USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=2 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 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=-0.00538 X(o=-0.0054,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) 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= -0.0827 X(o=-0.083,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.693 -5.805 -7.561 1.00 51.51 N ATOM 2 CA GLY A 1 -26.672 -5.640 -6.542 1.00 70.53 C ATOM 3 C GLY A 1 -26.484 -4.164 -6.187 1.00 74.24 C ATOM 4 O GLY A 1 -25.816 -3.427 -6.912 1.00 71.01 O ATOM 0 H1 GLY A 1 -27.801 -6.815 -7.784 1.00 51.51 H new ATOM 0 H2 GLY A 1 -28.597 -5.429 -7.211 1.00 51.51 H new ATOM 0 H3 GLY A 1 -27.413 -5.289 -8.420 1.00 51.51 H new ATOM 0 HA2 GLY A 1 -26.951 -6.200 -5.649 1.00 70.53 H new ATOM 0 HA3 GLY A 1 -25.729 -6.055 -6.897 1.00 70.53 H new ATOM 8 N ILE A 2 -27.086 -3.774 -5.073 1.00 31.54 N ATOM 9 CA ILE A 2 -26.993 -2.398 -4.614 1.00 54.13 C ATOM 10 C ILE A 2 -25.976 -2.312 -3.474 1.00 12.35 C ATOM 11 O ILE A 2 -26.176 -2.900 -2.413 1.00 1.43 O ATOM 12 CB ILE A 2 -28.379 -1.863 -4.243 1.00 21.44 C ATOM 13 CG1 ILE A 2 -29.219 -1.603 -5.495 1.00 62.43 C ATOM 14 CG2 ILE A 2 -28.266 -0.619 -3.359 1.00 43.12 C ATOM 15 CD1 ILE A 2 -30.558 -2.339 -5.420 1.00 33.13 C ATOM 0 H ILE A 2 -27.640 -4.387 -4.475 1.00 31.54 H new ATOM 0 HA ILE A 2 -26.630 -1.753 -5.414 1.00 54.13 H new ATOM 0 HB ILE A 2 -28.897 -2.626 -3.661 1.00 21.44 H new ATOM 0 HG12 ILE A 2 -29.394 -0.533 -5.604 1.00 62.43 H new ATOM 0 HG13 ILE A 2 -28.670 -1.928 -6.379 1.00 62.43 H new ATOM 0 HG21 ILE A 2 -29.264 -0.258 -3.109 1.00 43.12 H new ATOM 0 HG22 ILE A 2 -27.731 -0.871 -2.443 1.00 43.12 H new ATOM 0 HG23 ILE A 2 -27.722 0.159 -3.894 1.00 43.12 H new ATOM 0 HD11 ILE A 2 -31.135 -2.137 -6.322 1.00 33.13 H new ATOM 0 HD12 ILE A 2 -30.380 -3.411 -5.336 1.00 33.13 H new ATOM 0 HD13 ILE A 2 -31.114 -1.994 -4.549 1.00 33.13 H new ATOM 27 N GLY A 3 -24.906 -1.575 -3.734 1.00 62.52 N ATOM 28 CA GLY A 3 -23.857 -1.404 -2.744 1.00 61.31 C ATOM 29 C GLY A 3 -22.530 -1.031 -3.409 1.00 71.35 C ATOM 30 O GLY A 3 -21.488 -1.596 -3.083 1.00 2.13 O ATOM 0 H GLY A 3 -24.743 -1.090 -4.616 1.00 62.52 H new ATOM 0 HA2 GLY A 3 -24.144 -0.627 -2.036 1.00 61.31 H new ATOM 0 HA3 GLY A 3 -23.736 -2.325 -2.174 1.00 61.31 H new ATOM 34 N ALA A 4 -22.614 -0.080 -4.328 1.00 12.45 N ATOM 35 CA ALA A 4 -21.433 0.375 -5.042 1.00 73.41 C ATOM 36 C ALA A 4 -20.510 1.115 -4.071 1.00 11.12 C ATOM 37 O ALA A 4 -19.356 1.393 -4.396 1.00 50.12 O ATOM 38 CB ALA A 4 -21.857 1.250 -6.224 1.00 61.11 C ATOM 0 H ALA A 4 -23.481 0.387 -4.594 1.00 12.45 H new ATOM 0 HA ALA A 4 -20.878 -0.472 -5.445 1.00 73.41 H new ATOM 0 HB1 ALA A 4 -20.971 1.592 -6.760 1.00 61.11 H new ATOM 0 HB2 ALA A 4 -22.488 0.670 -6.898 1.00 61.11 H new ATOM 0 HB3 ALA A 4 -22.414 2.112 -5.857 1.00 61.11 H new ATOM 44 N PHE A 5 -21.052 1.412 -2.899 1.00 13.14 N ATOM 45 CA PHE A 5 -20.290 2.113 -1.880 1.00 61.35 C ATOM 46 C PHE A 5 -19.364 1.154 -1.130 1.00 62.31 C ATOM 47 O PHE A 5 -18.621 1.570 -0.242 1.00 24.12 O ATOM 48 CB PHE A 5 -21.301 2.702 -0.893 1.00 72.51 C ATOM 49 CG PHE A 5 -20.817 3.972 -0.190 1.00 24.13 C ATOM 50 CD1 PHE A 5 -20.596 3.963 1.152 1.00 4.12 C ATOM 51 CD2 PHE A 5 -20.607 5.109 -0.905 1.00 13.34 C ATOM 52 CE1 PHE A 5 -20.146 5.141 1.806 1.00 73.10 C ATOM 53 CE2 PHE A 5 -20.158 6.287 -0.252 1.00 11.11 C ATOM 54 CZ PHE A 5 -19.937 6.278 1.090 1.00 10.20 C ATOM 0 H PHE A 5 -22.009 1.180 -2.633 1.00 13.14 H new ATOM 0 HA PHE A 5 -19.673 2.884 -2.341 1.00 61.35 H new ATOM 0 HB2 PHE A 5 -22.226 2.924 -1.425 1.00 72.51 H new ATOM 0 HB3 PHE A 5 -21.539 1.950 -0.140 1.00 72.51 H new ATOM 0 HD1 PHE A 5 -20.763 3.060 1.721 1.00 4.12 H new ATOM 0 HD2 PHE A 5 -20.782 5.116 -1.971 1.00 13.34 H new ATOM 0 HE1 PHE A 5 -19.970 5.134 2.872 1.00 73.10 H new ATOM 0 HE2 PHE A 5 -19.992 7.190 -0.821 1.00 11.11 H new ATOM 0 HZ PHE A 5 -19.595 7.174 1.587 1.00 10.20 H new ATOM 64 N GLY A 6 -19.437 -0.112 -1.515 1.00 71.43 N ATOM 65 CA GLY A 6 -18.615 -1.133 -0.890 1.00 15.43 C ATOM 66 C GLY A 6 -17.231 -1.196 -1.541 1.00 33.14 C ATOM 67 O GLY A 6 -16.262 -1.611 -0.908 1.00 13.33 O ATOM 0 H GLY A 6 -20.053 -0.453 -2.253 1.00 71.43 H new ATOM 0 HA2 GLY A 6 -18.511 -0.921 0.174 1.00 15.43 H new ATOM 0 HA3 GLY A 6 -19.106 -2.103 -0.975 1.00 15.43 H new ATOM 71 N LEU A 7 -17.183 -0.777 -2.798 1.00 70.22 N ATOM 72 CA LEU A 7 -15.935 -0.780 -3.541 1.00 43.42 C ATOM 73 C LEU A 7 -15.013 0.306 -2.985 1.00 31.22 C ATOM 74 O LEU A 7 -13.791 0.158 -3.004 1.00 63.34 O ATOM 75 CB LEU A 7 -16.204 -0.651 -5.041 1.00 40.01 C ATOM 76 CG LEU A 7 -15.045 -1.026 -5.966 1.00 30.45 C ATOM 77 CD1 LEU A 7 -15.316 -2.355 -6.674 1.00 73.31 C ATOM 78 CD2 LEU A 7 -14.747 0.102 -6.956 1.00 22.15 C ATOM 0 H LEU A 7 -17.989 -0.433 -3.320 1.00 70.22 H new ATOM 0 HA LEU A 7 -15.419 -1.732 -3.415 1.00 43.42 H new ATOM 0 HB2 LEU A 7 -17.060 -1.278 -5.291 1.00 40.01 H new ATOM 0 HB3 LEU A 7 -16.491 0.379 -5.251 1.00 40.01 H new ATOM 0 HG LEU A 7 -14.152 -1.163 -5.357 1.00 30.45 H new ATOM 0 HD11 LEU A 7 -14.477 -2.598 -7.325 1.00 73.31 H new ATOM 0 HD12 LEU A 7 -15.440 -3.144 -5.932 1.00 73.31 H new ATOM 0 HD13 LEU A 7 -16.225 -2.271 -7.270 1.00 73.31 H new ATOM 0 HD21 LEU A 7 -13.919 -0.190 -7.602 1.00 22.15 H new ATOM 0 HD22 LEU A 7 -15.631 0.295 -7.564 1.00 22.15 H new ATOM 0 HD23 LEU A 7 -14.479 1.005 -6.408 1.00 22.15 H new ATOM 90 N LEU A 8 -15.632 1.374 -2.504 1.00 75.21 N ATOM 91 CA LEU A 8 -14.881 2.485 -1.943 1.00 14.00 C ATOM 92 C LEU A 8 -14.208 2.037 -0.645 1.00 54.13 C ATOM 93 O LEU A 8 -13.139 2.532 -0.294 1.00 65.32 O ATOM 94 CB LEU A 8 -15.783 3.711 -1.779 1.00 22.03 C ATOM 95 CG LEU A 8 -15.165 5.055 -2.171 1.00 41.13 C ATOM 96 CD1 LEU A 8 -16.050 6.217 -1.718 1.00 32.43 C ATOM 97 CD2 LEU A 8 -13.736 5.179 -1.637 1.00 52.15 C ATOM 0 H LEU A 8 -16.645 1.494 -2.491 1.00 75.21 H new ATOM 0 HA LEU A 8 -14.086 2.791 -2.623 1.00 14.00 H new ATOM 0 HB2 LEU A 8 -16.682 3.559 -2.376 1.00 22.03 H new ATOM 0 HB3 LEU A 8 -16.099 3.769 -0.737 1.00 22.03 H new ATOM 0 HG LEU A 8 -15.106 5.100 -3.258 1.00 41.13 H new ATOM 0 HD11 LEU A 8 -15.588 7.161 -2.009 1.00 32.43 H new ATOM 0 HD12 LEU A 8 -17.030 6.133 -2.188 1.00 32.43 H new ATOM 0 HD13 LEU A 8 -16.163 6.187 -0.634 1.00 32.43 H new ATOM 0 HD21 LEU A 8 -13.321 6.143 -1.930 1.00 52.15 H new ATOM 0 HD22 LEU A 8 -13.746 5.103 -0.550 1.00 52.15 H new ATOM 0 HD23 LEU A 8 -13.122 4.379 -2.051 1.00 52.15 H new ATOM 109 N GLY A 9 -14.863 1.107 0.033 1.00 44.33 N ATOM 110 CA GLY A 9 -14.341 0.586 1.285 1.00 61.14 C ATOM 111 C GLY A 9 -13.156 -0.349 1.039 1.00 43.34 C ATOM 112 O GLY A 9 -12.253 -0.446 1.869 1.00 71.34 O ATOM 0 H GLY A 9 -15.751 0.700 -0.261 1.00 44.33 H new ATOM 0 HA2 GLY A 9 -14.030 1.412 1.925 1.00 61.14 H new ATOM 0 HA3 GLY A 9 -15.128 0.050 1.816 1.00 61.14 H new ATOM 116 N PHE A 10 -13.197 -1.015 -0.105 1.00 2.33 N ATOM 117 CA PHE A 10 -12.137 -1.940 -0.471 1.00 42.45 C ATOM 118 C PHE A 10 -10.984 -1.208 -1.159 1.00 34.44 C ATOM 119 O PHE A 10 -9.825 -1.592 -1.014 1.00 62.32 O ATOM 120 CB PHE A 10 -12.742 -2.948 -1.451 1.00 63.21 C ATOM 121 CG PHE A 10 -11.826 -3.300 -2.624 1.00 13.43 C ATOM 122 CD1 PHE A 10 -11.975 -2.665 -3.817 1.00 73.30 C ATOM 123 CD2 PHE A 10 -10.865 -4.250 -2.476 1.00 1.55 C ATOM 124 CE1 PHE A 10 -11.126 -2.991 -4.907 1.00 21.00 C ATOM 125 CE2 PHE A 10 -10.015 -4.577 -3.566 1.00 65.25 C ATOM 126 CZ PHE A 10 -10.164 -3.941 -4.758 1.00 15.02 C ATOM 0 H PHE A 10 -13.947 -0.933 -0.791 1.00 2.33 H new ATOM 0 HA PHE A 10 -11.743 -2.426 0.421 1.00 42.45 H new ATOM 0 HB2 PHE A 10 -12.990 -3.861 -0.910 1.00 63.21 H new ATOM 0 HB3 PHE A 10 -13.676 -2.544 -1.841 1.00 63.21 H new ATOM 0 HD1 PHE A 10 -12.740 -1.912 -3.935 1.00 73.30 H new ATOM 0 HD2 PHE A 10 -10.748 -4.756 -1.529 1.00 1.55 H new ATOM 0 HE1 PHE A 10 -11.244 -2.485 -5.854 1.00 21.00 H new ATOM 0 HE2 PHE A 10 -9.251 -5.331 -3.448 1.00 65.25 H new ATOM 0 HZ PHE A 10 -9.518 -4.190 -5.587 1.00 15.02 H new ATOM 136 N LEU A 11 -11.341 -0.165 -1.894 1.00 71.13 N ATOM 137 CA LEU A 11 -10.351 0.626 -2.605 1.00 44.22 C ATOM 138 C LEU A 11 -9.421 1.299 -1.593 1.00 11.21 C ATOM 139 O LEU A 11 -8.218 1.407 -1.827 1.00 4.12 O ATOM 140 CB LEU A 11 -11.033 1.606 -3.561 1.00 22.13 C ATOM 141 CG LEU A 11 -10.103 2.521 -4.359 1.00 32.21 C ATOM 142 CD1 LEU A 11 -9.885 1.981 -5.774 1.00 75.23 C ATOM 143 CD2 LEU A 11 -10.623 3.960 -4.368 1.00 11.21 C ATOM 0 H LEU A 11 -12.304 0.151 -2.013 1.00 71.13 H new ATOM 0 HA LEU A 11 -9.731 -0.014 -3.232 1.00 44.22 H new ATOM 0 HB2 LEU A 11 -11.639 1.035 -4.264 1.00 22.13 H new ATOM 0 HB3 LEU A 11 -11.716 2.229 -2.984 1.00 22.13 H new ATOM 0 HG LEU A 11 -9.131 2.534 -3.866 1.00 32.21 H new ATOM 0 HD11 LEU A 11 -9.220 2.650 -6.320 1.00 75.23 H new ATOM 0 HD12 LEU A 11 -9.437 0.989 -5.720 1.00 75.23 H new ATOM 0 HD13 LEU A 11 -10.842 1.919 -6.291 1.00 75.23 H new ATOM 0 HD21 LEU A 11 -9.943 4.589 -4.942 1.00 11.21 H new ATOM 0 HD22 LEU A 11 -11.613 3.986 -4.823 1.00 11.21 H new ATOM 0 HD23 LEU A 11 -10.684 4.331 -3.345 1.00 11.21 H new ATOM 155 N ALA A 12 -10.013 1.735 -0.491 1.00 72.02 N ATOM 156 CA ALA A 12 -9.253 2.395 0.556 1.00 50.21 C ATOM 157 C ALA A 12 -8.210 1.424 1.113 1.00 41.15 C ATOM 158 O ALA A 12 -7.138 1.841 1.548 1.00 10.15 O ATOM 159 CB ALA A 12 -10.209 2.907 1.636 1.00 43.12 C ATOM 0 H ALA A 12 -11.011 1.644 -0.301 1.00 72.02 H new ATOM 0 HA ALA A 12 -8.720 3.258 0.157 1.00 50.21 H new ATOM 0 HB1 ALA A 12 -9.639 3.402 2.422 1.00 43.12 H new ATOM 0 HB2 ALA A 12 -10.910 3.616 1.195 1.00 43.12 H new ATOM 0 HB3 ALA A 12 -10.760 2.068 2.061 1.00 43.12 H new ATOM 165 N ALA A 13 -8.562 0.147 1.081 1.00 65.32 N ATOM 166 CA ALA A 13 -7.670 -0.887 1.578 1.00 11.22 C ATOM 167 C ALA A 13 -6.453 -0.991 0.657 1.00 72.22 C ATOM 168 O ALA A 13 -5.324 -1.125 1.127 1.00 34.14 O ATOM 169 CB ALA A 13 -8.432 -2.209 1.687 1.00 2.40 C ATOM 0 H ALA A 13 -9.452 -0.195 0.719 1.00 65.32 H new ATOM 0 HA ALA A 13 -7.309 -0.635 2.575 1.00 11.22 H new ATOM 0 HB1 ALA A 13 -7.763 -2.985 2.060 1.00 2.40 H new ATOM 0 HB2 ALA A 13 -9.269 -2.091 2.375 1.00 2.40 H new ATOM 0 HB3 ALA A 13 -8.807 -2.495 0.704 1.00 2.40 H new ATOM 175 N GLY A 14 -6.724 -0.923 -0.639 1.00 22.02 N ATOM 176 CA GLY A 14 -5.664 -1.007 -1.630 1.00 60.22 C ATOM 177 C GLY A 14 -4.738 0.208 -1.545 1.00 15.04 C ATOM 178 O GLY A 14 -3.576 0.136 -1.946 1.00 71.53 O ATOM 0 H GLY A 14 -7.661 -0.811 -1.025 1.00 22.02 H new ATOM 0 HA2 GLY A 14 -5.088 -1.919 -1.476 1.00 60.22 H new ATOM 0 HA3 GLY A 14 -6.098 -1.069 -2.628 1.00 60.22 H new ATOM 182 N SER A 15 -5.285 1.296 -1.024 1.00 45.33 N ATOM 183 CA SER A 15 -4.523 2.524 -0.882 1.00 12.23 C ATOM 184 C SER A 15 -3.487 2.371 0.234 1.00 50.45 C ATOM 185 O SER A 15 -2.500 3.104 0.274 1.00 61.43 O ATOM 186 CB SER A 15 -5.441 3.713 -0.595 1.00 54.22 C ATOM 187 OG SER A 15 -5.699 4.484 -1.766 1.00 62.23 O ATOM 0 H SER A 15 -6.249 1.352 -0.695 1.00 45.33 H new ATOM 0 HA SER A 15 -4.008 2.717 -1.823 1.00 12.23 H new ATOM 0 HB2 SER A 15 -6.384 3.352 -0.184 1.00 54.22 H new ATOM 0 HB3 SER A 15 -4.985 4.348 0.164 1.00 54.22 H new ATOM 0 HG SER A 15 -6.290 5.233 -1.541 1.00 62.23 H new ATOM 193 N LYS A 16 -3.747 1.414 1.112 1.00 54.24 N ATOM 194 CA LYS A 16 -2.851 1.156 2.226 1.00 2.32 C ATOM 195 C LYS A 16 -1.437 0.915 1.691 1.00 65.04 C ATOM 196 O LYS A 16 -0.457 1.108 2.409 1.00 1.30 O ATOM 197 CB LYS A 16 -3.385 0.011 3.090 1.00 33.55 C ATOM 198 CG LYS A 16 -4.726 0.384 3.726 1.00 41.22 C ATOM 199 CD LYS A 16 -4.627 0.382 5.252 1.00 43.13 C ATOM 200 CE LYS A 16 -5.992 0.651 5.890 1.00 61.13 C ATOM 201 NZ LYS A 16 -6.243 -0.296 6.999 1.00 13.15 N ATOM 0 H LYS A 16 -4.566 0.807 1.074 1.00 54.24 H new ATOM 0 HA LYS A 16 -2.801 2.024 2.884 1.00 2.32 H new ATOM 0 HB2 LYS A 16 -3.504 -0.885 2.480 1.00 33.55 H new ATOM 0 HB3 LYS A 16 -2.662 -0.228 3.870 1.00 33.55 H new ATOM 0 HG2 LYS A 16 -5.036 1.370 3.379 1.00 41.22 H new ATOM 0 HG3 LYS A 16 -5.493 -0.322 3.407 1.00 41.22 H new ATOM 0 HD2 LYS A 16 -4.245 -0.580 5.594 1.00 43.13 H new ATOM 0 HD3 LYS A 16 -3.915 1.141 5.575 1.00 43.13 H new ATOM 0 HE2 LYS A 16 -6.030 1.675 6.263 1.00 61.13 H new ATOM 0 HE3 LYS A 16 -6.776 0.556 5.139 1.00 61.13 H new ATOM 0 HZ1 LYS A 16 -7.173 -0.099 7.420 1.00 13.15 H new ATOM 0 HZ2 LYS A 16 -6.227 -1.270 6.634 1.00 13.15 H new ATOM 0 HZ3 LYS A 16 -5.505 -0.186 7.723 1.00 13.15 H new ATOM 214 N LYS A 17 -1.377 0.497 0.435 1.00 72.43 N ATOM 215 CA LYS A 17 -0.100 0.229 -0.203 1.00 41.35 C ATOM 216 C LYS A 17 0.342 1.465 -0.989 1.00 1.44 C ATOM 217 O LYS A 17 0.961 2.370 -0.433 1.00 52.33 O ATOM 218 CB LYS A 17 -0.182 -1.043 -1.051 1.00 64.15 C ATOM 219 CG LYS A 17 0.430 -2.234 -0.312 1.00 23.23 C ATOM 220 CD LYS A 17 0.414 -3.489 -1.187 1.00 44.23 C ATOM 221 CE LYS A 17 1.693 -4.307 -0.996 1.00 4.11 C ATOM 222 NZ LYS A 17 1.965 -5.130 -2.196 1.00 62.02 N ATOM 0 H LYS A 17 -2.192 0.338 -0.157 1.00 72.43 H new ATOM 0 HA LYS A 17 0.668 0.036 0.546 1.00 41.35 H new ATOM 0 HB2 LYS A 17 -1.223 -1.257 -1.293 1.00 64.15 H new ATOM 0 HB3 LYS A 17 0.340 -0.889 -1.995 1.00 64.15 H new ATOM 0 HG2 LYS A 17 1.455 -2.000 -0.024 1.00 23.23 H new ATOM 0 HG3 LYS A 17 -0.125 -2.420 0.607 1.00 23.23 H new ATOM 0 HD2 LYS A 17 -0.453 -4.100 -0.937 1.00 44.23 H new ATOM 0 HD3 LYS A 17 0.313 -3.205 -2.234 1.00 44.23 H new ATOM 0 HE2 LYS A 17 2.534 -3.640 -0.807 1.00 4.11 H new ATOM 0 HE3 LYS A 17 1.594 -4.950 -0.121 1.00 4.11 H new ATOM 0 HZ1 LYS A 17 2.836 -5.679 -2.050 1.00 62.02 H new ATOM 0 HZ2 LYS A 17 1.169 -5.780 -2.359 1.00 62.02 H new ATOM 0 HZ3 LYS A 17 2.081 -4.510 -3.023 1.00 62.02 H new HETATM 235 C1 ACA A 18 2.648 3.057 -7.851 1.00 71.34 C HETATM 236 O1 ACA A 18 2.223 1.982 -7.434 1.00 42.22 O HETATM 237 C2 ACA A 18 3.395 3.562 -6.678 1.00 62.31 C HETATM 238 C3 ACA A 18 2.460 3.729 -5.478 1.00 52.15 C HETATM 239 C4 ACA A 18 2.356 2.430 -4.679 1.00 41.44 C HETATM 240 C5 ACA A 18 1.883 2.702 -3.249 1.00 42.45 C HETATM 241 C6 ACA A 18 0.362 2.571 -3.141 1.00 22.50 C HETATM 242 N6 ACA A 18 0.007 1.461 -2.272 1.00 62.34 N HETATM 0 H62 ACA A 18 -0.062 3.496 -2.750 1.00 22.50 H new HETATM 0 H61 ACA A 18 -0.067 2.417 -4.131 1.00 22.50 H new HETATM 0 H52 ACA A 18 2.362 2.002 -2.564 1.00 42.45 H new HETATM 0 H51 ACA A 18 2.188 3.703 -2.945 1.00 42.45 H new HETATM 0 H42 ACA A 18 1.662 1.750 -5.172 1.00 41.44 H new HETATM 0 H41 ACA A 18 3.326 1.934 -4.657 1.00 41.44 H new HETATM 0 H32 ACA A 18 2.828 4.528 -4.834 1.00 52.15 H new HETATM 0 H31 ACA A 18 1.470 4.028 -5.823 1.00 52.15 H new HETATM 0 H22 ACA A 18 4.199 2.871 -6.426 1.00 62.31 H new HETATM 0 H21 ACA A 18 3.860 4.518 -6.920 1.00 62.31 H new ATOM 254 N LYS A 19 1.896 3.998 -8.403 1.00 40.14 N ATOM 255 CA LYS A 19 0.463 3.816 -8.559 1.00 21.11 C ATOM 256 C LYS A 19 0.185 3.100 -9.882 1.00 63.01 C ATOM 257 O LYS A 19 -0.780 2.343 -9.992 1.00 22.44 O ATOM 258 CB LYS A 19 -0.265 5.154 -8.419 1.00 52.42 C ATOM 259 CG LYS A 19 -0.764 5.360 -6.987 1.00 51.43 C ATOM 260 CD LYS A 19 -1.882 6.403 -6.940 1.00 53.23 C ATOM 261 CE LYS A 19 -3.216 5.798 -7.384 1.00 70.25 C ATOM 262 NZ LYS A 19 -3.865 6.661 -8.396 1.00 24.11 N ATOM 0 HA LYS A 19 0.071 3.181 -7.764 1.00 21.11 H new ATOM 0 HB2 LYS A 19 0.406 5.968 -8.695 1.00 52.42 H new ATOM 0 HB3 LYS A 19 -1.107 5.188 -9.110 1.00 52.42 H new ATOM 0 HG2 LYS A 19 -1.127 4.414 -6.585 1.00 51.43 H new ATOM 0 HG3 LYS A 19 0.063 5.679 -6.353 1.00 51.43 H new ATOM 0 HD2 LYS A 19 -1.976 6.795 -5.927 1.00 53.23 H new ATOM 0 HD3 LYS A 19 -1.627 7.244 -7.585 1.00 53.23 H new ATOM 0 HE2 LYS A 19 -3.051 4.803 -7.798 1.00 70.25 H new ATOM 0 HE3 LYS A 19 -3.873 5.680 -6.523 1.00 70.25 H new ATOM 0 HZ1 LYS A 19 -4.769 6.236 -8.686 1.00 24.11 H new ATOM 0 HZ2 LYS A 19 -4.040 7.602 -7.989 1.00 24.11 H new ATOM 0 HZ3 LYS A 19 -3.243 6.752 -9.225 1.00 24.11 H new ATOM 275 N ASN A 20 1.047 3.363 -10.853 1.00 54.34 N ATOM 276 CA ASN A 20 0.906 2.753 -12.164 1.00 2.31 C ATOM 277 C ASN A 20 2.175 1.964 -12.494 1.00 25.50 C ATOM 278 O ASN A 20 3.285 2.470 -12.332 1.00 12.31 O ATOM 279 CB ASN A 20 0.715 3.816 -13.248 1.00 5.43 C ATOM 280 CG ASN A 20 -0.745 3.881 -13.701 1.00 4.23 C ATOM 281 OD1 ASN A 20 -1.621 4.350 -12.993 1.00 24.41 O ATOM 282 ND2 ASN A 20 -0.957 3.384 -14.916 1.00 55.34 N ATOM 0 H ASN A 20 1.846 3.990 -10.758 1.00 54.34 H new ATOM 0 HA ASN A 20 0.033 2.101 -12.140 1.00 2.31 H new ATOM 0 HB2 ASN A 20 1.025 4.789 -12.867 1.00 5.43 H new ATOM 0 HB3 ASN A 20 1.354 3.590 -14.101 1.00 5.43 H new ATOM 0 HD21 ASN A 20 -1.899 3.380 -15.308 1.00 55.34 H new ATOM 0 HD22 ASN A 20 -0.178 3.007 -15.456 1.00 55.34 H new ATOM 289 N GLU A 21 1.969 0.737 -12.948 1.00 12.23 N ATOM 290 CA GLU A 21 3.083 -0.127 -13.302 1.00 3.01 C ATOM 291 C GLU A 21 3.854 0.459 -14.487 1.00 71.41 C ATOM 292 O GLU A 21 5.082 0.407 -14.518 1.00 10.44 O ATOM 293 CB GLU A 21 2.600 -1.546 -13.610 1.00 74.42 C ATOM 294 CG GLU A 21 1.547 -1.999 -12.596 1.00 12.25 C ATOM 295 CD GLU A 21 0.173 -2.133 -13.255 1.00 13.30 C ATOM 296 OE1 GLU A 21 0.071 -2.651 -14.378 1.00 21.34 O ATOM 297 OE2 GLU A 21 -0.812 -1.677 -12.558 1.00 54.04 O ATOM 0 H GLU A 21 1.047 0.320 -13.079 1.00 12.23 H new ATOM 0 HA GLU A 21 3.758 -0.185 -12.448 1.00 3.01 H new ATOM 0 HB2 GLU A 21 2.181 -1.581 -14.615 1.00 74.42 H new ATOM 0 HB3 GLU A 21 3.446 -2.234 -13.593 1.00 74.42 H new ATOM 0 HG2 GLU A 21 1.841 -2.955 -12.163 1.00 12.25 H new ATOM 0 HG3 GLU A 21 1.493 -1.282 -11.777 1.00 12.25 H new ATOM 305 N GLN A 22 3.101 1.004 -15.431 1.00 10.54 N ATOM 306 CA GLN A 22 3.698 1.599 -16.614 1.00 12.04 C ATOM 307 C GLN A 22 4.585 2.782 -16.222 1.00 15.24 C ATOM 308 O GLN A 22 5.728 2.881 -16.670 1.00 53.14 O ATOM 309 CB GLN A 22 2.623 2.028 -17.614 1.00 1.44 C ATOM 310 CG GLN A 22 2.964 1.545 -19.026 1.00 11.04 C ATOM 311 CD GLN A 22 1.762 1.690 -19.961 1.00 42.14 C ATOM 312 OE1 GLN A 22 0.682 2.099 -19.566 1.00 44.42 O ATOM 313 NE2 GLN A 22 2.008 1.332 -21.218 1.00 52.25 N ATOM 0 H GLN A 22 2.082 1.046 -15.400 1.00 10.54 H new ATOM 0 HA GLN A 22 4.321 0.848 -17.100 1.00 12.04 H new ATOM 0 HB2 GLN A 22 1.657 1.624 -17.311 1.00 1.44 H new ATOM 0 HB3 GLN A 22 2.530 3.114 -17.610 1.00 1.44 H new ATOM 0 HG2 GLN A 22 3.805 2.118 -19.417 1.00 11.04 H new ATOM 0 HG3 GLN A 22 3.278 0.502 -18.991 1.00 11.04 H new ATOM 0 HE21 GLN A 22 2.935 0.998 -21.481 1.00 52.25 H new ATOM 0 HE22 GLN A 22 1.269 1.391 -21.919 1.00 52.25 H new ATOM 322 N GLU A 23 4.027 3.650 -15.391 1.00 0.01 N ATOM 323 CA GLU A 23 4.754 4.822 -14.934 1.00 42.24 C ATOM 324 C GLU A 23 6.096 4.411 -14.324 1.00 71.14 C ATOM 325 O GLU A 23 7.065 5.166 -14.381 1.00 31.40 O ATOM 326 CB GLU A 23 3.921 5.628 -13.936 1.00 23.21 C ATOM 327 CG GLU A 23 4.567 5.617 -12.548 1.00 71.31 C ATOM 328 CD GLU A 23 3.670 6.310 -11.520 1.00 32.31 C ATOM 329 OE1 GLU A 23 2.917 7.230 -11.875 1.00 1.24 O ATOM 330 OE2 GLU A 23 3.775 5.862 -10.315 1.00 35.33 O ATOM 0 H GLU A 23 3.080 3.565 -15.022 1.00 0.01 H new ATOM 0 HA GLU A 23 4.950 5.462 -15.794 1.00 42.24 H new ATOM 0 HB2 GLU A 23 3.821 6.655 -14.286 1.00 23.21 H new ATOM 0 HB3 GLU A 23 2.915 5.212 -13.876 1.00 23.21 H new ATOM 0 HG2 GLU A 23 4.754 4.589 -12.238 1.00 71.31 H new ATOM 0 HG3 GLU A 23 5.534 6.119 -12.589 1.00 71.31 H new ATOM 338 N LEU A 24 6.108 3.215 -13.755 1.00 5.03 N ATOM 339 CA LEU A 24 7.315 2.694 -13.134 1.00 35.02 C ATOM 340 C LEU A 24 8.298 2.262 -14.224 1.00 51.04 C ATOM 341 O LEU A 24 9.467 2.642 -14.198 1.00 63.24 O ATOM 342 CB LEU A 24 6.970 1.583 -12.141 1.00 65.31 C ATOM 343 CG LEU A 24 7.466 1.787 -10.707 1.00 12.32 C ATOM 344 CD1 LEU A 24 8.985 1.964 -10.673 1.00 74.24 C ATOM 345 CD2 LEU A 24 6.737 2.953 -10.036 1.00 52.42 C ATOM 0 H LEU A 24 5.302 2.592 -13.711 1.00 5.03 H new ATOM 0 HA LEU A 24 7.808 3.470 -12.549 1.00 35.02 H new ATOM 0 HB2 LEU A 24 5.886 1.468 -12.117 1.00 65.31 H new ATOM 0 HB3 LEU A 24 7.381 0.646 -12.517 1.00 65.31 H new ATOM 0 HG LEU A 24 7.234 0.890 -10.133 1.00 12.32 H new ATOM 0 HD11 LEU A 24 9.312 2.107 -9.643 1.00 74.24 H new ATOM 0 HD12 LEU A 24 9.464 1.076 -11.086 1.00 74.24 H new ATOM 0 HD13 LEU A 24 9.263 2.835 -11.266 1.00 74.24 H new ATOM 0 HD21 LEU A 24 7.108 3.077 -9.018 1.00 52.42 H new ATOM 0 HD22 LEU A 24 6.916 3.868 -10.601 1.00 52.42 H new ATOM 0 HD23 LEU A 24 5.667 2.746 -10.010 1.00 52.42 H new ATOM 357 N LEU A 25 7.786 1.473 -15.158 1.00 2.33 N ATOM 358 CA LEU A 25 8.604 0.985 -16.255 1.00 43.32 C ATOM 359 C LEU A 25 9.233 2.173 -16.985 1.00 60.13 C ATOM 360 O LEU A 25 10.351 2.076 -17.488 1.00 12.21 O ATOM 361 CB LEU A 25 7.787 0.066 -17.166 1.00 41.04 C ATOM 362 CG LEU A 25 8.336 -0.141 -18.579 1.00 64.42 C ATOM 363 CD1 LEU A 25 9.726 -0.780 -18.537 1.00 32.15 C ATOM 364 CD2 LEU A 25 7.359 -0.948 -19.434 1.00 3.41 C ATOM 0 H LEU A 25 6.815 1.160 -15.177 1.00 2.33 H new ATOM 0 HA LEU A 25 9.423 0.374 -15.876 1.00 43.32 H new ATOM 0 HB2 LEU A 25 7.703 -0.908 -16.684 1.00 41.04 H new ATOM 0 HB3 LEU A 25 6.778 0.470 -17.246 1.00 41.04 H new ATOM 0 HG LEU A 25 8.444 0.835 -19.051 1.00 64.42 H new ATOM 0 HD11 LEU A 25 10.094 -0.917 -19.554 1.00 32.15 H new ATOM 0 HD12 LEU A 25 10.408 -0.131 -17.988 1.00 32.15 H new ATOM 0 HD13 LEU A 25 9.667 -1.748 -18.039 1.00 32.15 H new ATOM 0 HD21 LEU A 25 7.774 -1.081 -20.433 1.00 3.41 H new ATOM 0 HD22 LEU A 25 7.195 -1.924 -18.977 1.00 3.41 H new ATOM 0 HD23 LEU A 25 6.410 -0.416 -19.503 1.00 3.41 H new ATOM 376 N GLU A 26 8.487 3.267 -17.019 1.00 73.11 N ATOM 377 CA GLU A 26 8.957 4.473 -17.679 1.00 35.12 C ATOM 378 C GLU A 26 10.163 5.050 -16.935 1.00 21.01 C ATOM 379 O GLU A 26 11.081 5.586 -17.554 1.00 31.12 O ATOM 380 CB GLU A 26 7.836 5.508 -17.794 1.00 22.22 C ATOM 381 CG GLU A 26 6.982 5.256 -19.038 1.00 45.24 C ATOM 382 CD GLU A 26 7.775 5.536 -20.314 1.00 12.14 C ATOM 383 OE1 GLU A 26 8.994 5.755 -20.252 1.00 72.51 O ATOM 384 OE2 GLU A 26 7.082 5.518 -21.403 1.00 64.44 O ATOM 0 H GLU A 26 7.560 3.344 -16.600 1.00 73.11 H new ATOM 0 HA GLU A 26 9.270 4.212 -18.690 1.00 35.12 H new ATOM 0 HB2 GLU A 26 7.208 5.470 -16.904 1.00 22.22 H new ATOM 0 HB3 GLU A 26 8.264 6.509 -17.839 1.00 22.22 H new ATOM 0 HG2 GLU A 26 6.634 4.223 -19.041 1.00 45.24 H new ATOM 0 HG3 GLU A 26 6.096 5.890 -19.010 1.00 45.24 H new ATOM 392 N LEU A 27 10.121 4.922 -15.617 1.00 40.53 N ATOM 393 CA LEU A 27 11.198 5.423 -14.781 1.00 31.43 C ATOM 394 C LEU A 27 12.361 4.428 -14.803 1.00 71.44 C ATOM 395 O LEU A 27 13.518 4.817 -14.654 1.00 61.11 O ATOM 396 CB LEU A 27 10.684 5.737 -13.375 1.00 32.01 C ATOM 397 CG LEU A 27 11.019 7.129 -12.834 1.00 44.03 C ATOM 398 CD1 LEU A 27 12.533 7.332 -12.745 1.00 71.43 C ATOM 399 CD2 LEU A 27 10.342 8.219 -13.666 1.00 50.41 C ATOM 0 H LEU A 27 9.357 4.478 -15.107 1.00 40.53 H new ATOM 0 HA LEU A 27 11.577 6.366 -15.174 1.00 31.43 H new ATOM 0 HB2 LEU A 27 9.600 5.618 -13.371 1.00 32.01 H new ATOM 0 HB3 LEU A 27 11.089 4.994 -12.687 1.00 32.01 H new ATOM 0 HG LEU A 27 10.623 7.206 -11.821 1.00 44.03 H new ATOM 0 HD11 LEU A 27 12.744 8.329 -12.358 1.00 71.43 H new ATOM 0 HD12 LEU A 27 12.962 6.585 -12.077 1.00 71.43 H new ATOM 0 HD13 LEU A 27 12.973 7.227 -13.737 1.00 71.43 H new ATOM 0 HD21 LEU A 27 10.597 9.198 -13.260 1.00 50.41 H new ATOM 0 HD22 LEU A 27 10.685 8.154 -14.699 1.00 50.41 H new ATOM 0 HD23 LEU A 27 9.261 8.083 -13.633 1.00 50.41 H new ATOM 411 N ASP A 28 12.012 3.164 -14.990 1.00 31.00 N ATOM 412 CA ASP A 28 13.011 2.110 -15.034 1.00 23.52 C ATOM 413 C ASP A 28 13.898 2.304 -16.266 1.00 61.14 C ATOM 414 O ASP A 28 15.119 2.394 -16.148 1.00 34.44 O ATOM 415 CB ASP A 28 12.355 0.732 -15.135 1.00 71.41 C ATOM 416 CG ASP A 28 13.091 -0.390 -14.398 1.00 55.04 C ATOM 417 OD1 ASP A 28 14.306 -0.571 -14.560 1.00 31.00 O ATOM 418 OD2 ASP A 28 12.351 -1.106 -13.620 1.00 33.12 O ATOM 0 H ASP A 28 11.051 2.846 -15.113 1.00 31.00 H new ATOM 0 HA ASP A 28 13.597 2.163 -14.116 1.00 23.52 H new ATOM 0 HB2 ASP A 28 11.340 0.800 -14.743 1.00 71.41 H new ATOM 0 HB3 ASP A 28 12.272 0.462 -16.188 1.00 71.41 H new ATOM 424 N LYS A 29 13.248 2.363 -17.419 1.00 22.41 N ATOM 425 CA LYS A 29 13.962 2.545 -18.672 1.00 62.11 C ATOM 426 C LYS A 29 14.780 3.836 -18.605 1.00 63.11 C ATOM 427 O LYS A 29 15.891 3.898 -19.128 1.00 22.24 O ATOM 428 CB LYS A 29 12.991 2.492 -19.853 1.00 21.44 C ATOM 429 CG LYS A 29 11.924 3.583 -19.736 1.00 2.03 C ATOM 430 CD LYS A 29 12.424 4.904 -20.324 1.00 51.44 C ATOM 431 CE LYS A 29 11.787 5.171 -21.690 1.00 44.43 C ATOM 432 NZ LYS A 29 12.828 5.260 -22.739 1.00 40.22 N ATOM 0 H LYS A 29 12.235 2.288 -17.512 1.00 22.41 H new ATOM 0 HA LYS A 29 14.667 1.729 -18.832 1.00 62.11 H new ATOM 0 HB2 LYS A 29 13.541 2.615 -20.786 1.00 21.44 H new ATOM 0 HB3 LYS A 29 12.513 1.513 -19.891 1.00 21.44 H new ATOM 0 HG2 LYS A 29 11.019 3.269 -20.256 1.00 2.03 H new ATOM 0 HG3 LYS A 29 11.657 3.725 -18.689 1.00 2.03 H new ATOM 0 HD2 LYS A 29 12.189 5.722 -19.643 1.00 51.44 H new ATOM 0 HD3 LYS A 29 13.509 4.874 -20.424 1.00 51.44 H new ATOM 0 HE2 LYS A 29 11.085 4.373 -21.933 1.00 44.43 H new ATOM 0 HE3 LYS A 29 11.216 6.099 -21.656 1.00 44.43 H new ATOM 0 HZ1 LYS A 29 12.379 5.441 -23.659 1.00 40.22 H new ATOM 0 HZ2 LYS A 29 13.482 6.037 -22.514 1.00 40.22 H new ATOM 0 HZ3 LYS A 29 13.355 4.365 -22.782 1.00 40.22 H new ATOM 445 N TRP A 30 14.199 4.834 -17.956 1.00 21.33 N ATOM 446 CA TRP A 30 14.861 6.120 -17.814 1.00 44.20 C ATOM 447 C TRP A 30 16.155 5.901 -17.028 1.00 33.34 C ATOM 448 O TRP A 30 17.248 6.101 -17.558 1.00 64.44 O ATOM 449 CB TRP A 30 13.933 7.146 -17.161 1.00 52.44 C ATOM 450 CG TRP A 30 14.572 8.520 -16.951 1.00 15.52 C ATOM 451 CD1 TRP A 30 14.560 9.571 -17.784 1.00 42.54 C ATOM 452 CD2 TRP A 30 15.322 8.953 -15.798 1.00 41.23 C ATOM 453 NE1 TRP A 30 15.245 10.644 -17.253 1.00 1.13 N ATOM 454 CE2 TRP A 30 15.723 10.256 -16.006 1.00 10.02 C ATOM 455 CE3 TRP A 30 15.651 8.265 -14.616 1.00 14.44 C ATOM 456 CZ2 TRP A 30 16.475 10.985 -15.077 1.00 51.42 C ATOM 457 CZ3 TRP A 30 16.403 9.007 -13.698 1.00 74.35 C ATOM 458 CH2 TRP A 30 16.814 10.320 -13.893 1.00 32.33 C ATOM 0 H TRP A 30 13.277 4.778 -17.523 1.00 21.33 H new ATOM 0 HA TRP A 30 15.112 6.534 -18.791 1.00 44.20 H new ATOM 0 HB2 TRP A 30 13.043 7.262 -17.780 1.00 52.44 H new ATOM 0 HB3 TRP A 30 13.602 6.760 -16.197 1.00 52.44 H new ATOM 0 HD1 TRP A 30 14.075 9.577 -18.749 1.00 42.54 H new ATOM 0 HE1 TRP A 30 15.377 11.554 -17.694 1.00 1.13 H new ATOM 0 HE3 TRP A 30 15.347 7.245 -14.432 1.00 14.44 H new ATOM 0 HZ2 TRP A 30 16.777 12.005 -15.264 1.00 51.42 H new ATOM 0 HZ3 TRP A 30 16.684 8.525 -12.773 1.00 74.35 H new ATOM 0 HH2 TRP A 30 17.393 10.825 -13.134 1.00 32.33 H new ATOM 469 N ALA A 31 15.990 5.492 -15.778 1.00 14.24 N ATOM 470 CA ALA A 31 17.132 5.244 -14.915 1.00 32.22 C ATOM 471 C ALA A 31 18.082 4.261 -15.603 1.00 33.33 C ATOM 472 O ALA A 31 19.287 4.283 -15.359 1.00 24.31 O ATOM 473 CB ALA A 31 16.645 4.731 -13.559 1.00 4.05 C ATOM 0 H ALA A 31 15.083 5.326 -15.343 1.00 14.24 H new ATOM 0 HA ALA A 31 17.685 6.166 -14.736 1.00 32.22 H new ATOM 0 HB1 ALA A 31 17.502 4.545 -12.911 1.00 4.05 H new ATOM 0 HB2 ALA A 31 15.998 5.477 -13.099 1.00 4.05 H new ATOM 0 HB3 ALA A 31 16.088 3.805 -13.699 1.00 4.05 H new ATOM 479 N SER A 32 17.504 3.423 -16.450 1.00 52.53 N ATOM 480 CA SER A 32 18.283 2.434 -17.175 1.00 52.41 C ATOM 481 C SER A 32 19.455 3.111 -17.888 1.00 53.25 C ATOM 482 O SER A 32 20.518 2.515 -18.048 1.00 3.23 O ATOM 483 CB SER A 32 17.414 1.677 -18.182 1.00 34.11 C ATOM 484 OG SER A 32 17.913 0.367 -18.439 1.00 74.32 O ATOM 0 H SER A 32 16.504 3.408 -16.651 1.00 52.53 H new ATOM 0 HA SER A 32 18.671 1.712 -16.457 1.00 52.41 H new ATOM 0 HB2 SER A 32 16.395 1.609 -17.802 1.00 34.11 H new ATOM 0 HB3 SER A 32 17.369 2.238 -19.116 1.00 34.11 H new ATOM 0 HG SER A 32 17.330 -0.084 -19.085 1.00 74.32 H new ATOM 490 N LEU A 33 19.220 4.350 -18.298 1.00 13.30 N ATOM 491 CA LEU A 33 20.243 5.115 -18.991 1.00 41.53 C ATOM 492 C LEU A 33 21.528 5.109 -18.160 1.00 53.12 C ATOM 493 O LEU A 33 22.617 4.920 -18.699 1.00 65.12 O ATOM 494 CB LEU A 33 19.730 6.518 -19.321 1.00 74.14 C ATOM 495 CG LEU A 33 19.504 7.448 -18.128 1.00 24.53 C ATOM 496 CD1 LEU A 33 20.765 8.260 -17.820 1.00 50.21 C ATOM 497 CD2 LEU A 33 18.286 8.346 -18.354 1.00 24.50 C ATOM 0 H LEU A 33 18.337 4.842 -18.163 1.00 13.30 H new ATOM 0 HA LEU A 33 20.481 4.654 -19.950 1.00 41.53 H new ATOM 0 HB2 LEU A 33 20.441 6.993 -19.997 1.00 74.14 H new ATOM 0 HB3 LEU A 33 18.790 6.421 -19.864 1.00 74.14 H new ATOM 0 HG LEU A 33 19.293 6.834 -17.252 1.00 24.53 H new ATOM 0 HD11 LEU A 33 20.578 8.913 -16.968 1.00 50.21 H new ATOM 0 HD12 LEU A 33 21.586 7.582 -17.585 1.00 50.21 H new ATOM 0 HD13 LEU A 33 21.030 8.863 -18.688 1.00 50.21 H new ATOM 0 HD21 LEU A 33 18.149 8.997 -17.490 1.00 24.50 H new ATOM 0 HD22 LEU A 33 18.442 8.954 -19.245 1.00 24.50 H new ATOM 0 HD23 LEU A 33 17.398 7.728 -18.488 1.00 24.50 H new ATOM 509 N TRP A 34 21.357 5.319 -16.863 1.00 75.41 N ATOM 510 CA TRP A 34 22.489 5.342 -15.953 1.00 11.34 C ATOM 511 C TRP A 34 23.250 4.024 -16.113 1.00 44.51 C ATOM 512 O TRP A 34 24.446 4.023 -16.400 1.00 64.41 O ATOM 513 CB TRP A 34 22.034 5.598 -14.516 1.00 55.14 C ATOM 514 CG TRP A 34 21.442 6.991 -14.291 1.00 31.30 C ATOM 515 CD1 TRP A 34 20.246 7.453 -14.681 1.00 61.45 C ATOM 516 CD2 TRP A 34 22.073 8.092 -13.602 1.00 71.43 C ATOM 517 NE1 TRP A 34 20.060 8.765 -14.295 1.00 72.24 N ATOM 518 CE2 TRP A 34 21.207 9.166 -13.619 1.00 44.15 C ATOM 519 CE3 TRP A 34 23.333 8.177 -12.985 1.00 25.23 C ATOM 520 CZ2 TRP A 34 21.507 10.403 -13.034 1.00 12.41 C ATOM 521 CZ3 TRP A 34 23.618 9.419 -12.406 1.00 31.13 C ATOM 522 CH2 TRP A 34 22.757 10.510 -12.414 1.00 31.02 C ATOM 0 H TRP A 34 20.451 5.475 -16.421 1.00 75.41 H new ATOM 0 HA TRP A 34 23.161 6.165 -16.195 1.00 11.34 H new ATOM 0 HB2 TRP A 34 21.290 4.850 -14.242 1.00 55.14 H new ATOM 0 HB3 TRP A 34 22.884 5.463 -13.847 1.00 55.14 H new ATOM 0 HD1 TRP A 34 19.519 6.872 -15.229 1.00 61.45 H new ATOM 0 HE1 TRP A 34 19.233 9.335 -14.473 1.00 72.24 H new ATOM 0 HE3 TRP A 34 24.026 7.349 -12.960 1.00 25.23 H new ATOM 0 HZ2 TRP A 34 20.812 11.229 -13.060 1.00 12.41 H new ATOM 0 HZ3 TRP A 34 24.574 9.538 -11.919 1.00 31.13 H new ATOM 0 HH2 TRP A 34 23.051 11.437 -11.944 1.00 31.02 H new ATOM 533 N ASN A 35 22.524 2.932 -15.920 1.00 14.52 N ATOM 534 CA ASN A 35 23.115 1.610 -16.039 1.00 40.21 C ATOM 535 C ASN A 35 23.051 1.157 -17.499 1.00 3.42 C ATOM 536 O ASN A 35 22.536 0.080 -17.796 1.00 0.33 O ATOM 537 CB ASN A 35 22.352 0.588 -15.193 1.00 4.34 C ATOM 538 CG ASN A 35 21.865 1.213 -13.885 1.00 20.44 C ATOM 539 OD1 ASN A 35 22.618 1.419 -12.947 1.00 24.31 O ATOM 540 ND2 ASN A 35 20.567 1.503 -13.874 1.00 24.01 N ATOM 0 H ASN A 35 21.532 2.936 -15.682 1.00 14.52 H new ATOM 0 HA ASN A 35 24.146 1.669 -15.691 1.00 40.21 H new ATOM 0 HB2 ASN A 35 21.501 0.207 -15.757 1.00 4.34 H new ATOM 0 HB3 ASN A 35 22.997 -0.263 -14.975 1.00 4.34 H new ATOM 0 HD21 ASN A 35 20.145 1.924 -13.046 1.00 24.01 H new ATOM 0 HD22 ASN A 35 19.993 1.305 -14.694 1.00 24.01 H new TER 547 ASN A 35