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 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0238) USER MOD Single : A 15 SER OG : rot -68:sc= 0.941 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= -0.143 X(o=-0.14,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.048 K(o=-0.048,f=-2!) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.148 -0.189 -5.298 1.00 11.00 N ATOM 2 CA GLY A 1 -29.761 -1.464 -4.968 1.00 43.05 C ATOM 3 C GLY A 1 -28.717 -2.457 -4.451 1.00 52.24 C ATOM 4 O GLY A 1 -28.925 -3.105 -3.427 1.00 25.03 O ATOM 0 H1 GLY A 1 -29.888 0.497 -5.549 1.00 11.00 H new ATOM 0 H2 GLY A 1 -28.614 0.162 -4.478 1.00 11.00 H new ATOM 0 H3 GLY A 1 -28.503 -0.312 -6.104 1.00 11.00 H new ATOM 0 HA2 GLY A 1 -30.533 -1.316 -4.213 1.00 43.05 H new ATOM 0 HA3 GLY A 1 -30.253 -1.874 -5.850 1.00 43.05 H new ATOM 8 N ILE A 2 -27.618 -2.546 -5.186 1.00 22.12 N ATOM 9 CA ILE A 2 -26.541 -3.448 -4.814 1.00 50.32 C ATOM 10 C ILE A 2 -25.688 -2.797 -3.725 1.00 33.14 C ATOM 11 O ILE A 2 -25.634 -3.287 -2.598 1.00 72.41 O ATOM 12 CB ILE A 2 -25.743 -3.868 -6.051 1.00 75.14 C ATOM 13 CG1 ILE A 2 -26.271 -5.186 -6.622 1.00 4.31 C ATOM 14 CG2 ILE A 2 -24.248 -3.935 -5.742 1.00 4.03 C ATOM 15 CD1 ILE A 2 -25.517 -6.379 -6.033 1.00 4.11 C ATOM 0 H ILE A 2 -27.450 -2.009 -6.037 1.00 22.12 H new ATOM 0 HA ILE A 2 -26.945 -4.369 -4.394 1.00 50.32 H new ATOM 0 HB ILE A 2 -25.878 -3.107 -6.820 1.00 75.14 H new ATOM 0 HG12 ILE A 2 -27.335 -5.280 -6.405 1.00 4.31 H new ATOM 0 HG13 ILE A 2 -26.166 -5.184 -7.707 1.00 4.31 H new ATOM 0 HG21 ILE A 2 -23.704 -4.236 -6.638 1.00 4.03 H new ATOM 0 HG22 ILE A 2 -23.899 -2.955 -5.418 1.00 4.03 H new ATOM 0 HG23 ILE A 2 -24.072 -4.663 -4.950 1.00 4.03 H new ATOM 0 HD11 ILE A 2 -25.912 -7.303 -6.455 1.00 4.11 H new ATOM 0 HD12 ILE A 2 -24.457 -6.294 -6.273 1.00 4.11 H new ATOM 0 HD13 ILE A 2 -25.644 -6.391 -4.951 1.00 4.11 H new ATOM 27 N GLY A 3 -25.042 -1.702 -4.099 1.00 44.12 N ATOM 28 CA GLY A 3 -24.193 -0.979 -3.167 1.00 23.11 C ATOM 29 C GLY A 3 -22.783 -0.802 -3.733 1.00 54.11 C ATOM 30 O GLY A 3 -21.916 -1.650 -3.527 1.00 54.32 O ATOM 0 H GLY A 3 -25.089 -1.298 -5.034 1.00 44.12 H new ATOM 0 HA2 GLY A 3 -24.629 -0.003 -2.955 1.00 23.11 H new ATOM 0 HA3 GLY A 3 -24.144 -1.518 -2.221 1.00 23.11 H new ATOM 34 N ALA A 4 -22.597 0.306 -4.437 1.00 61.11 N ATOM 35 CA ALA A 4 -21.307 0.605 -5.035 1.00 62.13 C ATOM 36 C ALA A 4 -20.394 1.232 -3.979 1.00 33.32 C ATOM 37 O ALA A 4 -19.197 1.399 -4.209 1.00 74.22 O ATOM 38 CB ALA A 4 -21.505 1.514 -6.249 1.00 13.11 C ATOM 0 H ALA A 4 -23.318 1.007 -4.606 1.00 61.11 H new ATOM 0 HA ALA A 4 -20.826 -0.308 -5.387 1.00 62.13 H new ATOM 0 HB1 ALA A 4 -20.537 1.738 -6.697 1.00 13.11 H new ATOM 0 HB2 ALA A 4 -22.136 1.011 -6.981 1.00 13.11 H new ATOM 0 HB3 ALA A 4 -21.983 2.442 -5.935 1.00 13.11 H new ATOM 44 N PHE A 5 -20.994 1.563 -2.845 1.00 24.11 N ATOM 45 CA PHE A 5 -20.250 2.168 -1.754 1.00 21.53 C ATOM 46 C PHE A 5 -19.434 1.118 -0.997 1.00 12.14 C ATOM 47 O PHE A 5 -18.676 1.452 -0.088 1.00 63.24 O ATOM 48 CB PHE A 5 -21.276 2.784 -0.801 1.00 32.42 C ATOM 49 CG PHE A 5 -21.753 4.177 -1.215 1.00 34.21 C ATOM 50 CD1 PHE A 5 -22.327 4.365 -2.434 1.00 3.15 C ATOM 51 CD2 PHE A 5 -21.604 5.228 -0.365 1.00 21.12 C ATOM 52 CE1 PHE A 5 -22.769 5.657 -2.819 1.00 53.53 C ATOM 53 CE2 PHE A 5 -22.047 6.522 -0.750 1.00 5.25 C ATOM 54 CZ PHE A 5 -22.620 6.709 -1.970 1.00 63.52 C ATOM 0 H PHE A 5 -21.987 1.424 -2.658 1.00 24.11 H new ATOM 0 HA PHE A 5 -19.558 2.914 -2.145 1.00 21.53 H new ATOM 0 HB2 PHE A 5 -22.139 2.121 -0.734 1.00 32.42 H new ATOM 0 HB3 PHE A 5 -20.841 2.842 0.197 1.00 32.42 H new ATOM 0 HD1 PHE A 5 -22.446 3.530 -3.109 1.00 3.15 H new ATOM 0 HD2 PHE A 5 -21.149 5.079 0.603 1.00 21.12 H new ATOM 0 HE1 PHE A 5 -23.224 5.805 -3.787 1.00 53.53 H new ATOM 0 HE2 PHE A 5 -21.929 7.357 -0.075 1.00 5.25 H new ATOM 0 HZ PHE A 5 -22.956 7.692 -2.264 1.00 63.52 H new ATOM 64 N GLY A 6 -19.617 -0.131 -1.400 1.00 15.23 N ATOM 65 CA GLY A 6 -18.908 -1.232 -0.771 1.00 43.33 C ATOM 66 C GLY A 6 -17.510 -1.397 -1.371 1.00 30.22 C ATOM 67 O GLY A 6 -16.581 -1.815 -0.682 1.00 64.11 O ATOM 0 H GLY A 6 -20.246 -0.405 -2.155 1.00 15.23 H new ATOM 0 HA2 GLY A 6 -18.829 -1.053 0.301 1.00 43.33 H new ATOM 0 HA3 GLY A 6 -19.474 -2.155 -0.899 1.00 43.33 H new ATOM 71 N LEU A 7 -17.404 -1.059 -2.648 1.00 31.42 N ATOM 72 CA LEU A 7 -16.135 -1.164 -3.347 1.00 15.13 C ATOM 73 C LEU A 7 -15.236 0.006 -2.942 1.00 63.21 C ATOM 74 O LEU A 7 -14.012 -0.089 -3.024 1.00 43.21 O ATOM 75 CB LEU A 7 -16.363 -1.271 -4.856 1.00 11.34 C ATOM 76 CG LEU A 7 -15.150 -1.691 -5.689 1.00 11.21 C ATOM 77 CD1 LEU A 7 -15.370 -3.066 -6.323 1.00 61.22 C ATOM 78 CD2 LEU A 7 -14.806 -0.627 -6.733 1.00 12.12 C ATOM 0 H LEU A 7 -18.177 -0.712 -3.217 1.00 31.42 H new ATOM 0 HA LEU A 7 -15.616 -2.079 -3.060 1.00 15.13 H new ATOM 0 HB2 LEU A 7 -17.166 -1.987 -5.032 1.00 11.34 H new ATOM 0 HB3 LEU A 7 -16.712 -0.305 -5.220 1.00 11.34 H new ATOM 0 HG LEU A 7 -14.292 -1.777 -5.023 1.00 11.21 H new ATOM 0 HD11 LEU A 7 -14.493 -3.341 -6.909 1.00 61.22 H new ATOM 0 HD12 LEU A 7 -15.529 -3.807 -5.539 1.00 61.22 H new ATOM 0 HD13 LEU A 7 -16.245 -3.031 -6.972 1.00 61.22 H new ATOM 0 HD21 LEU A 7 -13.940 -0.951 -7.311 1.00 12.12 H new ATOM 0 HD22 LEU A 7 -15.656 -0.484 -7.401 1.00 12.12 H new ATOM 0 HD23 LEU A 7 -14.577 0.313 -6.232 1.00 12.12 H new ATOM 90 N LEU A 8 -15.878 1.083 -2.512 1.00 4.02 N ATOM 91 CA LEU A 8 -15.151 2.269 -2.094 1.00 53.11 C ATOM 92 C LEU A 8 -14.204 1.905 -0.949 1.00 31.33 C ATOM 93 O LEU A 8 -13.020 2.235 -0.990 1.00 12.14 O ATOM 94 CB LEU A 8 -16.123 3.400 -1.752 1.00 53.24 C ATOM 95 CG LEU A 8 -16.326 4.461 -2.835 1.00 15.43 C ATOM 96 CD1 LEU A 8 -16.669 3.814 -4.179 1.00 33.20 C ATOM 97 CD2 LEU A 8 -17.378 5.487 -2.408 1.00 51.42 C ATOM 0 H LEU A 8 -16.893 1.158 -2.444 1.00 4.02 H new ATOM 0 HA LEU A 8 -14.534 2.645 -2.910 1.00 53.11 H new ATOM 0 HB2 LEU A 8 -17.092 2.960 -1.516 1.00 53.24 H new ATOM 0 HB3 LEU A 8 -15.769 3.895 -0.848 1.00 53.24 H new ATOM 0 HG LEU A 8 -15.387 4.999 -2.966 1.00 15.43 H new ATOM 0 HD11 LEU A 8 -16.808 4.590 -4.931 1.00 33.20 H new ATOM 0 HD12 LEU A 8 -15.856 3.155 -4.484 1.00 33.20 H new ATOM 0 HD13 LEU A 8 -17.587 3.235 -4.080 1.00 33.20 H new ATOM 0 HD21 LEU A 8 -17.503 6.230 -3.196 1.00 51.42 H new ATOM 0 HD22 LEU A 8 -18.328 4.982 -2.231 1.00 51.42 H new ATOM 0 HD23 LEU A 8 -17.054 5.981 -1.492 1.00 51.42 H new ATOM 109 N GLY A 9 -14.761 1.230 0.046 1.00 2.50 N ATOM 110 CA GLY A 9 -13.981 0.818 1.199 1.00 62.44 C ATOM 111 C GLY A 9 -12.835 -0.107 0.785 1.00 11.32 C ATOM 112 O GLY A 9 -11.714 0.031 1.271 1.00 31.31 O ATOM 0 H GLY A 9 -15.744 0.958 0.077 1.00 2.50 H new ATOM 0 HA2 GLY A 9 -13.579 1.697 1.703 1.00 62.44 H new ATOM 0 HA3 GLY A 9 -14.625 0.307 1.914 1.00 62.44 H new ATOM 116 N PHE A 10 -13.155 -1.029 -0.112 1.00 32.33 N ATOM 117 CA PHE A 10 -12.166 -1.976 -0.597 1.00 74.13 C ATOM 118 C PHE A 10 -11.063 -1.263 -1.383 1.00 31.41 C ATOM 119 O PHE A 10 -9.922 -1.723 -1.415 1.00 74.14 O ATOM 120 CB PHE A 10 -12.894 -2.945 -1.531 1.00 73.35 C ATOM 121 CG PHE A 10 -12.044 -3.439 -2.703 1.00 23.33 C ATOM 122 CD1 PHE A 10 -11.318 -4.582 -2.581 1.00 21.43 C ATOM 123 CD2 PHE A 10 -12.014 -2.735 -3.866 1.00 35.53 C ATOM 124 CE1 PHE A 10 -10.528 -5.042 -3.668 1.00 15.24 C ATOM 125 CE2 PHE A 10 -11.224 -3.193 -4.953 1.00 10.13 C ATOM 126 CZ PHE A 10 -10.498 -4.337 -4.831 1.00 13.03 C ATOM 0 H PHE A 10 -14.085 -1.140 -0.515 1.00 32.33 H new ATOM 0 HA PHE A 10 -11.702 -2.492 0.244 1.00 74.13 H new ATOM 0 HB2 PHE A 10 -13.232 -3.805 -0.953 1.00 73.35 H new ATOM 0 HB3 PHE A 10 -13.785 -2.455 -1.923 1.00 73.35 H new ATOM 0 HD1 PHE A 10 -11.342 -5.141 -1.657 1.00 21.43 H new ATOM 0 HD2 PHE A 10 -12.591 -1.827 -3.963 1.00 35.53 H new ATOM 0 HE1 PHE A 10 -9.952 -5.950 -3.571 1.00 15.24 H new ATOM 0 HE2 PHE A 10 -11.199 -2.633 -5.876 1.00 10.13 H new ATOM 0 HZ PHE A 10 -9.897 -4.686 -5.658 1.00 13.03 H new ATOM 136 N LEU A 11 -11.442 -0.151 -1.995 1.00 30.11 N ATOM 137 CA LEU A 11 -10.499 0.631 -2.778 1.00 53.13 C ATOM 138 C LEU A 11 -9.483 1.284 -1.839 1.00 32.13 C ATOM 139 O LEU A 11 -8.299 1.369 -2.162 1.00 0.51 O ATOM 140 CB LEU A 11 -11.241 1.627 -3.671 1.00 22.34 C ATOM 141 CG LEU A 11 -10.418 2.263 -4.793 1.00 31.54 C ATOM 142 CD1 LEU A 11 -10.359 1.348 -6.017 1.00 41.32 C ATOM 143 CD2 LEU A 11 -10.951 3.654 -5.143 1.00 23.03 C ATOM 0 H LEU A 11 -12.389 0.227 -1.965 1.00 30.11 H new ATOM 0 HA LEU A 11 -9.939 -0.013 -3.456 1.00 53.13 H new ATOM 0 HB2 LEU A 11 -12.095 1.118 -4.117 1.00 22.34 H new ATOM 0 HB3 LEU A 11 -11.638 2.424 -3.042 1.00 22.34 H new ATOM 0 HG LEU A 11 -9.396 2.390 -4.436 1.00 31.54 H new ATOM 0 HD11 LEU A 11 -9.768 1.824 -6.799 1.00 41.32 H new ATOM 0 HD12 LEU A 11 -9.898 0.400 -5.741 1.00 41.32 H new ATOM 0 HD13 LEU A 11 -11.369 1.167 -6.385 1.00 41.32 H new ATOM 0 HD21 LEU A 11 -10.348 4.084 -5.943 1.00 23.03 H new ATOM 0 HD22 LEU A 11 -11.987 3.574 -5.472 1.00 23.03 H new ATOM 0 HD23 LEU A 11 -10.898 4.296 -4.264 1.00 23.03 H new ATOM 155 N ALA A 12 -9.983 1.730 -0.696 1.00 24.14 N ATOM 156 CA ALA A 12 -9.132 2.373 0.292 1.00 42.31 C ATOM 157 C ALA A 12 -8.168 1.341 0.878 1.00 61.35 C ATOM 158 O ALA A 12 -7.058 1.683 1.284 1.00 72.22 O ATOM 159 CB ALA A 12 -10.003 3.033 1.363 1.00 61.50 C ATOM 0 H ALA A 12 -10.966 1.659 -0.432 1.00 24.14 H new ATOM 0 HA ALA A 12 -8.533 3.158 -0.170 1.00 42.31 H new ATOM 0 HB1 ALA A 12 -9.366 3.515 2.104 1.00 61.50 H new ATOM 0 HB2 ALA A 12 -10.648 3.779 0.899 1.00 61.50 H new ATOM 0 HB3 ALA A 12 -10.617 2.276 1.850 1.00 61.50 H new ATOM 165 N ALA A 13 -8.627 0.098 0.906 1.00 21.05 N ATOM 166 CA ALA A 13 -7.819 -0.987 1.436 1.00 4.03 C ATOM 167 C ALA A 13 -6.500 -1.061 0.662 1.00 73.52 C ATOM 168 O ALA A 13 -5.457 -1.374 1.234 1.00 62.24 O ATOM 169 CB ALA A 13 -8.609 -2.294 1.367 1.00 50.00 C ATOM 0 H ALA A 13 -9.549 -0.182 0.570 1.00 21.05 H new ATOM 0 HA ALA A 13 -7.577 -0.808 2.484 1.00 4.03 H new ATOM 0 HB1 ALA A 13 -8.002 -3.107 1.765 1.00 50.00 H new ATOM 0 HB2 ALA A 13 -9.521 -2.200 1.957 1.00 50.00 H new ATOM 0 HB3 ALA A 13 -8.868 -2.508 0.330 1.00 50.00 H new ATOM 175 N GLY A 14 -6.591 -0.766 -0.626 1.00 12.44 N ATOM 176 CA GLY A 14 -5.418 -0.795 -1.484 1.00 73.03 C ATOM 177 C GLY A 14 -4.461 0.348 -1.143 1.00 1.05 C ATOM 178 O GLY A 14 -3.243 0.169 -1.157 1.00 62.44 O ATOM 0 H GLY A 14 -7.458 -0.506 -1.096 1.00 12.44 H new ATOM 0 HA2 GLY A 14 -4.904 -1.750 -1.372 1.00 73.03 H new ATOM 0 HA3 GLY A 14 -5.724 -0.719 -2.527 1.00 73.03 H new ATOM 182 N SER A 15 -5.046 1.499 -0.846 1.00 11.12 N ATOM 183 CA SER A 15 -4.260 2.671 -0.502 1.00 32.14 C ATOM 184 C SER A 15 -3.365 2.367 0.702 1.00 12.41 C ATOM 185 O SER A 15 -2.263 2.903 0.812 1.00 63.21 O ATOM 186 CB SER A 15 -5.161 3.871 -0.203 1.00 51.31 C ATOM 187 OG SER A 15 -5.461 3.981 1.185 1.00 41.05 O ATOM 0 H SER A 15 -6.055 1.645 -0.837 1.00 11.12 H new ATOM 0 HA SER A 15 -3.634 2.925 -1.357 1.00 32.14 H new ATOM 0 HB2 SER A 15 -4.672 4.784 -0.542 1.00 51.31 H new ATOM 0 HB3 SER A 15 -6.088 3.778 -0.768 1.00 51.31 H new ATOM 0 HG SER A 15 -6.029 3.230 1.457 1.00 41.05 H new ATOM 193 N LYS A 16 -3.873 1.509 1.574 1.00 62.24 N ATOM 194 CA LYS A 16 -3.135 1.127 2.765 1.00 21.44 C ATOM 195 C LYS A 16 -1.739 0.646 2.362 1.00 43.21 C ATOM 196 O LYS A 16 -0.737 1.119 2.896 1.00 54.32 O ATOM 197 CB LYS A 16 -3.926 0.104 3.582 1.00 43.35 C ATOM 198 CG LYS A 16 -5.260 0.689 4.049 1.00 52.34 C ATOM 199 CD LYS A 16 -5.261 0.914 5.561 1.00 35.44 C ATOM 200 CE LYS A 16 -6.603 1.480 6.032 1.00 11.44 C ATOM 201 NZ LYS A 16 -6.393 2.520 7.063 1.00 75.15 N ATOM 0 H LYS A 16 -4.788 1.067 1.479 1.00 62.24 H new ATOM 0 HA LYS A 16 -3.000 1.987 3.421 1.00 21.44 H new ATOM 0 HB2 LYS A 16 -4.106 -0.787 2.980 1.00 43.35 H new ATOM 0 HB3 LYS A 16 -3.340 -0.209 4.446 1.00 43.35 H new ATOM 0 HG2 LYS A 16 -5.446 1.633 3.537 1.00 52.34 H new ATOM 0 HG3 LYS A 16 -6.072 0.014 3.778 1.00 52.34 H new ATOM 0 HD2 LYS A 16 -5.060 -0.028 6.072 1.00 35.44 H new ATOM 0 HD3 LYS A 16 -4.458 1.601 5.830 1.00 35.44 H new ATOM 0 HE2 LYS A 16 -7.143 1.903 5.185 1.00 11.44 H new ATOM 0 HE3 LYS A 16 -7.221 0.678 6.436 1.00 11.44 H new ATOM 0 HZ1 LYS A 16 -7.313 2.894 7.372 1.00 75.15 H new ATOM 0 HZ2 LYS A 16 -5.896 2.106 7.878 1.00 75.15 H new ATOM 0 HZ3 LYS A 16 -5.822 3.293 6.665 1.00 75.15 H new ATOM 214 N LYS A 17 -1.719 -0.289 1.424 1.00 23.22 N ATOM 215 CA LYS A 17 -0.463 -0.840 0.943 1.00 33.42 C ATOM 216 C LYS A 17 0.082 0.047 -0.178 1.00 43.22 C ATOM 217 O LYS A 17 1.093 0.726 -0.002 1.00 45.04 O ATOM 218 CB LYS A 17 -0.640 -2.305 0.538 1.00 54.51 C ATOM 219 CG LYS A 17 -1.392 -3.085 1.617 1.00 43.14 C ATOM 220 CD LYS A 17 -0.800 -4.485 1.795 1.00 24.21 C ATOM 221 CE LYS A 17 -1.743 -5.381 2.601 1.00 31.24 C ATOM 222 NZ LYS A 17 -2.254 -6.485 1.759 1.00 74.23 N ATOM 0 H LYS A 17 -2.552 -0.679 0.984 1.00 23.22 H new ATOM 0 HA LYS A 17 0.282 -0.842 1.739 1.00 33.42 H new ATOM 0 HB2 LYS A 17 -1.186 -2.362 -0.404 1.00 54.51 H new ATOM 0 HB3 LYS A 17 0.336 -2.760 0.369 1.00 54.51 H new ATOM 0 HG2 LYS A 17 -1.345 -2.543 2.562 1.00 43.14 H new ATOM 0 HG3 LYS A 17 -2.445 -3.163 1.347 1.00 43.14 H new ATOM 0 HD2 LYS A 17 -0.614 -4.932 0.818 1.00 24.21 H new ATOM 0 HD3 LYS A 17 0.162 -4.415 2.302 1.00 24.21 H new ATOM 0 HE2 LYS A 17 -1.218 -5.788 3.465 1.00 31.24 H new ATOM 0 HE3 LYS A 17 -2.576 -4.791 2.983 1.00 31.24 H new ATOM 0 HZ1 LYS A 17 -2.892 -7.083 2.321 1.00 74.23 H new ATOM 0 HZ2 LYS A 17 -2.773 -6.092 0.948 1.00 74.23 H new ATOM 0 HZ3 LYS A 17 -1.456 -7.057 1.415 1.00 74.23 H new HETATM 235 C1 ACA A 18 1.939 2.473 -7.044 1.00 5.50 C HETATM 236 O1 ACA A 18 2.784 2.476 -7.937 1.00 12.32 O HETATM 237 C2 ACA A 18 2.777 2.302 -5.837 1.00 63.51 C HETATM 238 C3 ACA A 18 1.903 2.240 -4.582 1.00 73.21 C HETATM 239 C4 ACA A 18 1.646 0.791 -4.162 1.00 12.05 C HETATM 240 C5 ACA A 18 1.300 0.705 -2.674 1.00 22.04 C HETATM 241 C6 ACA A 18 -0.210 0.806 -2.456 1.00 20.01 C HETATM 242 N6 ACA A 18 -0.612 0.013 -1.307 1.00 23.40 N HETATM 0 HN62 ACA A 18 -1.593 -0.023 -1.030 1.00 23.40 H new HETATM 0 H62 ACA A 18 -0.493 1.848 -2.303 1.00 20.01 H new HETATM 0 H61 ACA A 18 -0.736 0.460 -3.346 1.00 20.01 H new HETATM 0 H52 ACA A 18 1.668 -0.236 -2.265 1.00 22.04 H new HETATM 0 H51 ACA A 18 1.804 1.506 -2.133 1.00 22.04 H new HETATM 0 H42 ACA A 18 0.830 0.376 -4.753 1.00 12.05 H new HETATM 0 H41 ACA A 18 2.529 0.186 -4.369 1.00 12.05 H new HETATM 0 H32 ACA A 18 2.391 2.777 -3.768 1.00 73.21 H new HETATM 0 H31 ACA A 18 0.954 2.741 -4.771 1.00 73.21 H new HETATM 0 H22 ACA A 18 3.366 1.389 -5.922 1.00 63.51 H new HETATM 0 H21 ACA A 18 3.482 3.130 -5.756 1.00 63.51 H new ATOM 254 N LYS A 19 0.873 1.686 -7.024 1.00 52.13 N ATOM 255 CA LYS A 19 0.620 0.739 -8.096 1.00 43.11 C ATOM 256 C LYS A 19 -0.375 1.348 -9.085 1.00 11.55 C ATOM 257 O LYS A 19 -0.330 1.054 -10.279 1.00 24.34 O ATOM 258 CB LYS A 19 0.174 -0.609 -7.526 1.00 55.43 C ATOM 259 CG LYS A 19 1.379 -1.494 -7.204 1.00 41.33 C ATOM 260 CD LYS A 19 1.102 -2.375 -5.984 1.00 32.30 C ATOM 261 CE LYS A 19 2.181 -3.448 -5.825 1.00 53.54 C ATOM 262 NZ LYS A 19 2.498 -3.658 -4.395 1.00 14.10 N ATOM 0 HA LYS A 19 1.537 0.537 -8.650 1.00 43.11 H new ATOM 0 HB2 LYS A 19 -0.416 -0.449 -6.623 1.00 55.43 H new ATOM 0 HB3 LYS A 19 -0.472 -1.115 -8.243 1.00 55.43 H new ATOM 0 HG2 LYS A 19 1.614 -2.121 -8.064 1.00 41.33 H new ATOM 0 HG3 LYS A 19 2.253 -0.870 -7.016 1.00 41.33 H new ATOM 0 HD2 LYS A 19 1.063 -1.758 -5.087 1.00 32.30 H new ATOM 0 HD3 LYS A 19 0.126 -2.849 -6.087 1.00 32.30 H new ATOM 0 HE2 LYS A 19 1.840 -4.383 -6.269 1.00 53.54 H new ATOM 0 HE3 LYS A 19 3.081 -3.149 -6.363 1.00 53.54 H new ATOM 0 HZ1 LYS A 19 3.232 -4.389 -4.306 1.00 14.10 H new ATOM 0 HZ2 LYS A 19 2.844 -2.768 -3.982 1.00 14.10 H new ATOM 0 HZ3 LYS A 19 1.641 -3.964 -3.891 1.00 14.10 H new ATOM 275 N ASN A 20 -1.251 2.188 -8.553 1.00 74.03 N ATOM 276 CA ASN A 20 -2.256 2.842 -9.374 1.00 24.25 C ATOM 277 C ASN A 20 -2.110 4.359 -9.239 1.00 12.05 C ATOM 278 O ASN A 20 -1.840 4.866 -8.151 1.00 41.42 O ATOM 279 CB ASN A 20 -3.668 2.461 -8.925 1.00 33.23 C ATOM 280 CG ASN A 20 -3.915 0.962 -9.107 1.00 12.32 C ATOM 281 OD1 ASN A 20 -4.229 0.241 -8.175 1.00 41.33 O ATOM 282 ND2 ASN A 20 -3.758 0.536 -10.357 1.00 53.35 N ATOM 0 H ASN A 20 -1.286 2.431 -7.563 1.00 74.03 H new ATOM 0 HA ASN A 20 -2.108 2.523 -10.406 1.00 24.25 H new ATOM 0 HB2 ASN A 20 -3.806 2.732 -7.878 1.00 33.23 H new ATOM 0 HB3 ASN A 20 -4.401 3.027 -9.500 1.00 33.23 H new ATOM 0 HD21 ASN A 20 -3.902 -0.448 -10.582 1.00 53.35 H new ATOM 0 HD22 ASN A 20 -3.494 1.194 -11.091 1.00 53.35 H new ATOM 289 N GLU A 21 -2.294 5.041 -10.361 1.00 64.22 N ATOM 290 CA GLU A 21 -2.187 6.490 -10.381 1.00 44.31 C ATOM 291 C GLU A 21 -3.187 7.110 -9.405 1.00 73.51 C ATOM 292 O GLU A 21 -2.868 8.077 -8.714 1.00 74.22 O ATOM 293 CB GLU A 21 -2.391 7.035 -11.797 1.00 62.32 C ATOM 294 CG GLU A 21 -1.380 8.140 -12.110 1.00 71.23 C ATOM 295 CD GLU A 21 -2.038 9.278 -12.894 1.00 64.34 C ATOM 296 OE1 GLU A 21 -2.019 10.433 -12.442 1.00 52.20 O ATOM 297 OE2 GLU A 21 -2.581 8.928 -14.009 1.00 54.42 O ATOM 0 H GLU A 21 -2.516 4.617 -11.262 1.00 64.22 H new ATOM 0 HA GLU A 21 -1.182 6.765 -10.063 1.00 44.31 H new ATOM 0 HB2 GLU A 21 -2.287 6.226 -12.520 1.00 62.32 H new ATOM 0 HB3 GLU A 21 -3.404 7.425 -11.898 1.00 62.32 H new ATOM 0 HG2 GLU A 21 -0.961 8.528 -11.182 1.00 71.23 H new ATOM 0 HG3 GLU A 21 -0.552 7.728 -12.686 1.00 71.23 H new ATOM 305 N GLN A 22 -4.378 6.530 -9.378 1.00 63.53 N ATOM 306 CA GLN A 22 -5.427 7.014 -8.497 1.00 43.45 C ATOM 307 C GLN A 22 -4.948 7.002 -7.044 1.00 35.04 C ATOM 308 O GLN A 22 -4.994 8.027 -6.365 1.00 31.22 O ATOM 309 CB GLN A 22 -6.704 6.186 -8.660 1.00 72.14 C ATOM 310 CG GLN A 22 -7.910 7.087 -8.935 1.00 64.33 C ATOM 311 CD GLN A 22 -8.477 7.656 -7.632 1.00 41.44 C ATOM 312 OE1 GLN A 22 -7.759 8.119 -6.762 1.00 51.31 O ATOM 313 NE2 GLN A 22 -9.804 7.594 -7.547 1.00 22.24 N ATOM 0 H GLN A 22 -4.640 5.729 -9.953 1.00 63.53 H new ATOM 0 HA GLN A 22 -5.661 8.042 -8.773 1.00 43.45 H new ATOM 0 HB2 GLN A 22 -6.580 5.478 -9.479 1.00 72.14 H new ATOM 0 HB3 GLN A 22 -6.881 5.601 -7.757 1.00 72.14 H new ATOM 0 HG2 GLN A 22 -7.616 7.903 -9.595 1.00 64.33 H new ATOM 0 HG3 GLN A 22 -8.682 6.519 -9.455 1.00 64.33 H new ATOM 0 HE21 GLN A 22 -10.346 7.193 -8.313 1.00 22.24 H new ATOM 0 HE22 GLN A 22 -10.279 7.947 -6.716 1.00 22.24 H new ATOM 322 N GLU A 23 -4.499 5.834 -6.611 1.00 35.01 N ATOM 323 CA GLU A 23 -4.012 5.677 -5.252 1.00 62.35 C ATOM 324 C GLU A 23 -2.878 6.667 -4.976 1.00 61.34 C ATOM 325 O GLU A 23 -2.691 7.101 -3.840 1.00 43.21 O ATOM 326 CB GLU A 23 -3.557 4.239 -4.995 1.00 71.14 C ATOM 327 CG GLU A 23 -4.752 3.282 -4.971 1.00 30.21 C ATOM 328 CD GLU A 23 -4.298 1.844 -4.716 1.00 50.33 C ATOM 329 OE1 GLU A 23 -5.072 0.901 -4.939 1.00 64.44 O ATOM 330 OE2 GLU A 23 -3.092 1.723 -4.273 1.00 52.55 O ATOM 0 H GLU A 23 -4.462 4.987 -7.178 1.00 35.01 H new ATOM 0 HA GLU A 23 -4.832 5.893 -4.567 1.00 62.35 H new ATOM 0 HB2 GLU A 23 -2.856 3.931 -5.771 1.00 71.14 H new ATOM 0 HB3 GLU A 23 -3.025 4.186 -4.045 1.00 71.14 H new ATOM 0 HG2 GLU A 23 -5.453 3.589 -4.194 1.00 30.21 H new ATOM 0 HG3 GLU A 23 -5.285 3.336 -5.920 1.00 30.21 H new ATOM 338 N LEU A 24 -2.152 6.996 -6.034 1.00 42.35 N ATOM 339 CA LEU A 24 -1.042 7.927 -5.921 1.00 52.22 C ATOM 340 C LEU A 24 -1.588 9.349 -5.783 1.00 15.04 C ATOM 341 O LEU A 24 -1.039 10.160 -5.038 1.00 25.43 O ATOM 342 CB LEU A 24 -0.073 7.750 -7.092 1.00 72.12 C ATOM 343 CG LEU A 24 1.407 7.626 -6.724 1.00 70.50 C ATOM 344 CD1 LEU A 24 1.871 8.830 -5.902 1.00 10.11 C ATOM 345 CD2 LEU A 24 1.684 6.303 -6.009 1.00 65.24 C ATOM 0 H LEU A 24 -2.311 6.634 -6.974 1.00 42.35 H new ATOM 0 HA LEU A 24 -0.460 7.720 -5.023 1.00 52.22 H new ATOM 0 HB2 LEU A 24 -0.365 6.859 -7.648 1.00 72.12 H new ATOM 0 HB3 LEU A 24 -0.190 8.599 -7.766 1.00 72.12 H new ATOM 0 HG LEU A 24 1.989 7.623 -7.646 1.00 70.50 H new ATOM 0 HD11 LEU A 24 2.926 8.716 -5.654 1.00 10.11 H new ATOM 0 HD12 LEU A 24 1.731 9.742 -6.482 1.00 10.11 H new ATOM 0 HD13 LEU A 24 1.287 8.890 -4.984 1.00 10.11 H new ATOM 0 HD21 LEU A 24 2.743 6.240 -5.758 1.00 65.24 H new ATOM 0 HD22 LEU A 24 1.091 6.252 -5.096 1.00 65.24 H new ATOM 0 HD23 LEU A 24 1.416 5.473 -6.663 1.00 65.24 H new ATOM 357 N LEU A 25 -2.663 9.610 -6.513 1.00 34.04 N ATOM 358 CA LEU A 25 -3.288 10.921 -6.481 1.00 50.11 C ATOM 359 C LEU A 25 -3.864 11.173 -5.086 1.00 31.31 C ATOM 360 O LEU A 25 -3.856 12.305 -4.603 1.00 63.24 O ATOM 361 CB LEU A 25 -4.320 11.049 -7.604 1.00 0.45 C ATOM 362 CG LEU A 25 -3.936 11.968 -8.766 1.00 73.21 C ATOM 363 CD1 LEU A 25 -3.011 11.250 -9.750 1.00 35.33 C ATOM 364 CD2 LEU A 25 -5.181 12.531 -9.455 1.00 23.40 C ATOM 0 H LEU A 25 -3.117 8.936 -7.130 1.00 34.04 H new ATOM 0 HA LEU A 25 -2.549 11.700 -6.667 1.00 50.11 H new ATOM 0 HB2 LEU A 25 -4.518 10.054 -8.004 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -5.253 11.411 -7.173 1.00 0.45 H new ATOM 0 HG LEU A 25 -3.381 12.815 -8.363 1.00 73.21 H new ATOM 0 HD11 LEU A 25 -2.753 11.925 -10.566 1.00 35.33 H new ATOM 0 HD12 LEU A 25 -2.102 10.940 -9.235 1.00 35.33 H new ATOM 0 HD13 LEU A 25 -3.518 10.372 -10.152 1.00 35.33 H new ATOM 0 HD21 LEU A 25 -4.880 13.181 -10.277 1.00 23.40 H new ATOM 0 HD22 LEU A 25 -5.784 11.710 -9.843 1.00 23.40 H new ATOM 0 HD23 LEU A 25 -5.767 13.104 -8.736 1.00 23.40 H new ATOM 376 N GLU A 26 -4.348 10.101 -4.478 1.00 73.12 N ATOM 377 CA GLU A 26 -4.926 10.192 -3.147 1.00 55.41 C ATOM 378 C GLU A 26 -3.825 10.382 -2.103 1.00 71.43 C ATOM 379 O GLU A 26 -4.038 11.040 -1.085 1.00 15.05 O ATOM 380 CB GLU A 26 -5.774 8.958 -2.833 1.00 74.00 C ATOM 381 CG GLU A 26 -5.124 8.111 -1.738 1.00 25.44 C ATOM 382 CD GLU A 26 -5.303 8.759 -0.364 1.00 4.01 C ATOM 383 OE1 GLU A 26 -4.344 8.827 0.420 1.00 1.30 O ATOM 384 OE2 GLU A 26 -6.489 9.203 -0.120 1.00 40.10 O ATOM 0 H GLU A 26 -4.352 9.164 -4.882 1.00 73.12 H new ATOM 0 HA GLU A 26 -5.583 11.061 -3.115 1.00 55.41 H new ATOM 0 HB2 GLU A 26 -6.770 9.268 -2.515 1.00 74.00 H new ATOM 0 HB3 GLU A 26 -5.899 8.359 -3.735 1.00 74.00 H new ATOM 0 HG2 GLU A 26 -5.565 7.114 -1.734 1.00 25.44 H new ATOM 0 HG3 GLU A 26 -4.062 7.988 -1.951 1.00 25.44 H new ATOM 392 N LEU A 27 -2.673 9.794 -2.390 1.00 74.33 N ATOM 393 CA LEU A 27 -1.539 9.891 -1.487 1.00 65.35 C ATOM 394 C LEU A 27 -0.962 11.306 -1.549 1.00 45.02 C ATOM 395 O LEU A 27 -0.453 11.818 -0.553 1.00 40.23 O ATOM 396 CB LEU A 27 -0.516 8.795 -1.794 1.00 23.54 C ATOM 397 CG LEU A 27 0.419 8.409 -0.644 1.00 54.33 C ATOM 398 CD1 LEU A 27 1.190 9.626 -0.133 1.00 23.42 C ATOM 399 CD2 LEU A 27 -0.352 7.706 0.476 1.00 12.51 C ATOM 0 H LEU A 27 -2.501 9.249 -3.235 1.00 74.33 H new ATOM 0 HA LEU A 27 -1.855 9.721 -0.458 1.00 65.35 H new ATOM 0 HB2 LEU A 27 -1.054 7.903 -2.114 1.00 23.54 H new ATOM 0 HB3 LEU A 27 0.093 9.120 -2.638 1.00 23.54 H new ATOM 0 HG LEU A 27 1.154 7.699 -1.024 1.00 54.33 H new ATOM 0 HD11 LEU A 27 1.846 9.324 0.683 1.00 23.42 H new ATOM 0 HD12 LEU A 27 1.787 10.045 -0.943 1.00 23.42 H new ATOM 0 HD13 LEU A 27 0.487 10.378 0.226 1.00 23.42 H new ATOM 0 HD21 LEU A 27 0.335 7.442 1.280 1.00 12.51 H new ATOM 0 HD22 LEU A 27 -1.123 8.373 0.861 1.00 12.51 H new ATOM 0 HD23 LEU A 27 -0.817 6.801 0.085 1.00 12.51 H new ATOM 411 N ASP A 28 -1.059 11.899 -2.730 1.00 42.34 N ATOM 412 CA ASP A 28 -0.553 13.245 -2.936 1.00 44.32 C ATOM 413 C ASP A 28 -1.312 14.214 -2.029 1.00 74.40 C ATOM 414 O ASP A 28 -0.708 15.071 -1.385 1.00 21.34 O ATOM 415 CB ASP A 28 -0.757 13.694 -4.384 1.00 33.54 C ATOM 416 CG ASP A 28 0.281 14.691 -4.904 1.00 1.43 C ATOM 417 OD1 ASP A 28 1.096 14.364 -5.780 1.00 10.04 O ATOM 418 OD2 ASP A 28 0.232 15.862 -4.365 1.00 70.14 O ATOM 0 H ASP A 28 -1.481 11.471 -3.554 1.00 42.34 H new ATOM 0 HA ASP A 28 0.512 13.244 -2.706 1.00 44.32 H new ATOM 0 HB2 ASP A 28 -0.747 12.814 -5.026 1.00 33.54 H new ATOM 0 HB3 ASP A 28 -1.746 14.143 -4.474 1.00 33.54 H new ATOM 424 N LYS A 29 -2.627 14.048 -2.006 1.00 23.44 N ATOM 425 CA LYS A 29 -3.475 14.898 -1.187 1.00 44.42 C ATOM 426 C LYS A 29 -3.094 14.726 0.285 1.00 43.41 C ATOM 427 O LYS A 29 -3.194 15.667 1.070 1.00 44.42 O ATOM 428 CB LYS A 29 -4.951 14.620 -1.477 1.00 52.53 C ATOM 429 CG LYS A 29 -5.284 14.903 -2.944 1.00 42.30 C ATOM 430 CD LYS A 29 -6.610 14.251 -3.341 1.00 63.41 C ATOM 431 CE LYS A 29 -7.706 15.302 -3.519 1.00 14.32 C ATOM 432 NZ LYS A 29 -8.914 14.929 -2.749 1.00 3.43 N ATOM 0 H LYS A 29 -3.126 13.337 -2.541 1.00 23.44 H new ATOM 0 HA LYS A 29 -3.317 15.947 -1.436 1.00 44.42 H new ATOM 0 HB2 LYS A 29 -5.182 13.581 -1.242 1.00 52.53 H new ATOM 0 HB3 LYS A 29 -5.575 15.239 -0.833 1.00 52.53 H new ATOM 0 HG2 LYS A 29 -5.341 15.979 -3.107 1.00 42.30 H new ATOM 0 HG3 LYS A 29 -4.484 14.526 -3.581 1.00 42.30 H new ATOM 0 HD2 LYS A 29 -6.482 13.694 -4.269 1.00 63.41 H new ATOM 0 HD3 LYS A 29 -6.910 13.534 -2.577 1.00 63.41 H new ATOM 0 HE2 LYS A 29 -7.342 16.275 -3.187 1.00 14.32 H new ATOM 0 HE3 LYS A 29 -7.957 15.399 -4.575 1.00 14.32 H new ATOM 0 HZ1 LYS A 29 -9.648 15.654 -2.882 1.00 3.43 H new ATOM 0 HZ2 LYS A 29 -9.270 14.011 -3.084 1.00 3.43 H new ATOM 0 HZ3 LYS A 29 -8.674 14.860 -1.739 1.00 3.43 H new ATOM 445 N TRP A 30 -2.666 13.515 0.614 1.00 61.31 N ATOM 446 CA TRP A 30 -2.270 13.207 1.978 1.00 51.22 C ATOM 447 C TRP A 30 -1.034 14.045 2.312 1.00 72.35 C ATOM 448 O TRP A 30 -1.084 14.909 3.186 1.00 41.20 O ATOM 449 CB TRP A 30 -2.041 11.706 2.156 1.00 44.21 C ATOM 450 CG TRP A 30 -1.593 11.306 3.563 1.00 73.20 C ATOM 451 CD1 TRP A 30 -2.359 10.950 4.603 1.00 44.21 C ATOM 452 CD2 TRP A 30 -0.234 11.239 4.046 1.00 62.31 C ATOM 453 NE1 TRP A 30 -1.597 10.658 5.716 1.00 45.25 N ATOM 454 CE2 TRP A 30 -0.264 10.839 5.366 1.00 73.34 C ATOM 455 CE3 TRP A 30 0.980 11.506 3.389 1.00 35.20 C ATOM 456 CZ2 TRP A 30 0.889 10.671 6.143 1.00 75.54 C ATOM 457 CZ3 TRP A 30 2.123 11.334 4.179 1.00 72.11 C ATOM 458 CH2 TRP A 30 2.109 10.932 5.510 1.00 1.10 C ATOM 0 H TRP A 30 -2.585 12.737 -0.040 1.00 61.31 H new ATOM 0 HA TRP A 30 -3.065 13.465 2.678 1.00 51.22 H new ATOM 0 HB2 TRP A 30 -2.964 11.177 1.916 1.00 44.21 H new ATOM 0 HB3 TRP A 30 -1.289 11.376 1.439 1.00 44.21 H new ATOM 0 HD1 TRP A 30 -3.437 10.898 4.574 1.00 44.21 H new ATOM 0 HE1 TRP A 30 -1.947 10.364 6.628 1.00 45.25 H new ATOM 0 HE3 TRP A 30 1.027 11.819 2.356 1.00 35.20 H new ATOM 0 HZ2 TRP A 30 0.839 10.357 7.175 1.00 75.54 H new ATOM 0 HZ3 TRP A 30 3.083 11.527 3.723 1.00 72.11 H new ATOM 0 HH2 TRP A 30 3.036 10.822 6.053 1.00 1.10 H new ATOM 469 N ALA A 31 0.045 13.760 1.599 1.00 63.32 N ATOM 470 CA ALA A 31 1.291 14.475 1.809 1.00 15.43 C ATOM 471 C ALA A 31 1.038 15.980 1.685 1.00 60.52 C ATOM 472 O ALA A 31 1.742 16.783 2.294 1.00 14.24 O ATOM 473 CB ALA A 31 2.341 13.978 0.814 1.00 44.43 C ATOM 0 H ALA A 31 0.082 13.043 0.875 1.00 63.32 H new ATOM 0 HA ALA A 31 1.676 14.286 2.811 1.00 15.43 H new ATOM 0 HB1 ALA A 31 3.276 14.516 0.973 1.00 44.43 H new ATOM 0 HB2 ALA A 31 2.506 12.911 0.962 1.00 44.43 H new ATOM 0 HB3 ALA A 31 1.990 14.153 -0.203 1.00 44.43 H new ATOM 479 N SER A 32 0.029 16.314 0.893 1.00 4.13 N ATOM 480 CA SER A 32 -0.326 17.707 0.682 1.00 74.23 C ATOM 481 C SER A 32 -0.513 18.410 2.028 1.00 52.45 C ATOM 482 O SER A 32 -0.237 19.601 2.154 1.00 22.41 O ATOM 483 CB SER A 32 -1.597 17.829 -0.161 1.00 41.51 C ATOM 484 OG SER A 32 -1.589 19.001 -0.972 1.00 2.13 O ATOM 0 H SER A 32 -0.553 15.644 0.390 1.00 4.13 H new ATOM 0 HA SER A 32 0.487 18.188 0.138 1.00 74.23 H new ATOM 0 HB2 SER A 32 -1.696 16.949 -0.796 1.00 41.51 H new ATOM 0 HB3 SER A 32 -2.467 17.848 0.495 1.00 41.51 H new ATOM 0 HG SER A 32 -2.416 19.042 -1.496 1.00 2.13 H new ATOM 490 N LEU A 33 -0.981 17.641 3.001 1.00 61.14 N ATOM 491 CA LEU A 33 -1.208 18.175 4.333 1.00 41.22 C ATOM 492 C LEU A 33 0.066 18.866 4.825 1.00 51.05 C ATOM 493 O LEU A 33 0.005 19.948 5.406 1.00 41.05 O ATOM 494 CB LEU A 33 -1.714 17.077 5.271 1.00 31.13 C ATOM 495 CG LEU A 33 -0.707 15.980 5.623 1.00 20.10 C ATOM 496 CD1 LEU A 33 0.078 16.341 6.886 1.00 4.33 C ATOM 497 CD2 LEU A 33 -1.399 14.621 5.748 1.00 43.01 C ATOM 0 H LEU A 33 -1.209 16.653 2.893 1.00 61.14 H new ATOM 0 HA LEU A 33 -1.993 18.931 4.312 1.00 41.22 H new ATOM 0 HB2 LEU A 33 -2.051 17.544 6.196 1.00 31.13 H new ATOM 0 HB3 LEU A 33 -2.586 16.609 4.814 1.00 31.13 H new ATOM 0 HG LEU A 33 0.012 15.902 4.808 1.00 20.10 H new ATOM 0 HD11 LEU A 33 0.787 15.545 7.114 1.00 4.33 H new ATOM 0 HD12 LEU A 33 0.619 17.273 6.724 1.00 4.33 H new ATOM 0 HD13 LEU A 33 -0.612 16.463 7.721 1.00 4.33 H new ATOM 0 HD21 LEU A 33 -0.661 13.859 5.999 1.00 43.01 H new ATOM 0 HD22 LEU A 33 -2.154 14.668 6.533 1.00 43.01 H new ATOM 0 HD23 LEU A 33 -1.876 14.367 4.801 1.00 43.01 H new ATOM 509 N TRP A 34 1.190 18.211 4.573 1.00 71.31 N ATOM 510 CA TRP A 34 2.476 18.749 4.983 1.00 12.21 C ATOM 511 C TRP A 34 2.699 20.064 4.235 1.00 34.22 C ATOM 512 O TRP A 34 3.237 21.018 4.795 1.00 22.42 O ATOM 513 CB TRP A 34 3.595 17.733 4.750 1.00 44.24 C ATOM 514 CG TRP A 34 3.460 16.456 5.584 1.00 11.33 C ATOM 515 CD1 TRP A 34 2.674 15.397 5.348 1.00 64.21 C ATOM 516 CD2 TRP A 34 4.169 16.147 6.802 1.00 73.24 C ATOM 517 NE1 TRP A 34 2.822 14.431 6.323 1.00 2.25 N ATOM 518 CE2 TRP A 34 3.760 14.902 7.236 1.00 45.54 C ATOM 519 CE3 TRP A 34 5.122 16.894 7.515 1.00 35.51 C ATOM 520 CZ2 TRP A 34 4.253 14.295 8.396 1.00 61.13 C ATOM 521 CZ3 TRP A 34 5.604 16.273 8.674 1.00 35.44 C ATOM 522 CH2 TRP A 34 5.204 15.021 9.123 1.00 61.21 C ATOM 0 H TRP A 34 1.237 17.314 4.091 1.00 71.31 H new ATOM 0 HA TRP A 34 2.485 18.952 6.054 1.00 12.21 H new ATOM 0 HB2 TRP A 34 3.614 17.465 3.694 1.00 44.24 H new ATOM 0 HB3 TRP A 34 4.552 18.203 4.977 1.00 44.24 H new ATOM 0 HD1 TRP A 34 2.009 15.310 4.502 1.00 64.21 H new ATOM 0 HE1 TRP A 34 2.334 13.537 6.366 1.00 2.25 H new ATOM 0 HE3 TRP A 34 5.456 17.870 7.195 1.00 35.51 H new ATOM 0 HZ2 TRP A 34 3.918 13.319 8.714 1.00 61.13 H new ATOM 0 HZ3 TRP A 34 6.339 16.805 9.260 1.00 35.44 H new ATOM 0 HH2 TRP A 34 5.625 14.609 10.029 1.00 61.21 H new ATOM 533 N ASN A 35 2.273 20.074 2.981 1.00 34.11 N ATOM 534 CA ASN A 35 2.418 21.258 2.150 1.00 24.12 C ATOM 535 C ASN A 35 1.076 21.988 2.069 1.00 71.35 C ATOM 536 O ASN A 35 1.016 23.138 1.636 1.00 70.34 O ATOM 537 CB ASN A 35 2.839 20.884 0.728 1.00 4.43 C ATOM 538 CG ASN A 35 4.272 20.347 0.703 1.00 71.10 C ATOM 539 OD1 ASN A 35 5.235 21.082 0.558 1.00 3.21 O ATOM 540 ND2 ASN A 35 4.358 19.029 0.854 1.00 44.31 N ATOM 0 H ASN A 35 1.827 19.281 2.519 1.00 34.11 H new ATOM 0 HA ASN A 35 3.183 21.892 2.598 1.00 24.12 H new ATOM 0 HB2 ASN A 35 2.158 20.132 0.329 1.00 4.43 H new ATOM 0 HB3 ASN A 35 2.763 21.758 0.081 1.00 4.43 H new ATOM 0 HD21 ASN A 35 5.271 18.574 0.853 1.00 44.31 H new ATOM 0 HD22 ASN A 35 3.511 18.473 0.971 1.00 44.31 H new TER 547 ASN A 35