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 -67:sc= 1.09 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+ -171:sc= 0 (180deg=-0.0187) USER MOD Single : A 20 ASN : amide:sc= -0.996 K(o=-1,f=-2.3) 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 86:sc= 0.113 USER MOD Single : A 35 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.890 -3.046 -5.064 1.00 53.45 N ATOM 2 CA GLY A 1 -29.611 -3.660 -4.754 1.00 12.42 C ATOM 3 C GLY A 1 -28.465 -2.665 -4.945 1.00 22.35 C ATOM 4 O GLY A 1 -27.540 -2.918 -5.715 1.00 0.43 O ATOM 0 H1 GLY A 1 -31.651 -3.741 -4.927 1.00 53.45 H new ATOM 0 H2 GLY A 1 -31.046 -2.233 -4.435 1.00 53.45 H new ATOM 0 H3 GLY A 1 -30.890 -2.724 -6.053 1.00 53.45 H new ATOM 0 HA2 GLY A 1 -29.617 -4.021 -3.725 1.00 12.42 H new ATOM 0 HA3 GLY A 1 -29.455 -4.527 -5.395 1.00 12.42 H new ATOM 8 N ILE A 2 -28.563 -1.555 -4.229 1.00 72.35 N ATOM 9 CA ILE A 2 -27.545 -0.521 -4.309 1.00 53.33 C ATOM 10 C ILE A 2 -26.609 -0.638 -3.104 1.00 42.33 C ATOM 11 O ILE A 2 -27.054 -0.562 -1.960 1.00 20.55 O ATOM 12 CB ILE A 2 -28.193 0.858 -4.454 1.00 30.53 C ATOM 13 CG1 ILE A 2 -28.985 0.958 -5.759 1.00 70.22 C ATOM 14 CG2 ILE A 2 -27.149 1.970 -4.330 1.00 30.41 C ATOM 15 CD1 ILE A 2 -28.055 1.219 -6.945 1.00 1.31 C ATOM 0 H ILE A 2 -29.331 -1.349 -3.591 1.00 72.35 H new ATOM 0 HA ILE A 2 -26.934 -0.656 -5.201 1.00 53.33 H new ATOM 0 HB ILE A 2 -28.902 0.989 -3.637 1.00 30.53 H new ATOM 0 HG12 ILE A 2 -29.540 0.034 -5.924 1.00 70.22 H new ATOM 0 HG13 ILE A 2 -29.718 1.761 -5.683 1.00 70.22 H new ATOM 0 HG21 ILE A 2 -27.636 2.939 -4.437 1.00 30.41 H new ATOM 0 HG22 ILE A 2 -26.669 1.911 -3.353 1.00 30.41 H new ATOM 0 HG23 ILE A 2 -26.398 1.853 -5.111 1.00 30.41 H new ATOM 0 HD11 ILE A 2 -28.643 1.286 -7.860 1.00 1.31 H new ATOM 0 HD12 ILE A 2 -27.520 2.155 -6.788 1.00 1.31 H new ATOM 0 HD13 ILE A 2 -27.339 0.402 -7.032 1.00 1.31 H new ATOM 27 N GLY A 3 -25.332 -0.820 -3.403 1.00 23.34 N ATOM 28 CA GLY A 3 -24.330 -0.948 -2.359 1.00 2.35 C ATOM 29 C GLY A 3 -22.918 -0.845 -2.938 1.00 20.15 C ATOM 30 O GLY A 3 -22.032 -1.612 -2.564 1.00 22.32 O ATOM 0 H GLY A 3 -24.968 -0.882 -4.354 1.00 23.34 H new ATOM 0 HA2 GLY A 3 -24.478 -0.169 -1.611 1.00 2.35 H new ATOM 0 HA3 GLY A 3 -24.449 -1.905 -1.851 1.00 2.35 H new ATOM 34 N ALA A 4 -22.752 0.108 -3.843 1.00 32.44 N ATOM 35 CA ALA A 4 -21.462 0.322 -4.477 1.00 51.53 C ATOM 36 C ALA A 4 -20.526 1.027 -3.496 1.00 75.31 C ATOM 37 O ALA A 4 -19.353 1.245 -3.797 1.00 5.42 O ATOM 38 CB ALA A 4 -21.656 1.115 -5.772 1.00 32.44 C ATOM 0 H ALA A 4 -23.490 0.741 -4.153 1.00 32.44 H new ATOM 0 HA ALA A 4 -21.002 -0.630 -4.743 1.00 51.53 H new ATOM 0 HB1 ALA A 4 -20.689 1.276 -6.248 1.00 32.44 H new ATOM 0 HB2 ALA A 4 -22.304 0.556 -6.447 1.00 32.44 H new ATOM 0 HB3 ALA A 4 -22.113 2.078 -5.544 1.00 32.44 H new ATOM 44 N PHE A 5 -21.078 1.367 -2.340 1.00 23.23 N ATOM 45 CA PHE A 5 -20.307 2.044 -1.312 1.00 62.40 C ATOM 46 C PHE A 5 -19.242 1.114 -0.724 1.00 72.55 C ATOM 47 O PHE A 5 -18.322 1.570 -0.046 1.00 2.34 O ATOM 48 CB PHE A 5 -21.287 2.441 -0.206 1.00 33.54 C ATOM 49 CG PHE A 5 -21.979 3.785 -0.441 1.00 14.11 C ATOM 50 CD1 PHE A 5 -22.679 3.997 -1.588 1.00 75.41 C ATOM 51 CD2 PHE A 5 -21.893 4.768 0.495 1.00 45.53 C ATOM 52 CE1 PHE A 5 -23.322 5.245 -1.807 1.00 31.42 C ATOM 53 CE2 PHE A 5 -22.536 6.015 0.276 1.00 72.50 C ATOM 54 CZ PHE A 5 -23.236 6.227 -0.870 1.00 72.02 C ATOM 0 H PHE A 5 -22.051 1.186 -2.093 1.00 23.23 H new ATOM 0 HA PHE A 5 -19.800 2.911 -1.737 1.00 62.40 H new ATOM 0 HB2 PHE A 5 -22.046 1.665 -0.112 1.00 33.54 H new ATOM 0 HB3 PHE A 5 -20.752 2.481 0.743 1.00 33.54 H new ATOM 0 HD1 PHE A 5 -22.746 3.217 -2.332 1.00 75.41 H new ATOM 0 HD2 PHE A 5 -21.336 4.600 1.405 1.00 45.53 H new ATOM 0 HE1 PHE A 5 -23.879 5.414 -2.717 1.00 31.42 H new ATOM 0 HE2 PHE A 5 -22.469 6.795 1.020 1.00 72.50 H new ATOM 0 HZ PHE A 5 -23.724 7.176 -1.036 1.00 72.02 H new ATOM 64 N GLY A 6 -19.404 -0.170 -1.005 1.00 22.24 N ATOM 65 CA GLY A 6 -18.469 -1.166 -0.512 1.00 25.11 C ATOM 66 C GLY A 6 -17.180 -1.164 -1.337 1.00 60.02 C ATOM 67 O GLY A 6 -16.083 -1.225 -0.783 1.00 42.13 O ATOM 0 H GLY A 6 -20.168 -0.543 -1.568 1.00 22.24 H new ATOM 0 HA2 GLY A 6 -18.236 -0.965 0.534 1.00 25.11 H new ATOM 0 HA3 GLY A 6 -18.929 -2.153 -0.552 1.00 25.11 H new ATOM 71 N LEU A 7 -17.355 -1.093 -2.648 1.00 4.33 N ATOM 72 CA LEU A 7 -16.219 -1.082 -3.555 1.00 5.03 C ATOM 73 C LEU A 7 -15.318 0.108 -3.222 1.00 34.32 C ATOM 74 O LEU A 7 -14.094 -0.018 -3.213 1.00 42.32 O ATOM 75 CB LEU A 7 -16.695 -1.106 -5.009 1.00 31.34 C ATOM 76 CG LEU A 7 -15.938 -2.049 -5.947 1.00 24.02 C ATOM 77 CD1 LEU A 7 -14.527 -1.528 -6.228 1.00 21.30 C ATOM 78 CD2 LEU A 7 -15.922 -3.476 -5.394 1.00 61.24 C ATOM 0 H LEU A 7 -18.266 -1.043 -3.104 1.00 4.33 H new ATOM 0 HA LEU A 7 -15.619 -1.982 -3.425 1.00 5.03 H new ATOM 0 HB2 LEU A 7 -17.749 -1.383 -5.021 1.00 31.34 H new ATOM 0 HB3 LEU A 7 -16.626 -0.095 -5.410 1.00 31.34 H new ATOM 0 HG LEU A 7 -16.466 -2.078 -6.900 1.00 24.02 H new ATOM 0 HD11 LEU A 7 -14.011 -2.217 -6.897 1.00 21.30 H new ATOM 0 HD12 LEU A 7 -14.588 -0.545 -6.696 1.00 21.30 H new ATOM 0 HD13 LEU A 7 -13.975 -1.450 -5.291 1.00 21.30 H new ATOM 0 HD21 LEU A 7 -15.378 -4.126 -6.080 1.00 61.24 H new ATOM 0 HD22 LEU A 7 -15.432 -3.484 -4.421 1.00 61.24 H new ATOM 0 HD23 LEU A 7 -16.945 -3.836 -5.287 1.00 61.24 H new ATOM 90 N LEU A 8 -15.958 1.238 -2.958 1.00 72.03 N ATOM 91 CA LEU A 8 -15.230 2.451 -2.625 1.00 15.24 C ATOM 92 C LEU A 8 -14.379 2.204 -1.377 1.00 52.42 C ATOM 93 O LEU A 8 -13.387 2.895 -1.151 1.00 44.21 O ATOM 94 CB LEU A 8 -16.190 3.633 -2.490 1.00 51.32 C ATOM 95 CG LEU A 8 -15.999 4.771 -3.496 1.00 13.43 C ATOM 96 CD1 LEU A 8 -14.692 5.520 -3.234 1.00 34.21 C ATOM 97 CD2 LEU A 8 -16.084 4.252 -4.934 1.00 60.54 C ATOM 0 H LEU A 8 -16.973 1.339 -2.968 1.00 72.03 H new ATOM 0 HA LEU A 8 -14.546 2.717 -3.431 1.00 15.24 H new ATOM 0 HB2 LEU A 8 -17.210 3.260 -2.583 1.00 51.32 H new ATOM 0 HB3 LEU A 8 -16.091 4.043 -1.485 1.00 51.32 H new ATOM 0 HG LEU A 8 -16.812 5.485 -3.363 1.00 13.43 H new ATOM 0 HD11 LEU A 8 -14.581 6.323 -3.962 1.00 34.21 H new ATOM 0 HD12 LEU A 8 -14.709 5.941 -2.229 1.00 34.21 H new ATOM 0 HD13 LEU A 8 -13.853 4.830 -3.324 1.00 34.21 H new ATOM 0 HD21 LEU A 8 -15.945 5.080 -5.629 1.00 60.54 H new ATOM 0 HD22 LEU A 8 -15.306 3.506 -5.098 1.00 60.54 H new ATOM 0 HD23 LEU A 8 -17.061 3.799 -5.100 1.00 60.54 H new ATOM 109 N GLY A 9 -14.799 1.216 -0.600 1.00 15.22 N ATOM 110 CA GLY A 9 -14.089 0.870 0.619 1.00 31.21 C ATOM 111 C GLY A 9 -12.920 -0.073 0.324 1.00 53.44 C ATOM 112 O GLY A 9 -11.864 0.027 0.947 1.00 44.13 O ATOM 0 H GLY A 9 -15.622 0.645 -0.791 1.00 15.22 H new ATOM 0 HA2 GLY A 9 -13.718 1.776 1.098 1.00 31.21 H new ATOM 0 HA3 GLY A 9 -14.775 0.396 1.322 1.00 31.21 H new ATOM 116 N PHE A 10 -13.148 -0.967 -0.627 1.00 41.54 N ATOM 117 CA PHE A 10 -12.129 -1.927 -1.013 1.00 21.22 C ATOM 118 C PHE A 10 -10.968 -1.235 -1.730 1.00 41.54 C ATOM 119 O PHE A 10 -9.843 -1.732 -1.722 1.00 54.21 O ATOM 120 CB PHE A 10 -12.788 -2.919 -1.972 1.00 32.13 C ATOM 121 CG PHE A 10 -11.801 -3.651 -2.885 1.00 22.40 C ATOM 122 CD1 PHE A 10 -12.027 -3.706 -4.225 1.00 5.13 C ATOM 123 CD2 PHE A 10 -10.699 -4.247 -2.356 1.00 40.14 C ATOM 124 CE1 PHE A 10 -11.111 -4.386 -5.071 1.00 45.44 C ATOM 125 CE2 PHE A 10 -9.784 -4.927 -3.203 1.00 60.51 C ATOM 126 CZ PHE A 10 -10.009 -4.981 -4.543 1.00 23.01 C ATOM 0 H PHE A 10 -14.025 -1.046 -1.142 1.00 41.54 H new ATOM 0 HA PHE A 10 -11.730 -2.422 -0.128 1.00 21.22 H new ATOM 0 HB2 PHE A 10 -13.345 -3.655 -1.392 1.00 32.13 H new ATOM 0 HB3 PHE A 10 -13.512 -2.386 -2.589 1.00 32.13 H new ATOM 0 HD1 PHE A 10 -12.902 -3.233 -4.645 1.00 5.13 H new ATOM 0 HD2 PHE A 10 -10.520 -4.203 -1.292 1.00 40.14 H new ATOM 0 HE1 PHE A 10 -11.290 -4.430 -6.135 1.00 45.44 H new ATOM 0 HE2 PHE A 10 -8.909 -5.401 -2.783 1.00 60.51 H new ATOM 0 HZ PHE A 10 -9.312 -5.496 -5.187 1.00 23.01 H new ATOM 136 N LEU A 11 -11.282 -0.099 -2.335 1.00 73.23 N ATOM 137 CA LEU A 11 -10.280 0.667 -3.057 1.00 11.23 C ATOM 138 C LEU A 11 -9.318 1.312 -2.056 1.00 5.32 C ATOM 139 O LEU A 11 -8.101 1.226 -2.217 1.00 62.32 O ATOM 140 CB LEU A 11 -10.948 1.669 -4.001 1.00 53.02 C ATOM 141 CG LEU A 11 -10.010 2.643 -4.718 1.00 41.23 C ATOM 142 CD1 LEU A 11 -9.626 3.807 -3.804 1.00 75.22 C ATOM 143 CD2 LEU A 11 -8.782 1.916 -5.268 1.00 10.35 C ATOM 0 H LEU A 11 -12.217 0.310 -2.340 1.00 73.23 H new ATOM 0 HA LEU A 11 -9.686 0.012 -3.694 1.00 11.23 H new ATOM 0 HB2 LEU A 11 -11.506 1.112 -4.754 1.00 53.02 H new ATOM 0 HB3 LEU A 11 -11.674 2.248 -3.430 1.00 53.02 H new ATOM 0 HG LEU A 11 -10.542 3.066 -5.570 1.00 41.23 H new ATOM 0 HD11 LEU A 11 -8.959 4.484 -4.338 1.00 75.22 H new ATOM 0 HD12 LEU A 11 -10.525 4.345 -3.503 1.00 75.22 H new ATOM 0 HD13 LEU A 11 -9.120 3.423 -2.918 1.00 75.22 H new ATOM 0 HD21 LEU A 11 -8.132 2.631 -5.773 1.00 10.35 H new ATOM 0 HD22 LEU A 11 -8.239 1.448 -4.447 1.00 10.35 H new ATOM 0 HD23 LEU A 11 -9.099 1.151 -5.977 1.00 10.35 H new ATOM 155 N ALA A 12 -9.900 1.941 -1.047 1.00 42.02 N ATOM 156 CA ALA A 12 -9.110 2.600 -0.020 1.00 12.52 C ATOM 157 C ALA A 12 -8.325 1.548 0.766 1.00 44.04 C ATOM 158 O ALA A 12 -7.340 1.871 1.429 1.00 2.33 O ATOM 159 CB ALA A 12 -10.029 3.433 0.876 1.00 43.40 C ATOM 0 H ALA A 12 -10.910 2.009 -0.918 1.00 42.02 H new ATOM 0 HA ALA A 12 -8.388 3.282 -0.469 1.00 12.52 H new ATOM 0 HB1 ALA A 12 -9.436 3.927 1.646 1.00 43.40 H new ATOM 0 HB2 ALA A 12 -10.541 4.184 0.274 1.00 43.40 H new ATOM 0 HB3 ALA A 12 -10.766 2.782 1.347 1.00 43.40 H new ATOM 165 N ALA A 13 -8.791 0.312 0.666 1.00 23.42 N ATOM 166 CA ALA A 13 -8.145 -0.790 1.361 1.00 53.41 C ATOM 167 C ALA A 13 -6.714 -0.945 0.841 1.00 52.41 C ATOM 168 O ALA A 13 -5.779 -1.096 1.624 1.00 11.05 O ATOM 169 CB ALA A 13 -8.973 -2.063 1.180 1.00 42.11 C ATOM 0 H ALA A 13 -9.608 0.049 0.115 1.00 23.42 H new ATOM 0 HA ALA A 13 -8.087 -0.589 2.431 1.00 53.41 H new ATOM 0 HB1 ALA A 13 -8.489 -2.889 1.701 1.00 42.11 H new ATOM 0 HB2 ALA A 13 -9.971 -1.910 1.591 1.00 42.11 H new ATOM 0 HB3 ALA A 13 -9.050 -2.299 0.119 1.00 42.11 H new ATOM 175 N GLY A 14 -6.591 -0.904 -0.478 1.00 50.20 N ATOM 176 CA GLY A 14 -5.290 -1.039 -1.112 1.00 50.54 C ATOM 177 C GLY A 14 -4.353 0.093 -0.687 1.00 30.44 C ATOM 178 O GLY A 14 -3.133 -0.052 -0.742 1.00 14.30 O ATOM 0 H GLY A 14 -7.370 -0.779 -1.124 1.00 50.20 H new ATOM 0 HA2 GLY A 14 -4.850 -2.000 -0.846 1.00 50.54 H new ATOM 0 HA3 GLY A 14 -5.407 -1.032 -2.196 1.00 50.54 H new ATOM 182 N SER A 15 -4.959 1.195 -0.270 1.00 70.52 N ATOM 183 CA SER A 15 -4.194 2.351 0.165 1.00 20.22 C ATOM 184 C SER A 15 -3.590 2.090 1.547 1.00 43.10 C ATOM 185 O SER A 15 -2.543 2.639 1.885 1.00 32.02 O ATOM 186 CB SER A 15 -5.065 3.609 0.196 1.00 31.32 C ATOM 187 OG SER A 15 -5.706 3.783 1.456 1.00 71.42 O ATOM 0 H SER A 15 -5.971 1.312 -0.224 1.00 70.52 H new ATOM 0 HA SER A 15 -3.389 2.517 -0.551 1.00 20.22 H new ATOM 0 HB2 SER A 15 -4.449 4.482 -0.021 1.00 31.32 H new ATOM 0 HB3 SER A 15 -5.819 3.548 -0.589 1.00 31.32 H new ATOM 0 HG SER A 15 -6.363 3.068 1.591 1.00 71.42 H new ATOM 193 N LYS A 16 -4.277 1.250 2.308 1.00 12.43 N ATOM 194 CA LYS A 16 -3.821 0.909 3.645 1.00 53.31 C ATOM 195 C LYS A 16 -2.410 0.323 3.564 1.00 43.31 C ATOM 196 O LYS A 16 -1.631 0.437 4.510 1.00 42.43 O ATOM 197 CB LYS A 16 -4.831 -0.010 4.337 1.00 13.25 C ATOM 198 CG LYS A 16 -6.173 0.698 4.530 1.00 44.13 C ATOM 199 CD LYS A 16 -6.330 1.192 5.969 1.00 61.00 C ATOM 200 CE LYS A 16 -6.897 0.091 6.868 1.00 30.21 C ATOM 201 NZ LYS A 16 -6.656 0.412 8.293 1.00 24.24 N ATOM 0 H LYS A 16 -5.145 0.796 2.024 1.00 12.43 H new ATOM 0 HA LYS A 16 -3.760 1.802 4.267 1.00 53.31 H new ATOM 0 HB2 LYS A 16 -4.974 -0.912 3.743 1.00 13.25 H new ATOM 0 HB3 LYS A 16 -4.439 -0.324 5.304 1.00 13.25 H new ATOM 0 HG2 LYS A 16 -6.246 1.541 3.842 1.00 44.13 H new ATOM 0 HG3 LYS A 16 -6.987 0.016 4.285 1.00 44.13 H new ATOM 0 HD2 LYS A 16 -5.363 1.518 6.353 1.00 61.00 H new ATOM 0 HD3 LYS A 16 -6.990 2.059 5.990 1.00 61.00 H new ATOM 0 HE2 LYS A 16 -7.967 -0.018 6.689 1.00 30.21 H new ATOM 0 HE3 LYS A 16 -6.433 -0.864 6.620 1.00 30.21 H new ATOM 0 HZ1 LYS A 16 -7.047 -0.345 8.890 1.00 24.24 H new ATOM 0 HZ2 LYS A 16 -5.633 0.494 8.462 1.00 24.24 H new ATOM 0 HZ3 LYS A 16 -7.119 1.313 8.529 1.00 24.24 H new ATOM 214 N LYS A 17 -2.124 -0.293 2.427 1.00 34.14 N ATOM 215 CA LYS A 17 -0.820 -0.898 2.210 1.00 22.50 C ATOM 216 C LYS A 17 0.066 0.077 1.432 1.00 24.32 C ATOM 217 O LYS A 17 0.677 0.969 2.019 1.00 54.13 O ATOM 218 CB LYS A 17 -0.968 -2.264 1.539 1.00 50.52 C ATOM 219 CG LYS A 17 -1.664 -3.260 2.470 1.00 73.41 C ATOM 220 CD LYS A 17 -3.068 -3.595 1.963 1.00 21.40 C ATOM 221 CE LYS A 17 -3.610 -4.853 2.644 1.00 4.22 C ATOM 222 NZ LYS A 17 -3.627 -5.989 1.695 1.00 52.52 N ATOM 0 H LYS A 17 -2.773 -0.387 1.646 1.00 34.14 H new ATOM 0 HA LYS A 17 -0.325 -1.089 3.162 1.00 22.50 H new ATOM 0 HB2 LYS A 17 -1.541 -2.160 0.618 1.00 50.52 H new ATOM 0 HB3 LYS A 17 0.015 -2.645 1.262 1.00 50.52 H new ATOM 0 HG2 LYS A 17 -1.072 -4.172 2.541 1.00 73.41 H new ATOM 0 HG3 LYS A 17 -1.726 -2.842 3.475 1.00 73.41 H new ATOM 0 HD2 LYS A 17 -3.737 -2.756 2.154 1.00 21.40 H new ATOM 0 HD3 LYS A 17 -3.043 -3.743 0.883 1.00 21.40 H new ATOM 0 HE2 LYS A 17 -2.992 -5.101 3.507 1.00 4.22 H new ATOM 0 HE3 LYS A 17 -4.618 -4.667 3.016 1.00 4.22 H new ATOM 0 HZ1 LYS A 17 -3.998 -6.835 2.173 1.00 52.52 H new ATOM 0 HZ2 LYS A 17 -4.235 -5.755 0.884 1.00 52.52 H new ATOM 0 HZ3 LYS A 17 -2.660 -6.176 1.360 1.00 52.52 H new HETATM 235 C1 ACA A 18 5.750 2.374 -2.931 1.00 64.21 C HETATM 236 O1 ACA A 18 5.286 3.137 -3.778 1.00 62.31 O HETATM 237 C2 ACA A 18 4.654 2.326 -1.937 1.00 51.31 C HETATM 238 C3 ACA A 18 3.567 1.348 -2.384 1.00 51.33 C HETATM 239 C4 ACA A 18 3.324 0.273 -1.322 1.00 52.44 C HETATM 240 C5 ACA A 18 2.359 0.775 -0.246 1.00 4.30 C HETATM 241 C6 ACA A 18 0.911 0.722 -0.740 1.00 2.12 C HETATM 242 N6 ACA A 18 0.109 -0.127 0.124 1.00 1.04 N HETATM 0 H62 ACA A 18 0.491 1.728 -0.763 1.00 2.12 H new HETATM 0 H61 ACA A 18 0.883 0.342 -1.761 1.00 2.12 H new HETATM 0 H52 ACA A 18 2.463 0.167 0.653 1.00 4.30 H new HETATM 0 H51 ACA A 18 2.616 1.798 0.029 1.00 4.30 H new HETATM 0 H42 ACA A 18 2.917 -0.622 -1.792 1.00 52.44 H new HETATM 0 H41 ACA A 18 4.271 -0.011 -0.863 1.00 52.44 H new HETATM 0 H32 ACA A 18 2.641 1.891 -2.575 1.00 51.33 H new HETATM 0 H31 ACA A 18 3.860 0.877 -3.322 1.00 51.33 H new HETATM 0 H22 ACA A 18 5.048 2.022 -0.967 1.00 51.31 H new HETATM 0 H21 ACA A 18 4.227 3.321 -1.810 1.00 51.31 H new ATOM 254 N LYS A 19 6.935 2.520 -2.356 1.00 51.42 N ATOM 255 CA LYS A 19 7.800 3.635 -2.702 1.00 24.54 C ATOM 256 C LYS A 19 8.225 3.510 -4.166 1.00 21.14 C ATOM 257 O LYS A 19 8.014 4.428 -4.958 1.00 1.02 O ATOM 258 CB LYS A 19 8.976 3.722 -1.726 1.00 42.22 C ATOM 259 CG LYS A 19 9.853 2.471 -1.810 1.00 52.44 C ATOM 260 CD LYS A 19 10.841 2.414 -0.643 1.00 74.15 C ATOM 261 CE LYS A 19 11.028 0.978 -0.152 1.00 62.03 C ATOM 262 NZ LYS A 19 9.860 0.548 0.650 1.00 70.41 N ATOM 0 HA LYS A 19 7.263 4.579 -2.605 1.00 24.54 H new ATOM 0 HB2 LYS A 19 9.574 4.605 -1.950 1.00 42.22 H new ATOM 0 HB3 LYS A 19 8.601 3.840 -0.709 1.00 42.22 H new ATOM 0 HG2 LYS A 19 9.224 1.581 -1.802 1.00 52.44 H new ATOM 0 HG3 LYS A 19 10.399 2.468 -2.754 1.00 52.44 H new ATOM 0 HD2 LYS A 19 11.802 2.823 -0.955 1.00 74.15 H new ATOM 0 HD3 LYS A 19 10.480 3.037 0.175 1.00 74.15 H new ATOM 0 HE2 LYS A 19 11.158 0.310 -1.004 1.00 62.03 H new ATOM 0 HE3 LYS A 19 11.935 0.908 0.449 1.00 62.03 H new ATOM 0 HZ1 LYS A 19 10.066 -0.366 1.101 1.00 70.41 H new ATOM 0 HZ2 LYS A 19 9.661 1.259 1.383 1.00 70.41 H new ATOM 0 HZ3 LYS A 19 9.031 0.449 0.030 1.00 70.41 H new ATOM 275 N ASN A 20 8.818 2.367 -4.483 1.00 74.24 N ATOM 276 CA ASN A 20 9.274 2.111 -5.838 1.00 23.41 C ATOM 277 C ASN A 20 9.351 0.601 -6.068 1.00 21.31 C ATOM 278 O ASN A 20 10.007 -0.113 -5.310 1.00 41.45 O ATOM 279 CB ASN A 20 10.668 2.697 -6.069 1.00 53.22 C ATOM 280 CG ASN A 20 10.605 4.217 -6.226 1.00 70.33 C ATOM 281 OD1 ASN A 20 9.732 4.765 -6.878 1.00 51.24 O ATOM 282 ND2 ASN A 20 11.577 4.868 -5.591 1.00 4.33 N ATOM 0 H ASN A 20 8.993 1.608 -3.824 1.00 74.24 H new ATOM 0 HA ASN A 20 8.569 2.577 -6.526 1.00 23.41 H new ATOM 0 HB2 ASN A 20 11.317 2.441 -5.232 1.00 53.22 H new ATOM 0 HB3 ASN A 20 11.109 2.254 -6.962 1.00 53.22 H new ATOM 0 HD21 ASN A 20 11.621 5.886 -5.633 1.00 4.33 H new ATOM 0 HD22 ASN A 20 12.278 4.349 -5.062 1.00 4.33 H new ATOM 289 N GLU A 21 8.674 0.159 -7.117 1.00 42.20 N ATOM 290 CA GLU A 21 8.658 -1.254 -7.457 1.00 52.05 C ATOM 291 C GLU A 21 10.033 -1.695 -7.961 1.00 34.11 C ATOM 292 O GLU A 21 10.532 -2.749 -7.572 1.00 21.21 O ATOM 293 CB GLU A 21 7.572 -1.557 -8.490 1.00 53.53 C ATOM 294 CG GLU A 21 6.243 -1.896 -7.809 1.00 32.44 C ATOM 295 CD GLU A 21 6.157 -3.390 -7.491 1.00 70.45 C ATOM 296 OE1 GLU A 21 5.200 -4.058 -7.908 1.00 32.00 O ATOM 297 OE2 GLU A 21 7.130 -3.853 -6.782 1.00 22.11 O ATOM 0 H GLU A 21 8.132 0.754 -7.743 1.00 42.20 H new ATOM 0 HA GLU A 21 8.425 -1.821 -6.556 1.00 52.05 H new ATOM 0 HB2 GLU A 21 7.439 -0.696 -9.146 1.00 53.53 H new ATOM 0 HB3 GLU A 21 7.886 -2.391 -9.118 1.00 53.53 H new ATOM 0 HG2 GLU A 21 6.143 -1.318 -6.890 1.00 32.44 H new ATOM 0 HG3 GLU A 21 5.415 -1.610 -8.457 1.00 32.44 H new ATOM 305 N GLN A 22 10.607 -0.865 -8.820 1.00 10.42 N ATOM 306 CA GLN A 22 11.915 -1.156 -9.381 1.00 54.21 C ATOM 307 C GLN A 22 12.908 -1.489 -8.267 1.00 13.21 C ATOM 308 O GLN A 22 13.568 -2.527 -8.309 1.00 73.01 O ATOM 309 CB GLN A 22 12.418 0.011 -10.234 1.00 72.44 C ATOM 310 CG GLN A 22 12.700 -0.438 -11.669 1.00 23.41 C ATOM 311 CD GLN A 22 11.437 -0.355 -12.528 1.00 44.12 C ATOM 312 OE1 GLN A 22 10.324 -0.535 -12.060 1.00 13.43 O ATOM 313 NE2 GLN A 22 11.670 -0.073 -13.807 1.00 64.00 N ATOM 0 H GLN A 22 10.190 0.009 -9.141 1.00 10.42 H new ATOM 0 HA GLN A 22 11.824 -2.026 -10.032 1.00 54.21 H new ATOM 0 HB2 GLN A 22 11.675 0.809 -10.238 1.00 72.44 H new ATOM 0 HB3 GLN A 22 13.326 0.423 -9.793 1.00 72.44 H new ATOM 0 HG2 GLN A 22 13.481 0.187 -12.103 1.00 23.41 H new ATOM 0 HG3 GLN A 22 13.076 -1.461 -11.666 1.00 23.41 H new ATOM 0 HE21 GLN A 22 12.627 0.066 -14.133 1.00 64.00 H new ATOM 0 HE22 GLN A 22 10.892 0.004 -14.462 1.00 64.00 H new ATOM 322 N GLU A 23 12.985 -0.590 -7.297 1.00 42.45 N ATOM 323 CA GLU A 23 13.886 -0.776 -6.174 1.00 20.43 C ATOM 324 C GLU A 23 13.620 -2.122 -5.496 1.00 34.43 C ATOM 325 O GLU A 23 14.539 -2.747 -4.968 1.00 13.35 O ATOM 326 CB GLU A 23 13.762 0.375 -5.173 1.00 41.52 C ATOM 327 CG GLU A 23 13.447 -0.149 -3.771 1.00 72.14 C ATOM 328 CD GLU A 23 13.229 1.006 -2.790 1.00 30.11 C ATOM 329 OE1 GLU A 23 12.687 2.053 -3.175 1.00 1.14 O ATOM 330 OE2 GLU A 23 13.646 0.787 -1.589 1.00 45.42 O ATOM 0 H GLU A 23 12.437 0.270 -7.266 1.00 42.45 H new ATOM 0 HA GLU A 23 14.908 -0.777 -6.552 1.00 20.43 H new ATOM 0 HB2 GLU A 23 14.691 0.945 -5.152 1.00 41.52 H new ATOM 0 HB3 GLU A 23 12.976 1.058 -5.495 1.00 41.52 H new ATOM 0 HG2 GLU A 23 12.556 -0.775 -3.805 1.00 72.14 H new ATOM 0 HG3 GLU A 23 14.266 -0.778 -3.422 1.00 72.14 H new ATOM 338 N LEU A 24 12.360 -2.527 -5.533 1.00 64.40 N ATOM 339 CA LEU A 24 11.961 -3.788 -4.928 1.00 14.22 C ATOM 340 C LEU A 24 12.468 -4.945 -5.793 1.00 51.45 C ATOM 341 O LEU A 24 12.999 -5.925 -5.275 1.00 62.10 O ATOM 342 CB LEU A 24 10.450 -3.814 -4.690 1.00 33.42 C ATOM 343 CG LEU A 24 10.000 -4.219 -3.285 1.00 4.31 C ATOM 344 CD1 LEU A 24 10.751 -5.463 -2.807 1.00 62.12 C ATOM 345 CD2 LEU A 24 10.142 -3.052 -2.306 1.00 42.31 C ATOM 0 H LEU A 24 11.601 -2.005 -5.972 1.00 64.40 H new ATOM 0 HA LEU A 24 12.417 -3.900 -3.944 1.00 14.22 H new ATOM 0 HB2 LEU A 24 10.051 -2.823 -4.906 1.00 33.42 H new ATOM 0 HB3 LEU A 24 10.001 -4.502 -5.406 1.00 33.42 H new ATOM 0 HG LEU A 24 8.942 -4.477 -3.326 1.00 4.31 H new ATOM 0 HD11 LEU A 24 10.413 -5.730 -1.806 1.00 62.12 H new ATOM 0 HD12 LEU A 24 10.555 -6.291 -3.489 1.00 62.12 H new ATOM 0 HD13 LEU A 24 11.821 -5.256 -2.785 1.00 62.12 H new ATOM 0 HD21 LEU A 24 9.815 -3.367 -1.315 1.00 42.31 H new ATOM 0 HD22 LEU A 24 11.185 -2.739 -2.262 1.00 42.31 H new ATOM 0 HD23 LEU A 24 9.527 -2.218 -2.643 1.00 42.31 H new ATOM 357 N LEU A 25 12.284 -4.792 -7.096 1.00 54.13 N ATOM 358 CA LEU A 25 12.715 -5.812 -8.037 1.00 30.21 C ATOM 359 C LEU A 25 14.207 -6.085 -7.838 1.00 12.21 C ATOM 360 O LEU A 25 14.667 -7.210 -8.028 1.00 5.24 O ATOM 361 CB LEU A 25 12.349 -5.411 -9.467 1.00 71.01 C ATOM 362 CG LEU A 25 11.184 -6.174 -10.101 1.00 32.15 C ATOM 363 CD1 LEU A 25 9.925 -6.069 -9.238 1.00 54.44 C ATOM 364 CD2 LEU A 25 10.938 -5.706 -11.537 1.00 64.51 C ATOM 0 H LEU A 25 11.842 -3.977 -7.522 1.00 54.13 H new ATOM 0 HA LEU A 25 12.191 -6.749 -7.849 1.00 30.21 H new ATOM 0 HB2 LEU A 25 12.108 -4.348 -9.475 1.00 71.01 H new ATOM 0 HB3 LEU A 25 13.229 -5.543 -10.097 1.00 71.01 H new ATOM 0 HG LEU A 25 11.453 -7.229 -10.149 1.00 32.15 H new ATOM 0 HD11 LEU A 25 9.112 -6.620 -9.711 1.00 54.44 H new ATOM 0 HD12 LEU A 25 10.123 -6.490 -8.252 1.00 54.44 H new ATOM 0 HD13 LEU A 25 9.641 -5.022 -9.134 1.00 54.44 H new ATOM 0 HD21 LEU A 25 10.105 -6.264 -11.964 1.00 64.51 H new ATOM 0 HD22 LEU A 25 10.700 -4.642 -11.537 1.00 64.51 H new ATOM 0 HD23 LEU A 25 11.834 -5.878 -12.134 1.00 64.51 H new ATOM 376 N GLU A 26 14.922 -5.037 -7.458 1.00 15.23 N ATOM 377 CA GLU A 26 16.354 -5.150 -7.232 1.00 61.23 C ATOM 378 C GLU A 26 16.630 -6.041 -6.019 1.00 52.02 C ATOM 379 O GLU A 26 17.574 -6.829 -6.026 1.00 32.11 O ATOM 380 CB GLU A 26 16.991 -3.770 -7.054 1.00 31.31 C ATOM 381 CG GLU A 26 16.594 -2.831 -8.196 1.00 45.44 C ATOM 382 CD GLU A 26 17.752 -2.643 -9.178 1.00 52.35 C ATOM 383 OE1 GLU A 26 18.379 -3.627 -9.593 1.00 4.14 O ATOM 384 OE2 GLU A 26 17.989 -1.419 -9.511 1.00 20.24 O ATOM 0 H GLU A 26 14.537 -4.105 -7.301 1.00 15.23 H new ATOM 0 HA GLU A 26 16.806 -5.612 -8.109 1.00 61.23 H new ATOM 0 HB2 GLU A 26 16.679 -3.342 -6.101 1.00 31.31 H new ATOM 0 HB3 GLU A 26 18.076 -3.868 -7.020 1.00 31.31 H new ATOM 0 HG2 GLU A 26 15.729 -3.236 -8.721 1.00 45.44 H new ATOM 0 HG3 GLU A 26 16.296 -1.864 -7.790 1.00 45.44 H new ATOM 392 N LEU A 27 15.789 -5.887 -5.007 1.00 32.21 N ATOM 393 CA LEU A 27 15.931 -6.668 -3.790 1.00 73.11 C ATOM 394 C LEU A 27 16.001 -8.154 -4.148 1.00 54.14 C ATOM 395 O LEU A 27 16.736 -8.914 -3.520 1.00 1.40 O ATOM 396 CB LEU A 27 14.815 -6.326 -2.800 1.00 34.54 C ATOM 397 CG LEU A 27 15.235 -6.207 -1.333 1.00 2.21 C ATOM 398 CD1 LEU A 27 15.871 -7.507 -0.839 1.00 25.40 C ATOM 399 CD2 LEU A 27 16.152 -5.002 -1.120 1.00 0.54 C ATOM 0 H LEU A 27 15.007 -5.233 -5.005 1.00 32.21 H new ATOM 0 HA LEU A 27 16.863 -6.417 -3.283 1.00 73.11 H new ATOM 0 HB2 LEU A 27 14.361 -5.383 -3.105 1.00 34.54 H new ATOM 0 HB3 LEU A 27 14.042 -7.091 -2.875 1.00 34.54 H new ATOM 0 HG LEU A 27 14.340 -6.038 -0.734 1.00 2.21 H new ATOM 0 HD11 LEU A 27 16.161 -7.396 0.206 1.00 25.40 H new ATOM 0 HD12 LEU A 27 15.153 -8.322 -0.932 1.00 25.40 H new ATOM 0 HD13 LEU A 27 16.754 -7.731 -1.438 1.00 25.40 H new ATOM 0 HD21 LEU A 27 16.435 -4.941 -0.069 1.00 0.54 H new ATOM 0 HD22 LEU A 27 17.048 -5.114 -1.731 1.00 0.54 H new ATOM 0 HD23 LEU A 27 15.628 -4.091 -1.408 1.00 0.54 H new ATOM 411 N ASP A 28 15.224 -8.523 -5.157 1.00 22.54 N ATOM 412 CA ASP A 28 15.188 -9.905 -5.606 1.00 14.01 C ATOM 413 C ASP A 28 16.584 -10.320 -6.078 1.00 54.23 C ATOM 414 O ASP A 28 16.979 -11.474 -5.920 1.00 72.45 O ATOM 415 CB ASP A 28 14.222 -10.078 -6.779 1.00 74.14 C ATOM 416 CG ASP A 28 14.111 -11.504 -7.321 1.00 41.55 C ATOM 417 OD1 ASP A 28 14.853 -12.405 -6.904 1.00 24.12 O ATOM 418 OD2 ASP A 28 13.202 -11.676 -8.222 1.00 22.54 O ATOM 0 H ASP A 28 14.615 -7.890 -5.675 1.00 22.54 H new ATOM 0 HA ASP A 28 14.856 -10.522 -4.771 1.00 14.01 H new ATOM 0 HB2 ASP A 28 13.232 -9.746 -6.467 1.00 74.14 H new ATOM 0 HB3 ASP A 28 14.537 -9.421 -7.590 1.00 74.14 H new ATOM 424 N LYS A 29 17.291 -9.356 -6.649 1.00 31.11 N ATOM 425 CA LYS A 29 18.633 -9.606 -7.146 1.00 22.13 C ATOM 426 C LYS A 29 19.603 -9.683 -5.965 1.00 44.40 C ATOM 427 O LYS A 29 20.610 -10.387 -6.029 1.00 55.40 O ATOM 428 CB LYS A 29 19.022 -8.560 -8.192 1.00 42.23 C ATOM 429 CG LYS A 29 17.956 -8.457 -9.286 1.00 11.15 C ATOM 430 CD LYS A 29 18.601 -8.376 -10.672 1.00 64.04 C ATOM 431 CE LYS A 29 17.607 -8.782 -11.763 1.00 25.04 C ATOM 432 NZ LYS A 29 17.682 -7.846 -12.906 1.00 15.11 N ATOM 0 H LYS A 29 16.959 -8.400 -6.779 1.00 31.11 H new ATOM 0 HA LYS A 29 18.675 -10.567 -7.659 1.00 22.13 H new ATOM 0 HB2 LYS A 29 19.150 -7.590 -7.712 1.00 42.23 H new ATOM 0 HB3 LYS A 29 19.981 -8.825 -8.637 1.00 42.23 H new ATOM 0 HG2 LYS A 29 17.295 -9.323 -9.238 1.00 11.15 H new ATOM 0 HG3 LYS A 29 17.339 -7.575 -9.116 1.00 11.15 H new ATOM 0 HD2 LYS A 29 18.953 -7.361 -10.855 1.00 64.04 H new ATOM 0 HD3 LYS A 29 19.474 -9.027 -10.710 1.00 64.04 H new ATOM 0 HE2 LYS A 29 17.823 -9.796 -12.101 1.00 25.04 H new ATOM 0 HE3 LYS A 29 16.595 -8.789 -11.357 1.00 25.04 H new ATOM 0 HZ1 LYS A 29 17.001 -8.136 -13.637 1.00 15.11 H new ATOM 0 HZ2 LYS A 29 17.454 -6.884 -12.583 1.00 15.11 H new ATOM 0 HZ3 LYS A 29 18.643 -7.859 -13.303 1.00 15.11 H new ATOM 445 N TRP A 30 19.264 -8.952 -4.913 1.00 54.21 N ATOM 446 CA TRP A 30 20.093 -8.929 -3.720 1.00 62.12 C ATOM 447 C TRP A 30 19.988 -10.298 -3.045 1.00 74.32 C ATOM 448 O TRP A 30 20.974 -11.027 -2.957 1.00 42.03 O ATOM 449 CB TRP A 30 19.693 -7.776 -2.797 1.00 74.32 C ATOM 450 CG TRP A 30 20.504 -7.704 -1.502 1.00 23.15 C ATOM 451 CD1 TRP A 30 21.635 -7.022 -1.274 1.00 34.33 C ATOM 452 CD2 TRP A 30 20.201 -8.370 -0.259 1.00 4.33 C ATOM 453 NE1 TRP A 30 22.081 -7.199 0.020 1.00 71.34 N ATOM 454 CE2 TRP A 30 21.180 -8.045 0.657 1.00 10.34 C ATOM 455 CE3 TRP A 30 19.133 -9.221 0.081 1.00 35.51 C ATOM 456 CZ2 TRP A 30 21.190 -8.526 1.972 1.00 31.50 C ATOM 457 CZ3 TRP A 30 19.158 -9.692 1.399 1.00 3.23 C ATOM 458 CH2 TRP A 30 20.137 -9.374 2.333 1.00 12.54 C ATOM 0 H TRP A 30 18.427 -8.372 -4.862 1.00 54.21 H new ATOM 0 HA TRP A 30 21.136 -8.747 -3.979 1.00 62.12 H new ATOM 0 HB2 TRP A 30 19.806 -6.836 -3.337 1.00 74.32 H new ATOM 0 HB3 TRP A 30 18.637 -7.874 -2.547 1.00 74.32 H new ATOM 0 HD1 TRP A 30 22.135 -6.410 -2.011 1.00 34.33 H new ATOM 0 HE1 TRP A 30 22.917 -6.786 0.433 1.00 71.34 H new ATOM 0 HE3 TRP A 30 18.356 -9.489 -0.619 1.00 35.51 H new ATOM 0 HZ2 TRP A 30 21.969 -8.257 2.670 1.00 31.50 H new ATOM 0 HZ3 TRP A 30 18.360 -10.349 1.712 1.00 3.23 H new ATOM 0 HH2 TRP A 30 20.085 -9.779 3.333 1.00 12.54 H new ATOM 469 N ALA A 31 18.783 -10.605 -2.587 1.00 23.32 N ATOM 470 CA ALA A 31 18.537 -11.874 -1.922 1.00 11.44 C ATOM 471 C ALA A 31 18.993 -13.018 -2.831 1.00 33.11 C ATOM 472 O ALA A 31 19.368 -14.085 -2.350 1.00 2.43 O ATOM 473 CB ALA A 31 17.055 -11.979 -1.554 1.00 15.32 C ATOM 0 H ALA A 31 17.967 -9.998 -2.663 1.00 23.32 H new ATOM 0 HA ALA A 31 19.109 -11.939 -0.996 1.00 11.44 H new ATOM 0 HB1 ALA A 31 16.870 -12.931 -1.055 1.00 15.32 H new ATOM 0 HB2 ALA A 31 16.787 -11.161 -0.885 1.00 15.32 H new ATOM 0 HB3 ALA A 31 16.450 -11.920 -2.459 1.00 15.32 H new ATOM 479 N SER A 32 18.946 -12.754 -4.129 1.00 23.43 N ATOM 480 CA SER A 32 19.351 -13.748 -5.109 1.00 54.51 C ATOM 481 C SER A 32 20.745 -14.278 -4.772 1.00 62.41 C ATOM 482 O SER A 32 21.051 -15.441 -5.034 1.00 13.12 O ATOM 483 CB SER A 32 19.332 -13.165 -6.524 1.00 5.43 C ATOM 484 OG SER A 32 18.297 -13.733 -7.321 1.00 41.20 O ATOM 0 H SER A 32 18.634 -11.867 -4.524 1.00 23.43 H new ATOM 0 HA SER A 32 18.639 -14.572 -5.075 1.00 54.51 H new ATOM 0 HB2 SER A 32 19.196 -12.085 -6.469 1.00 5.43 H new ATOM 0 HB3 SER A 32 20.296 -13.341 -7.002 1.00 5.43 H new ATOM 0 HG SER A 32 17.462 -13.242 -7.171 1.00 41.20 H new ATOM 490 N LEU A 33 21.554 -13.401 -4.196 1.00 24.23 N ATOM 491 CA LEU A 33 22.909 -13.767 -3.819 1.00 14.32 C ATOM 492 C LEU A 33 22.872 -15.034 -2.963 1.00 1.33 C ATOM 493 O LEU A 33 23.674 -15.946 -3.163 1.00 70.24 O ATOM 494 CB LEU A 33 23.614 -12.590 -3.144 1.00 71.43 C ATOM 495 CG LEU A 33 23.084 -12.192 -1.765 1.00 61.22 C ATOM 496 CD1 LEU A 33 23.826 -12.942 -0.656 1.00 54.00 C ATOM 497 CD2 LEU A 33 23.143 -10.676 -1.570 1.00 72.24 C ATOM 0 H LEU A 33 21.297 -12.438 -3.981 1.00 24.23 H new ATOM 0 HA LEU A 33 23.501 -13.998 -4.705 1.00 14.32 H new ATOM 0 HB2 LEU A 33 24.672 -12.832 -3.048 1.00 71.43 H new ATOM 0 HB3 LEU A 33 23.544 -11.724 -3.802 1.00 71.43 H new ATOM 0 HG LEU A 33 22.035 -12.483 -1.706 1.00 61.22 H new ATOM 0 HD11 LEU A 33 23.431 -12.641 0.314 1.00 54.00 H new ATOM 0 HD12 LEU A 33 23.688 -14.015 -0.787 1.00 54.00 H new ATOM 0 HD13 LEU A 33 24.889 -12.704 -0.704 1.00 54.00 H new ATOM 0 HD21 LEU A 33 22.760 -10.421 -0.582 1.00 72.24 H new ATOM 0 HD22 LEU A 33 24.175 -10.338 -1.658 1.00 72.24 H new ATOM 0 HD23 LEU A 33 22.535 -10.187 -2.331 1.00 72.24 H new ATOM 509 N TRP A 34 21.933 -15.051 -2.029 1.00 4.52 N ATOM 510 CA TRP A 34 21.781 -16.192 -1.142 1.00 41.20 C ATOM 511 C TRP A 34 21.682 -17.452 -2.005 1.00 64.44 C ATOM 512 O TRP A 34 22.335 -18.456 -1.720 1.00 52.31 O ATOM 513 CB TRP A 34 20.579 -16.008 -0.213 1.00 11.45 C ATOM 514 CG TRP A 34 20.818 -15.013 0.924 1.00 0.13 C ATOM 515 CD1 TRP A 34 20.936 -13.681 0.844 1.00 55.14 C ATOM 516 CD2 TRP A 34 20.965 -15.328 2.325 1.00 24.12 C ATOM 517 NE1 TRP A 34 21.147 -13.116 2.085 1.00 2.32 N ATOM 518 CE2 TRP A 34 21.165 -14.150 3.015 1.00 15.30 C ATOM 519 CE3 TRP A 34 20.931 -16.568 2.988 1.00 72.15 C ATOM 520 CZ2 TRP A 34 21.346 -14.094 4.401 1.00 20.43 C ATOM 521 CZ3 TRP A 34 21.114 -16.495 4.374 1.00 63.15 C ATOM 522 CH2 TRP A 34 21.315 -15.316 5.083 1.00 21.05 C ATOM 0 H TRP A 34 21.270 -14.293 -1.867 1.00 4.52 H new ATOM 0 HA TRP A 34 22.645 -16.287 -0.485 1.00 41.20 H new ATOM 0 HB2 TRP A 34 19.725 -15.673 -0.802 1.00 11.45 H new ATOM 0 HB3 TRP A 34 20.312 -16.975 0.214 1.00 11.45 H new ATOM 0 HD1 TRP A 34 20.874 -13.120 -0.077 1.00 55.14 H new ATOM 0 HE1 TRP A 34 21.268 -12.123 2.284 1.00 2.32 H new ATOM 0 HE3 TRP A 34 20.776 -17.502 2.469 1.00 72.15 H new ATOM 0 HZ2 TRP A 34 21.501 -13.158 4.917 1.00 20.43 H new ATOM 0 HZ3 TRP A 34 21.098 -17.420 4.932 1.00 63.15 H new ATOM 0 HH2 TRP A 34 21.447 -15.343 6.155 1.00 21.05 H new ATOM 533 N ASN A 35 20.861 -17.359 -3.040 1.00 51.32 N ATOM 534 CA ASN A 35 20.669 -18.479 -3.946 1.00 13.23 C ATOM 535 C ASN A 35 21.808 -18.504 -4.968 1.00 52.35 C ATOM 536 O ASN A 35 21.627 -18.091 -6.113 1.00 1.35 O ATOM 537 CB ASN A 35 19.350 -18.348 -4.711 1.00 23.22 C ATOM 538 CG ASN A 35 18.171 -18.197 -3.748 1.00 45.20 C ATOM 539 OD1 ASN A 35 17.544 -19.160 -3.337 1.00 61.24 O ATOM 540 ND2 ASN A 35 17.905 -16.938 -3.412 1.00 71.22 N ATOM 0 H ASN A 35 20.321 -16.525 -3.272 1.00 51.32 H new ATOM 0 HA ASN A 35 20.653 -19.394 -3.353 1.00 13.23 H new ATOM 0 HB2 ASN A 35 19.395 -17.485 -5.375 1.00 23.22 H new ATOM 0 HB3 ASN A 35 19.201 -19.226 -5.339 1.00 23.22 H new ATOM 0 HD21 ASN A 35 17.136 -16.732 -2.774 1.00 71.22 H new ATOM 0 HD22 ASN A 35 18.470 -16.178 -3.792 1.00 71.22 H new TER 547 ASN A 35