0 H61 ACA A 18 3.301 2.724 2.715 1.00 22.44 H new HETATM 0 H52 ACA A 18 4.549 4.140 1.172 1.00 43.01 H new HETATM 0 H51 ACA A 18 3.182 3.467 0.305 1.00 43.01 H new HETATM 0 H42 ACA A 18 4.972 3.136 -1.202 1.00 23.11 H new HETATM 0 H41 ACA A 18 4.818 1.569 -0.433 1.00 23.11 H new HETATM 0 H32 ACA A 18 7.194 2.290 -0.544 1.00 15.43 H new HETATM 0 H31 ACA A 18 6.665 2.093 1.116 1.00 15.43 H new HETATM 0 H22 ACA A 18 6.903 4.325 1.593 1.00 55.11 H new HETATM 0 H21 ACA A 18 6.200 4.827 0.068 1.00 55.11 H new ATOM 254 N LYS A 19 8.263 4.656 -1.319 1.00 22.41 N ATOM 255 CA LYS A 19 9.078 3.858 -2.219 1.00 21.32 C ATOM 256 C LYS A 19 10.411 4.567 -2.458 1.00 15.43 C ATOM 257 O LYS A 19 11.474 4.001 -2.207 1.00 41.12 O ATOM 258 CB LYS A 19 8.307 3.546 -3.504 1.00 31.33 C ATOM 259 CG LYS A 19 7.821 2.095 -3.513 1.00 21.22 C ATOM 260 CD LYS A 19 6.516 1.960 -4.299 1.00 23.34 C ATOM 261 CE LYS A 19 6.717 2.337 -5.768 1.00 53.04 C ATOM 262 NZ LYS A 19 7.706 1.436 -6.402 1.00 4.45 N ATOM 0 HA LYS A 19 9.308 2.892 -1.770 1.00 21.32 H new ATOM 0 HB2 LYS A 19 7.455 4.219 -3.594 1.00 31.33 H new ATOM 0 HB3 LYS A 19 8.946 3.725 -4.369 1.00 31.33 H new ATOM 0 HG2 LYS A 19 8.584 1.455 -3.955 1.00 21.22 H new ATOM 0 HG3 LYS A 19 7.671 1.752 -2.490 1.00 21.22 H new ATOM 0 HD2 LYS A 19 6.150 0.935 -4.230 1.00 23.34 H new ATOM 0 HD3 LYS A 19 5.753 2.601 -3.857 1.00 23.34 H new ATOM 0 HE2 LYS A 19 5.767 2.276 -6.299 1.00 53.04 H new ATOM 0 HE3 LYS A 19 7.057 3.370 -5.842 1.00 53.04 H new ATOM 0 HZ1 LYS A 19 7.625 1.505 -7.437 1.00 4.45 H new ATOM 0 HZ2 LYS A 19 8.665 1.713 -6.111 1.00 4.45 H new ATOM 0 HZ3 LYS A 19 7.524 0.456 -6.105 1.00 4.45 H new ATOM 275 N ASN A 20 10.313 5.797 -2.942 1.00 25.20 N ATOM 276 CA ASN A 20 11.497 6.591 -3.218 1.00 74.33 C ATOM 277 C ASN A 20 11.627 7.691 -2.162 1.00 33.43 C ATOM 278 O ASN A 20 10.625 8.181 -1.645 1.00 10.44 O ATOM 279 CB ASN A 20 11.404 7.261 -4.590 1.00 30.23 C ATOM 280 CG ASN A 20 12.586 6.863 -5.476 1.00 32.44 C ATOM 281 OD1 ASN A 20 12.960 5.706 -5.575 1.00 21.52 O ATOM 282 ND2 ASN A 20 13.152 7.884 -6.114 1.00 10.15 N ATOM 0 H ASN A 20 9.430 6.263 -3.150 1.00 25.20 H new ATOM 0 HA ASN A 20 12.360 5.926 -3.200 1.00 74.33 H new ATOM 0 HB2 ASN A 20 10.470 6.977 -5.075 1.00 30.23 H new ATOM 0 HB3 ASN A 20 11.384 8.344 -4.469 1.00 30.23 H new ATOM 0 HD21 ASN A 20 13.948 7.722 -6.730 1.00 10.15 H new ATOM 0 HD22 ASN A 20 12.789 8.829 -5.987 1.00 10.15 H new ATOM 289 N GLU A 21 12.871 8.045 -1.872 1.00 14.55 N ATOM 290 CA GLU A 21 13.145 9.077 -0.888 1.00 43.41 C ATOM 291 C GLU A 21 12.551 10.413 -1.340 1.00 1.41 C ATOM 292 O GLU A 21 12.447 11.349 -0.549 1.00 61.21 O ATOM 293 CB GLU A 21 14.648 9.205 -0.631 1.00 50.15 C ATOM 294 CG GLU A 21 15.118 10.647 -0.830 1.00 3.25 C ATOM 295 CD GLU A 21 16.634 10.759 -0.653 1.00 2.35 C ATOM 296 OE1 GLU A 21 17.127 11.793 -0.178 1.00 30.15 O ATOM 297 OE2 GLU A 21 17.304 9.723 -1.028 1.00 11.14 O ATOM 0 H GLU A 21 13.700 7.635 -2.302 1.00 14.55 H new ATOM 0 HA GLU A 21 12.672 8.790 0.051 1.00 43.41 H new ATOM 0 HB2 GLU A 21 14.876 8.882 0.385 1.00 50.15 H new ATOM 0 HB3 GLU A 21 15.193 8.545 -1.305 1.00 50.15 H new ATOM 0 HG2 GLU A 21 14.838 10.990 -1.826 1.00 3.25 H new ATOM 0 HG3 GLU A 21 14.616 11.299 -0.115 1.00 3.25 H new ATOM 305 N GLN A 22 12.177 10.458 -2.610 1.00 51.32 N ATOM 306 CA GLN A 22 11.596 11.664 -3.177 1.00 31.31 C ATOM 307 C GLN A 22 10.364 12.087 -2.374 1.00 0.11 C ATOM 308 O GLN A 22 10.033 13.270 -2.315 1.00 53.23 O ATOM 309 CB GLN A 22 11.247 11.463 -4.653 1.00 25.02 C ATOM 310 CG GLN A 22 10.062 10.508 -4.810 1.00 11.05 C ATOM 311 CD GLN A 22 8.784 11.272 -5.163 1.00 40.45 C ATOM 312 OE1 GLN A 22 8.671 11.896 -6.206 1.00 63.31 O ATOM 313 NE2 GLN A 22 7.833 11.191 -4.238 1.00 63.30 N ATOM 0 H GLN A 22 12.265 9.679 -3.263 1.00 51.32 H new ATOM 0 HA GLN A 22 12.335 12.463 -3.119 1.00 31.31 H new ATOM 0 HB2 GLN A 22 11.007 12.424 -5.108 1.00 25.02 H new ATOM 0 HB3 GLN A 22 12.112 11.066 -5.184 1.00 25.02 H new ATOM 0 HG2 GLN A 22 10.280 9.778 -5.589 1.00 11.05 H new ATOM 0 HG3 GLN A 22 9.913 9.952 -3.884 1.00 11.05 H new ATOM 0 HE21 GLN A 22 7.993 10.651 -3.387 1.00 63.30 H new ATOM 0 HE22 GLN A 22 6.943 11.668 -4.379 1.00 63.30 H new ATOM 322 N GLU A 23 9.718 11.097 -1.776 1.00 22.25 N ATOM 323 CA GLU A 23 8.529 11.351 -0.981 1.00 61.22 C ATOM 324 C GLU A 23 8.892 12.145 0.276 1.00 72.21 C ATOM 325 O GLU A 23 8.052 12.849 0.835 1.00 15.13 O ATOM 326 CB GLU A 23 7.821 10.045 -0.618 1.00 72.43 C ATOM 327 CG GLU A 23 6.438 10.316 -0.024 1.00 61.04 C ATOM 328 CD GLU A 23 6.047 9.227 0.977 1.00 21.24 C ATOM 329 OE1 GLU A 23 6.695 8.171 1.027 1.00 62.11 O ATOM 330 OE2 GLU A 23 5.031 9.509 1.720 1.00 62.31 O ATOM 0 H GLU A 23 9.996 10.117 -1.826 1.00 22.25 H new ATOM 0 HA GLU A 23 7.838 11.946 -1.578 1.00 61.22 H new ATOM 0 HB2 GLU A 23 7.723 9.422 -1.507 1.00 72.43 H new ATOM 0 HB3 GLU A 23 8.425 9.487 0.098 1.00 72.43 H new ATOM 0 HG2 GLU A 23 6.435 11.287 0.471 1.00 61.04 H new ATOM 0 HG3 GLU A 23 5.698 10.363 -0.823 1.00 61.04 H new ATOM 338 N LEU A 24 10.145 12.004 0.685 1.00 40.21 N ATOM 339 CA LEU A 24 10.630 12.699 1.866 1.00 34.25 C ATOM 340 C LEU A 24 10.198 14.166 1.803 1.00 33.44 C ATOM 341 O LEU A 24 9.685 14.708 2.779 1.00 63.45 O ATOM 342 CB LEU A 24 12.140 12.508 2.017 1.00 4.30 C ATOM 343 CG LEU A 24 12.608 11.090 2.349 1.00 10.04 C ATOM 344 CD1 LEU A 24 13.697 11.108 3.422 1.00 61.23 C ATOM 345 CD2 LEU A 24 11.427 10.201 2.745 1.00 4.11 C ATOM 0 H LEU A 24 10.839 11.419 0.220 1.00 40.21 H new ATOM 0 HA LEU A 24 10.187 12.275 2.767 1.00 34.25 H new ATOM 0 HB2 LEU A 24 12.620 12.819 1.089 1.00 4.30 H new ATOM 0 HB3 LEU A 24 12.494 13.179 2.800 1.00 4.30 H new ATOM 0 HG LEU A 24 13.049 10.658 1.451 1.00 10.04 H new ATOM 0 HD11 LEU A 24 14.011 10.087 3.639 1.00 61.23 H new ATOM 0 HD12 LEU A 24 14.551 11.682 3.064 1.00 61.23 H new ATOM 0 HD13 LEU A 24 13.306 11.568 4.330 1.00 61.23 H new ATOM 0 HD21 LEU A 24 11.788 9.199 2.976 1.00 4.11 H new ATOM 0 HD22 LEU A 24 10.934 10.620 3.622 1.00 4.11 H new ATOM 0 HD23 LEU A 24 10.717 10.150 1.919 1.00 4.11 H new ATOM 357 N LEU A 25 10.422 14.765 0.642 1.00 42.53 N ATOM 358 CA LEU A 25 10.063 16.158 0.439 1.00 3.25 C ATOM 359 C LEU A 25 8.546 16.312 0.566 1.00 1.55 C ATOM 360 O LEU A 25 8.059 17.357 0.995 1.00 3.01 O ATOM 361 CB LEU A 25 10.623 16.668 -0.890 1.00 75.02 C ATOM 362 CG LEU A 25 12.122 16.453 -1.112 1.00 54.22 C ATOM 363 CD1 LEU A 25 12.374 15.519 -2.297 1.00 21.31 C ATOM 364 CD2 LEU A 25 12.850 17.790 -1.271 1.00 73.21 C ATOM 0 H LEU A 25 10.847 14.311 -0.167 1.00 42.53 H new ATOM 0 HA LEU A 25 10.514 16.784 1.209 1.00 3.25 H new ATOM 0 HB2 LEU A 25 10.082 16.180 -1.701 1.00 75.02 H new ATOM 0 HB3 LEU A 25 10.414 17.735 -0.964 1.00 75.02 H new ATOM 0 HG LEU A 25 12.531 15.966 -0.227 1.00 54.22 H new ATOM 0 HD11 LEU A 25 13.447 15.384 -2.432 1.00 21.31 H new ATOM 0 HD12 LEU A 25 11.908 14.553 -2.104 1.00 21.31 H new ATOM 0 HD13 LEU A 25 11.947 15.954 -3.200 1.00 21.31 H new ATOM 0 HD21 LEU A 25 13.913 17.609 -1.427 1.00 73.21 H new ATOM 0 HD22 LEU A 25 12.443 18.326 -2.128 1.00 73.21 H new ATOM 0 HD23 LEU A 25 12.713 18.388 -0.370 1.00 73.21 H new ATOM 376 N GLU A 26 7.841 15.257 0.184 1.00 53.40 N ATOM 377 CA GLU A 26 6.390 15.263 0.250 1.00 50.02 C ATOM 378 C GLU A 26 5.923 15.027 1.687 1.00 41.35 C ATOM 379 O GLU A 26 4.817 15.418 2.057 1.00 11.00 O ATOM 380 CB GLU A 26 5.795 14.220 -0.698 1.00 61.31 C ATOM 381 CG GLU A 26 4.692 14.832 -1.563 1.00 25.24 C ATOM 382 CD GLU A 26 3.468 13.915 -1.620 1.00 2.34 C ATOM 383 OE1 GLU A 26 3.615 12.684 -1.627 1.00 62.34 O ATOM 384 OE2 GLU A 26 2.331 14.525 -1.658 1.00 62.34 O ATOM 0 H GLU A 26 8.248 14.392 -0.172 1.00 53.40 H new ATOM 0 HA GLU A 26 6.035 16.243 -0.070 1.00 50.02 H new ATOM 0 HB2 GLU A 26 6.580 13.814 -1.336 1.00 61.31 H new ATOM 0 HB3 GLU A 26 5.391 13.388 -0.122 1.00 61.31 H new ATOM 0 HG2 GLU A 26 4.405 15.803 -1.159 1.00 25.24 H new ATOM 0 HG3 GLU A 26 5.069 15.005 -2.571 1.00 25.24 H new ATOM 392 N LEU A 27 6.790 14.389 2.461 1.00 64.01 N ATOM 393 CA LEU A 27 6.480 14.097 3.850 1.00 5.01 C ATOM 394 C LEU A 27 6.150 15.400 4.579 1.00 42.45 C ATOM 395 O LEU A 27 5.132 15.493 5.264 1.00 72.31 O ATOM 396 CB LEU A 27 7.615 13.301 4.497 1.00 13.51 C ATOM 397 CG LEU A 27 7.191 12.140 5.398 1.00 41.12 C ATOM 398 CD1 LEU A 27 6.427 12.648 6.623 1.00 4.52 C ATOM 399 CD2 LEU A 27 6.390 11.100 4.614 1.00 11.12 C ATOM 0 H LEU A 27 7.707 14.066 2.152 1.00 64.01 H new ATOM 0 HA LEU A 27 5.597 13.461 3.917 1.00 5.01 H new ATOM 0 HB2 LEU A 27 8.253 12.907 3.706 1.00 13.51 H new ATOM 0 HB3 LEU A 27 8.224 13.987 5.085 1.00 13.51 H new ATOM 0 HG LEU A 27 8.091 11.644 5.762 1.00 41.12 H new ATOM 0 HD11 LEU A 27 6.137 11.803 7.247 1.00 4.52 H new ATOM 0 HD12 LEU A 27 7.065 13.321 7.196 1.00 4.52 H new ATOM 0 HD13 LEU A 27 5.534 13.183 6.299 1.00 4.52 H new ATOM 0 HD21 LEU A 27 6.102 10.286 5.279 1.00 11.12 H new ATOM 0 HD22 LEU A 27 5.495 11.566 4.201 1.00 11.12 H new ATOM 0 HD23 LEU A 27 7.002 10.706 3.802 1.00 11.12 H new ATOM 411 N ASP A 28 7.030 16.376 4.408 1.00 42.24 N ATOM 412 CA ASP A 28 6.845 17.671 5.041 1.00 71.12 C ATOM 413 C ASP A 28 5.811 18.477 4.253 1.00 5.02 C ATOM 414 O ASP A 28 5.069 19.271 4.828 1.00 43.54 O ATOM 415 CB ASP A 28 8.152 18.467 5.059 1.00 45.12 C ATOM 416 CG ASP A 28 7.987 19.975 5.259 1.00 13.43 C ATOM 417 OD1 ASP A 28 6.997 20.438 5.844 1.00 25.23 O ATOM 418 OD2 ASP A 28 8.942 20.697 4.776 1.00 73.35 O ATOM 0 H ASP A 28 7.873 16.296 3.840 1.00 42.24 H new ATOM 0 HA ASP A 28 6.512 17.501 6.065 1.00 71.12 H new ATOM 0 HB2 ASP A 28 8.786 18.077 5.855 1.00 45.12 H new ATOM 0 HB3 ASP A 28 8.678 18.295 4.120 1.00 45.12 H new ATOM 424 N LYS A 29 5.795 18.243 2.949 1.00 44.31 N ATOM 425 CA LYS A 29 4.863 18.938 2.076 1.00 60.24 C ATOM 426 C LYS A 29 3.434 18.693 2.564 1.00 74.42 C ATOM 427 O LYS A 29 2.627 19.619 2.623 1.00 62.13 O ATOM 428 CB LYS A 29 5.092 18.534 0.619 1.00 73.11 C ATOM 429 CG LYS A 29 4.478 19.558 -0.337 1.00 5.13 C ATOM 430 CD LYS A 29 3.162 19.041 -0.923 1.00 30.43 C ATOM 431 CE LYS A 29 2.870 19.693 -2.275 1.00 14.13 C ATOM 432 NZ LYS A 29 1.514 19.328 -2.745 1.00 52.53 N ATOM 0 H LYS A 29 6.412 17.583 2.476 1.00 44.31 H new ATOM 0 HA LYS A 29 5.034 20.014 2.116 1.00 60.24 H new ATOM 0 HB2 LYS A 29 6.161 18.446 0.426 1.00 73.11 H new ATOM 0 HB3 LYS A 29 4.654 17.553 0.437 1.00 73.11 H new ATOM 0 HG2 LYS A 29 4.302 20.495 0.192 1.00 5.13 H new ATOM 0 HG3 LYS A 29 5.179 19.774 -1.143 1.00 5.13 H new ATOM 0 HD2 LYS A 29 3.213 17.959 -1.041 1.00 30.43 H new ATOM 0 HD3 LYS A 29 2.346 19.249 -0.231 1.00 30.43 H new ATOM 0 HE2 LYS A 29 2.952 20.776 -2.188 1.00 14.13 H new ATOM 0 HE3 LYS A 29 3.613 19.375 -3.007 1.00 14.13 H new ATOM 0 HZ1 LYS A 29 1.332 19.779 -3.664 1.00 52.53 H new ATOM 0 HZ2 LYS A 29 1.448 18.295 -2.847 1.00 52.53 H new ATOM 0 HZ3 LYS A 29 0.808 19.653 -2.054 1.00 52.53 H new ATOM 445 N TRP A 30 3.165 17.440 2.903 1.00 3.44 N ATOM 446 CA TRP A 30 1.847 17.062 3.384 1.00 63.44 C ATOM 447 C TRP A 30 1.757 17.442 4.864 1.00 72.43 C ATOM 448 O TRP A 30 0.792 18.075 5.289 1.00 71.43 O ATOM 449 CB TRP A 30 1.575 15.578 3.130 1.00 71.14 C ATOM 450 CG TRP A 30 2.235 14.642 4.144 1.00 73.14 C ATOM 451 CD1 TRP A 30 3.275 13.819 3.952 1.00 23.24 C ATOM 452 CD2 TRP A 30 1.855 14.466 5.525 1.00 34.11 C ATOM 453 NE1 TRP A 30 3.592 13.127 5.102 1.00 64.44 N ATOM 454 CE2 TRP A 30 2.702 13.533 6.091 1.00 20.13 C ATOM 455 CE3 TRP A 30 0.831 15.074 6.272 1.00 74.35 C ATOM 456 CZ2 TRP A 30 2.610 13.126 7.427 1.00 32.50 C ATOM 457 CZ3 TRP A 30 0.753 14.656 7.606 1.00 31.03 C ATOM 458 CH2 TRP A 30 1.597 13.718 8.190 1.00 41.22 C ATOM 0 H TRP A 30 3.837 16.674 2.854 1.00 3.44 H new ATOM 0 HA TRP A 30 1.069 17.597 2.839 1.00 63.44 H new ATOM 0 HB2 TRP A 30 0.498 15.409 3.142 1.00 71.14 H new ATOM 0 HB3 TRP A 30 1.927 15.321 2.131 1.00 71.14 H new ATOM 0 HD1 TRP A 30 3.799 13.711 3.014 1.00 23.24 H new ATOM 0 HE1 TRP A 30 4.341 12.443 5.208 1.00 64.44 H new ATOM 0 HE3 TRP A 30 0.158 15.806 5.850 1.00 74.35 H new ATOM 0 HZ2 TRP A 30 3.285 12.394 7.847 1.00 32.50 H new ATOM 0 HZ3 TRP A 30 -0.017 15.093 8.225 1.00 31.03 H new ATOM 0 HH2 TRP A 30 1.471 13.447 9.228 1.00 41.22 H new ATOM 469 N ALA A 31 2.776 17.038 5.608 1.00 71.12 N ATOM 470 CA ALA A 31 2.825 17.327 7.031 1.00 44.03 C ATOM 471 C ALA A 31 2.698 18.837 7.244 1.00 64.44 C ATOM 472 O ALA A 31 2.360 19.287 8.338 1.00 71.24 O ATOM 473 CB ALA A 31 4.117 16.761 7.623 1.00 52.55 C ATOM 0 H ALA A 31 3.574 16.513 5.252 1.00 71.12 H new ATOM 0 HA ALA A 31 1.993 16.849 7.549 1.00 44.03 H new ATOM 0 HB1 ALA A 31 4.154 16.978 8.691 1.00 52.55 H new ATOM 0 HB2 ALA A 31 4.145 15.682 7.471 1.00 52.55 H new ATOM 0 HB3 ALA A 31 4.974 17.219 7.130 1.00 52.55 H new ATOM 479 N SER A 32 2.974 19.578 6.182 1.00 13.51 N ATOM 480 CA SER A 32 2.896 21.028 6.240 1.00 4.23 C ATOM 481 C SER A 32 1.494 21.459 6.678 1.00 23.34 C ATOM 482 O SER A 32 1.331 22.497 7.317 1.00 41.21 O ATOM 483 CB SER A 32 3.244 21.652 4.887 1.00 45.34 C ATOM 484 OG SER A 32 4.122 22.766 5.023 1.00 61.24 O ATOM 0 H SER A 32 3.252 19.202 5.276 1.00 13.51 H new ATOM 0 HA SER A 32 3.623 21.381 6.971 1.00 4.23 H new ATOM 0 HB2 SER A 32 3.709 20.900 4.250 1.00 45.34 H new ATOM 0 HB3 SER A 32 2.329 21.971 4.388 1.00 45.34 H new ATOM 0 HG SER A 32 4.322 23.135 4.137 1.00 61.24 H new ATOM 490 N LEU A 33 0.518 20.638 6.317 1.00 41.34 N ATOM 491 CA LEU A 33 -0.864 20.921 6.665 1.00 10.11 C ATOM 492 C LEU A 33 -0.945 21.307 8.143 1.00 50.41 C ATOM 493 O LEU A 33 -1.843 22.044 8.549 1.00 21.23 O ATOM 494 CB LEU A 33 -1.763 19.742 6.288 1.00 62.01 C ATOM 495 CG LEU A 33 -2.155 18.805 7.432 1.00 63.20 C ATOM 496 CD1 LEU A 33 -3.358 17.941 7.046 1.00 13.44 C ATOM 497 CD2 LEU A 33 -0.962 17.959 7.881 1.00 20.30 C ATOM 0 H LEU A 33 0.657 19.777 5.787 1.00 41.34 H new ATOM 0 HA LEU A 33 -1.234 21.771 6.092 1.00 10.11 H new ATOM 0 HB2 LEU A 33 -2.675 20.135 5.838 1.00 62.01 H new ATOM 0 HB3 LEU A 33 -1.257 19.155 5.521 1.00 62.01 H new ATOM 0 HG LEU A 33 -2.457 19.414 8.284 1.00 63.20 H new ATOM 0 HD11 LEU A 33 -3.616 17.284 7.877 1.00 13.44 H new ATOM 0 HD12 LEU A 33 -4.208 18.583 6.814 1.00 13.44 H new ATOM 0 HD13 LEU A 33 -3.108 17.339 6.172 1.00 13.44 H new ATOM 0 HD21 LEU A 33 -1.268 17.302 8.695 1.00 20.30 H new ATOM 0 HD22 LEU A 33 -0.606 17.358 7.044 1.00 20.30 H new ATOM 0 HD23 LEU A 33 -0.161 18.613 8.224 1.00 20.30 H new ATOM 509 N TRP A 34 0.007 20.794 8.908 1.00 63.34 N ATOM 510 CA TRP A 34 0.056 21.076 10.333 1.00 24.10 C ATOM 511 C TRP A 34 0.448 22.544 10.511 1.00 72.14 C ATOM 512 O TRP A 34 -0.303 23.325 11.092 1.00 2.34 O ATOM 513 CB TRP A 34 1.002 20.113 11.052 1.00 21.32 C ATOM 514 CG TRP A 34 0.528 18.657 11.051 1.00 44.42 C ATOM 515 CD1 TRP A 34 1.162 17.583 10.563 1.00 44.43 C ATOM 516 CD2 TRP A 34 -0.717 18.159 11.585 1.00 40.44 C ATOM 517 NE1 TRP A 34 0.422 16.433 10.744 1.00 24.13 N ATOM 518 CE2 TRP A 34 -0.758 16.795 11.385 1.00 2.03 C ATOM 519 CE3 TRP A 34 -1.773 18.839 12.217 1.00 10.44 C ATOM 520 CZ2 TRP A 34 -1.833 15.993 11.787 1.00 22.52 C ATOM 521 CZ3 TRP A 34 -2.841 18.024 12.612 1.00 71.12 C ATOM 522 CH2 TRP A 34 -2.897 16.648 12.418 1.00 50.14 C ATOM 0 H TRP A 34 0.751 20.184 8.568 1.00 63.34 H new ATOM 0 HA TRP A 34 -0.921 20.918 10.790 1.00 24.10 H new ATOM 0 HB2 TRP A 34 1.984 20.165 10.581 1.00 21.32 H new ATOM 0 HB3 TRP A 34 1.125 20.443 12.083 1.00 21.32 H new ATOM 0 HD1 TRP A 34 2.131 17.613 10.087 1.00 44.43 H new ATOM 0 HE1 TRP A 34 0.691 15.491 10.460 1.00 24.13 H new ATOM 0 HE3 TRP A 34 -1.761 19.906 12.385 1.00 10.44 H new ATOM 0 HZ2 TRP A 34 -1.841 14.926 11.619 1.00 22.52 H new ATOM 0 HZ3 TRP A 34 -3.680 18.497 13.101 1.00 71.12 H new ATOM 0 HH2 TRP A 34 -3.757 16.087 12.753 1.00 50.14 H new ATOM 533 N ASN A 35 1.626 22.874 10.002 1.00 40.01 N ATOM 534 CA ASN A 35 2.129 24.235 10.097 1.00 65.53 C ATOM 535 C ASN A 35 1.822 24.979 8.796 1.00 74.44 C ATOM 536 O ASN A 35 2.473 24.749 7.778 1.00 31.32 O ATOM 537 CB ASN A 35 3.645 24.249 10.305 1.00 24.23 C ATOM 538 CG ASN A 35 4.069 23.179 11.312 1.00 75.14 C ATOM 539 OD1 ASN A 35 3.441 22.968 12.337 1.00 24.41 O ATOM 540 ND2 ASN A 35 5.169 22.516 10.966 1.00 15.04 N ATOM 0 H ASN A 35 2.247 22.223 9.522 1.00 40.01 H new ATOM 0 HA ASN A 35 1.645 24.715 10.947 1.00 65.53 H new ATOM 0 HB2 ASN A 35 4.148 24.078 9.353 1.00 24.23 H new ATOM 0 HB3 ASN A 35 3.958 25.231 10.659 1.00 24.23 H new ATOM 0 HD21 ASN A 35 5.534 21.782 11.573 1.00 15.04 H new ATOM 0 HD22 ASN A 35 5.647 22.742 10.094 1.00 15.04 H new TER 547 ASN A 35