USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=5 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 Set 1.1: A 20 ASN : amide:sc= -1.9 K(o=-3.8,f=-2) USER MOD Set 1.2: A 22 GLN : amide:sc= -1.9 K(o=-3.8,f=-0.91) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.117 (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+ 165:sc= -0.198 (180deg=-0.325) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0883) USER MOD Single : A 32 SER OG : rot -55:sc= 0.822 USER MOD Single : A 35 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.339 -5.374 -6.908 1.00 22.02 N ATOM 2 CA GLY A 1 -25.006 -4.140 -7.287 1.00 64.52 C ATOM 3 C GLY A 1 -23.988 -3.041 -7.602 1.00 53.24 C ATOM 4 O GLY A 1 -22.794 -3.312 -7.719 1.00 42.23 O ATOM 0 H1 GLY A 1 -24.753 -6.169 -7.436 1.00 22.02 H new ATOM 0 H2 GLY A 1 -23.325 -5.302 -7.128 1.00 22.02 H new ATOM 0 H3 GLY A 1 -24.461 -5.536 -5.888 1.00 22.02 H new ATOM 0 HA2 GLY A 1 -25.637 -4.316 -8.158 1.00 64.52 H new ATOM 0 HA3 GLY A 1 -25.661 -3.813 -6.479 1.00 64.52 H new ATOM 8 N ILE A 2 -24.498 -1.826 -7.730 1.00 62.42 N ATOM 9 CA ILE A 2 -23.648 -0.685 -8.030 1.00 71.41 C ATOM 10 C ILE A 2 -23.440 0.138 -6.756 1.00 23.31 C ATOM 11 O ILE A 2 -24.161 1.105 -6.514 1.00 34.21 O ATOM 12 CB ILE A 2 -24.223 0.121 -9.196 1.00 11.12 C ATOM 13 CG1 ILE A 2 -25.084 -0.764 -10.102 1.00 71.15 C ATOM 14 CG2 ILE A 2 -23.112 0.828 -9.975 1.00 73.35 C ATOM 15 CD1 ILE A 2 -25.714 0.057 -11.228 1.00 11.45 C ATOM 0 H ILE A 2 -25.489 -1.606 -7.632 1.00 62.42 H new ATOM 0 HA ILE A 2 -22.664 -1.019 -8.360 1.00 71.41 H new ATOM 0 HB ILE A 2 -24.873 0.895 -8.788 1.00 11.12 H new ATOM 0 HG12 ILE A 2 -24.473 -1.561 -10.526 1.00 71.15 H new ATOM 0 HG13 ILE A 2 -25.867 -1.242 -9.513 1.00 71.15 H new ATOM 0 HG21 ILE A 2 -23.548 1.394 -10.798 1.00 73.35 H new ATOM 0 HG22 ILE A 2 -22.578 1.507 -9.311 1.00 73.35 H new ATOM 0 HG23 ILE A 2 -22.418 0.087 -10.372 1.00 73.35 H new ATOM 0 HD11 ILE A 2 -26.321 -0.594 -11.858 1.00 11.45 H new ATOM 0 HD12 ILE A 2 -26.343 0.838 -10.801 1.00 11.45 H new ATOM 0 HD13 ILE A 2 -24.928 0.513 -11.829 1.00 11.45 H new ATOM 27 N GLY A 3 -22.451 -0.274 -5.978 1.00 72.25 N ATOM 28 CA GLY A 3 -22.140 0.413 -4.737 1.00 54.03 C ATOM 29 C GLY A 3 -20.874 1.260 -4.881 1.00 30.13 C ATOM 30 O GLY A 3 -19.804 0.867 -4.420 1.00 75.13 O ATOM 0 H GLY A 3 -21.854 -1.075 -6.183 1.00 72.25 H new ATOM 0 HA2 GLY A 3 -22.977 1.050 -4.450 1.00 54.03 H new ATOM 0 HA3 GLY A 3 -22.005 -0.316 -3.938 1.00 54.03 H new ATOM 34 N ALA A 4 -21.038 2.407 -5.523 1.00 3.45 N ATOM 35 CA ALA A 4 -19.922 3.313 -5.735 1.00 50.42 C ATOM 36 C ALA A 4 -19.304 3.678 -4.384 1.00 24.22 C ATOM 37 O ALA A 4 -18.124 4.017 -4.308 1.00 1.12 O ATOM 38 CB ALA A 4 -20.401 4.543 -6.509 1.00 1.15 C ATOM 0 H ALA A 4 -21.928 2.730 -5.904 1.00 3.45 H new ATOM 0 HA ALA A 4 -19.147 2.834 -6.334 1.00 50.42 H new ATOM 0 HB1 ALA A 4 -19.563 5.222 -6.668 1.00 1.15 H new ATOM 0 HB2 ALA A 4 -20.804 4.232 -7.473 1.00 1.15 H new ATOM 0 HB3 ALA A 4 -21.178 5.052 -5.938 1.00 1.15 H new ATOM 44 N PHE A 5 -20.131 3.599 -3.351 1.00 42.55 N ATOM 45 CA PHE A 5 -19.680 3.918 -2.007 1.00 10.02 C ATOM 46 C PHE A 5 -18.974 2.721 -1.367 1.00 35.32 C ATOM 47 O PHE A 5 -18.017 2.890 -0.613 1.00 20.43 O ATOM 48 CB PHE A 5 -20.926 4.258 -1.187 1.00 13.13 C ATOM 49 CG PHE A 5 -22.031 4.947 -1.990 1.00 52.24 C ATOM 50 CD1 PHE A 5 -23.334 4.629 -1.766 1.00 24.11 C ATOM 51 CD2 PHE A 5 -21.709 5.878 -2.928 1.00 33.23 C ATOM 52 CE1 PHE A 5 -24.359 5.269 -2.511 1.00 25.04 C ATOM 53 CE2 PHE A 5 -22.735 6.518 -3.674 1.00 73.14 C ATOM 54 CZ PHE A 5 -24.038 6.199 -3.450 1.00 23.41 C ATOM 0 H PHE A 5 -21.110 3.319 -3.418 1.00 42.55 H new ATOM 0 HA PHE A 5 -18.974 4.748 -2.038 1.00 10.02 H new ATOM 0 HB2 PHE A 5 -21.324 3.341 -0.753 1.00 13.13 H new ATOM 0 HB3 PHE A 5 -20.637 4.904 -0.358 1.00 13.13 H new ATOM 0 HD1 PHE A 5 -23.589 3.890 -1.021 1.00 24.11 H new ATOM 0 HD2 PHE A 5 -20.674 6.131 -3.106 1.00 33.23 H new ATOM 0 HE1 PHE A 5 -25.394 5.017 -2.332 1.00 25.04 H new ATOM 0 HE2 PHE A 5 -22.480 7.258 -4.419 1.00 73.14 H new ATOM 0 HZ PHE A 5 -24.818 6.684 -4.018 1.00 23.41 H new ATOM 64 N GLY A 6 -19.474 1.537 -1.691 1.00 5.12 N ATOM 65 CA GLY A 6 -18.903 0.312 -1.158 1.00 72.45 C ATOM 66 C GLY A 6 -17.569 -0.012 -1.834 1.00 65.45 C ATOM 67 O GLY A 6 -16.681 -0.596 -1.215 1.00 1.22 O ATOM 0 H GLY A 6 -20.268 1.400 -2.316 1.00 5.12 H new ATOM 0 HA2 GLY A 6 -18.754 0.414 -0.083 1.00 72.45 H new ATOM 0 HA3 GLY A 6 -19.600 -0.513 -1.307 1.00 72.45 H new ATOM 71 N LEU A 7 -17.469 0.385 -3.095 1.00 71.22 N ATOM 72 CA LEU A 7 -16.259 0.145 -3.861 1.00 51.42 C ATOM 73 C LEU A 7 -15.204 1.185 -3.480 1.00 42.14 C ATOM 74 O LEU A 7 -14.011 0.968 -3.684 1.00 61.33 O ATOM 75 CB LEU A 7 -16.572 0.106 -5.358 1.00 5.41 C ATOM 76 CG LEU A 7 -17.205 -1.186 -5.877 1.00 22.20 C ATOM 77 CD1 LEU A 7 -17.428 -1.118 -7.389 1.00 2.41 C ATOM 78 CD2 LEU A 7 -16.373 -2.406 -5.475 1.00 65.21 C ATOM 0 H LEU A 7 -18.207 0.871 -3.604 1.00 71.22 H new ATOM 0 HA LEU A 7 -15.843 -0.833 -3.620 1.00 51.42 H new ATOM 0 HB2 LEU A 7 -17.241 0.934 -5.591 1.00 5.41 H new ATOM 0 HB3 LEU A 7 -15.647 0.280 -5.907 1.00 5.41 H new ATOM 0 HG LEU A 7 -18.184 -1.297 -5.411 1.00 22.20 H new ATOM 0 HD11 LEU A 7 -17.879 -2.049 -7.732 1.00 2.41 H new ATOM 0 HD12 LEU A 7 -18.092 -0.286 -7.622 1.00 2.41 H new ATOM 0 HD13 LEU A 7 -16.472 -0.971 -7.892 1.00 2.41 H new ATOM 0 HD21 LEU A 7 -16.846 -3.311 -5.857 1.00 65.21 H new ATOM 0 HD22 LEU A 7 -15.370 -2.316 -5.893 1.00 65.21 H new ATOM 0 HD23 LEU A 7 -16.309 -2.461 -4.388 1.00 65.21 H new ATOM 90 N LEU A 8 -15.683 2.293 -2.933 1.00 51.15 N ATOM 91 CA LEU A 8 -14.796 3.368 -2.521 1.00 24.13 C ATOM 92 C LEU A 8 -13.914 2.884 -1.369 1.00 0.42 C ATOM 93 O LEU A 8 -12.809 3.388 -1.173 1.00 2.32 O ATOM 94 CB LEU A 8 -15.599 4.629 -2.193 1.00 53.54 C ATOM 95 CG LEU A 8 -15.175 5.904 -2.926 1.00 15.33 C ATOM 96 CD1 LEU A 8 -13.691 6.199 -2.701 1.00 14.04 C ATOM 97 CD2 LEU A 8 -15.524 5.822 -4.413 1.00 22.13 C ATOM 0 H LEU A 8 -16.674 2.469 -2.766 1.00 51.15 H new ATOM 0 HA LEU A 8 -14.129 3.645 -3.338 1.00 24.13 H new ATOM 0 HB2 LEU A 8 -16.648 4.436 -2.418 1.00 53.54 H new ATOM 0 HB3 LEU A 8 -15.531 4.810 -1.120 1.00 53.54 H new ATOM 0 HG LEU A 8 -15.736 6.740 -2.509 1.00 15.33 H new ATOM 0 HD11 LEU A 8 -13.416 7.110 -3.233 1.00 14.04 H new ATOM 0 HD12 LEU A 8 -13.504 6.330 -1.635 1.00 14.04 H new ATOM 0 HD13 LEU A 8 -13.094 5.367 -3.074 1.00 14.04 H new ATOM 0 HD21 LEU A 8 -15.212 6.740 -4.911 1.00 22.13 H new ATOM 0 HD22 LEU A 8 -15.008 4.973 -4.861 1.00 22.13 H new ATOM 0 HD23 LEU A 8 -16.600 5.694 -4.528 1.00 22.13 H new ATOM 109 N GLY A 9 -14.435 1.910 -0.636 1.00 21.25 N ATOM 110 CA GLY A 9 -13.709 1.352 0.491 1.00 51.25 C ATOM 111 C GLY A 9 -12.747 0.253 0.034 1.00 70.04 C ATOM 112 O GLY A 9 -11.685 0.067 0.627 1.00 10.54 O ATOM 0 H GLY A 9 -15.351 1.494 -0.801 1.00 21.25 H new ATOM 0 HA2 GLY A 9 -13.152 2.141 0.996 1.00 51.25 H new ATOM 0 HA3 GLY A 9 -14.413 0.945 1.216 1.00 51.25 H new ATOM 116 N PHE A 10 -13.153 -0.446 -1.016 1.00 20.40 N ATOM 117 CA PHE A 10 -12.340 -1.520 -1.560 1.00 34.30 C ATOM 118 C PHE A 10 -10.957 -1.009 -1.967 1.00 13.40 C ATOM 119 O PHE A 10 -9.951 -1.677 -1.729 1.00 60.34 O ATOM 120 CB PHE A 10 -13.064 -2.044 -2.802 1.00 70.31 C ATOM 121 CG PHE A 10 -12.838 -3.532 -3.073 1.00 33.43 C ATOM 122 CD1 PHE A 10 -11.687 -3.949 -3.664 1.00 53.32 C ATOM 123 CD2 PHE A 10 -13.789 -4.439 -2.722 1.00 41.00 C ATOM 124 CE1 PHE A 10 -11.478 -5.331 -3.915 1.00 64.43 C ATOM 125 CE2 PHE A 10 -13.580 -5.821 -2.973 1.00 52.41 C ATOM 126 CZ PHE A 10 -12.428 -6.237 -3.564 1.00 12.14 C ATOM 0 H PHE A 10 -14.035 -0.289 -1.504 1.00 20.40 H new ATOM 0 HA PHE A 10 -12.203 -2.299 -0.810 1.00 34.30 H new ATOM 0 HB2 PHE A 10 -14.133 -1.864 -2.690 1.00 70.31 H new ATOM 0 HB3 PHE A 10 -12.734 -1.473 -3.670 1.00 70.31 H new ATOM 0 HD1 PHE A 10 -10.932 -3.229 -3.943 1.00 53.32 H new ATOM 0 HD2 PHE A 10 -14.703 -4.108 -2.252 1.00 41.00 H new ATOM 0 HE1 PHE A 10 -10.564 -5.662 -4.385 1.00 64.43 H new ATOM 0 HE2 PHE A 10 -14.335 -6.541 -2.695 1.00 52.41 H new ATOM 0 HZ PHE A 10 -12.268 -7.288 -3.754 1.00 12.14 H new ATOM 136 N LEU A 11 -10.951 0.168 -2.574 1.00 74.13 N ATOM 137 CA LEU A 11 -9.708 0.776 -3.016 1.00 14.22 C ATOM 138 C LEU A 11 -8.946 1.311 -1.802 1.00 34.33 C ATOM 139 O LEU A 11 -7.730 1.152 -1.707 1.00 14.22 O ATOM 140 CB LEU A 11 -9.980 1.834 -4.086 1.00 42.13 C ATOM 141 CG LEU A 11 -10.423 1.308 -5.453 1.00 15.12 C ATOM 142 CD1 LEU A 11 -11.163 -0.024 -5.314 1.00 33.41 C ATOM 143 CD2 LEU A 11 -11.256 2.351 -6.199 1.00 22.23 C ATOM 0 H LEU A 11 -11.788 0.717 -2.770 1.00 74.13 H new ATOM 0 HA LEU A 11 -9.069 0.032 -3.491 1.00 14.22 H new ATOM 0 HB2 LEU A 11 -10.749 2.510 -3.713 1.00 42.13 H new ATOM 0 HB3 LEU A 11 -9.074 2.425 -4.222 1.00 42.13 H new ATOM 0 HG LEU A 11 -9.532 1.121 -6.052 1.00 15.12 H new ATOM 0 HD11 LEU A 11 -11.467 -0.376 -6.300 1.00 33.41 H new ATOM 0 HD12 LEU A 11 -10.504 -0.760 -4.853 1.00 33.41 H new ATOM 0 HD13 LEU A 11 -12.046 0.114 -4.690 1.00 33.41 H new ATOM 0 HD21 LEU A 11 -11.558 1.951 -7.167 1.00 22.23 H new ATOM 0 HD22 LEU A 11 -12.143 2.594 -5.614 1.00 22.23 H new ATOM 0 HD23 LEU A 11 -10.662 3.253 -6.348 1.00 22.23 H new ATOM 155 N ALA A 12 -9.693 1.935 -0.902 1.00 11.21 N ATOM 156 CA ALA A 12 -9.103 2.495 0.302 1.00 20.42 C ATOM 157 C ALA A 12 -8.382 1.388 1.073 1.00 63.02 C ATOM 158 O ALA A 12 -7.351 1.632 1.697 1.00 44.45 O ATOM 159 CB ALA A 12 -10.193 3.172 1.136 1.00 51.44 C ATOM 0 H ALA A 12 -10.701 2.065 -0.983 1.00 11.21 H new ATOM 0 HA ALA A 12 -8.364 3.256 0.050 1.00 20.42 H new ATOM 0 HB1 ALA A 12 -9.751 3.592 2.040 1.00 51.44 H new ATOM 0 HB2 ALA A 12 -10.655 3.969 0.553 1.00 51.44 H new ATOM 0 HB3 ALA A 12 -10.950 2.437 1.410 1.00 51.44 H new ATOM 165 N ALA A 13 -8.952 0.195 1.005 1.00 13.14 N ATOM 166 CA ALA A 13 -8.376 -0.951 1.689 1.00 1.33 C ATOM 167 C ALA A 13 -7.018 -1.281 1.066 1.00 0.10 C ATOM 168 O ALA A 13 -6.054 -1.554 1.779 1.00 41.41 O ATOM 169 CB ALA A 13 -9.350 -2.129 1.623 1.00 62.42 C ATOM 0 H ALA A 13 -9.808 -0.004 0.486 1.00 13.14 H new ATOM 0 HA ALA A 13 -8.210 -0.725 2.742 1.00 1.33 H new ATOM 0 HB1 ALA A 13 -8.917 -2.988 2.136 1.00 62.42 H new ATOM 0 HB2 ALA A 13 -10.288 -1.853 2.105 1.00 62.42 H new ATOM 0 HB3 ALA A 13 -9.540 -2.386 0.581 1.00 62.42 H new ATOM 175 N GLY A 14 -6.986 -1.246 -0.259 1.00 32.20 N ATOM 176 CA GLY A 14 -5.763 -1.539 -0.986 1.00 31.41 C ATOM 177 C GLY A 14 -4.684 -0.495 -0.687 1.00 73.30 C ATOM 178 O GLY A 14 -3.498 -0.815 -0.658 1.00 2.51 O ATOM 0 H GLY A 14 -7.788 -1.019 -0.847 1.00 32.20 H new ATOM 0 HA2 GLY A 14 -5.401 -2.530 -0.712 1.00 31.41 H new ATOM 0 HA3 GLY A 14 -5.968 -1.559 -2.056 1.00 31.41 H new ATOM 182 N SER A 15 -5.137 0.731 -0.470 1.00 65.23 N ATOM 183 CA SER A 15 -4.225 1.824 -0.173 1.00 10.44 C ATOM 184 C SER A 15 -3.378 1.479 1.053 1.00 63.33 C ATOM 185 O SER A 15 -2.213 1.866 1.135 1.00 53.10 O ATOM 186 CB SER A 15 -4.988 3.130 0.057 1.00 41.22 C ATOM 187 OG SER A 15 -4.396 3.918 1.087 1.00 30.02 O ATOM 0 H SER A 15 -6.123 0.992 -0.494 1.00 65.23 H new ATOM 0 HA SER A 15 -3.568 1.966 -1.031 1.00 10.44 H new ATOM 0 HB2 SER A 15 -5.013 3.704 -0.870 1.00 41.22 H new ATOM 0 HB3 SER A 15 -6.021 2.905 0.321 1.00 41.22 H new ATOM 0 HG SER A 15 -4.910 4.744 1.203 1.00 30.02 H new ATOM 193 N LYS A 16 -3.995 0.756 1.976 1.00 23.43 N ATOM 194 CA LYS A 16 -3.312 0.356 3.194 1.00 23.32 C ATOM 195 C LYS A 16 -2.127 -0.543 2.837 1.00 55.11 C ATOM 196 O LYS A 16 -0.979 -0.205 3.121 1.00 33.31 O ATOM 197 CB LYS A 16 -4.297 -0.284 4.174 1.00 50.05 C ATOM 198 CG LYS A 16 -5.393 0.706 4.576 1.00 73.44 C ATOM 199 CD LYS A 16 -4.899 1.659 5.667 1.00 4.30 C ATOM 200 CE LYS A 16 -5.011 1.015 7.050 1.00 10.24 C ATOM 201 NZ LYS A 16 -4.643 1.986 8.104 1.00 15.11 N ATOM 0 H LYS A 16 -4.961 0.437 1.905 1.00 23.43 H new ATOM 0 HA LYS A 16 -2.907 1.228 3.708 1.00 23.32 H new ATOM 0 HB2 LYS A 16 -4.748 -1.166 3.718 1.00 50.05 H new ATOM 0 HB3 LYS A 16 -3.764 -0.622 5.062 1.00 50.05 H new ATOM 0 HG2 LYS A 16 -5.708 1.279 3.704 1.00 73.44 H new ATOM 0 HG3 LYS A 16 -6.267 0.161 4.933 1.00 73.44 H new ATOM 0 HD2 LYS A 16 -3.862 1.934 5.473 1.00 4.30 H new ATOM 0 HD3 LYS A 16 -5.482 2.579 5.642 1.00 4.30 H new ATOM 0 HE2 LYS A 16 -6.029 0.662 7.212 1.00 10.24 H new ATOM 0 HE3 LYS A 16 -4.359 0.144 7.106 1.00 10.24 H new ATOM 0 HZ1 LYS A 16 -4.724 1.533 9.037 1.00 15.11 H new ATOM 0 HZ2 LYS A 16 -3.663 2.303 7.957 1.00 15.11 H new ATOM 0 HZ3 LYS A 16 -5.282 2.805 8.060 1.00 15.11 H new ATOM 214 N LYS A 17 -2.446 -1.671 2.220 1.00 31.04 N ATOM 215 CA LYS A 17 -1.422 -2.622 1.820 1.00 74.33 C ATOM 216 C LYS A 17 -1.608 -2.976 0.345 1.00 30.25 C ATOM 217 O LYS A 17 -0.857 -2.507 -0.510 1.00 13.11 O ATOM 218 CB LYS A 17 -1.429 -3.837 2.751 1.00 43.12 C ATOM 219 CG LYS A 17 -0.203 -3.833 3.666 1.00 1.25 C ATOM 220 CD LYS A 17 -0.393 -4.796 4.840 1.00 4.42 C ATOM 221 CE LYS A 17 -1.502 -4.310 5.775 1.00 3.22 C ATOM 222 NZ LYS A 17 -1.044 -4.340 7.181 1.00 61.13 N ATOM 0 H LYS A 17 -3.400 -1.948 1.987 1.00 31.04 H new ATOM 0 HA LYS A 17 -0.431 -2.179 1.918 1.00 74.33 H new ATOM 0 HB2 LYS A 17 -2.337 -3.833 3.354 1.00 43.12 H new ATOM 0 HB3 LYS A 17 -1.443 -4.753 2.160 1.00 43.12 H new ATOM 0 HG2 LYS A 17 0.681 -4.118 3.096 1.00 1.25 H new ATOM 0 HG3 LYS A 17 -0.029 -2.825 4.042 1.00 1.25 H new ATOM 0 HD2 LYS A 17 -0.639 -5.789 4.464 1.00 4.42 H new ATOM 0 HD3 LYS A 17 0.541 -4.887 5.395 1.00 4.42 H new ATOM 0 HE2 LYS A 17 -1.796 -3.296 5.504 1.00 3.22 H new ATOM 0 HE3 LYS A 17 -2.384 -4.939 5.660 1.00 3.22 H new ATOM 0 HZ1 LYS A 17 -1.809 -4.007 7.802 1.00 61.13 H new ATOM 0 HZ2 LYS A 17 -0.785 -5.313 7.441 1.00 61.13 H new ATOM 0 HZ3 LYS A 17 -0.215 -3.721 7.290 1.00 61.13 H new HETATM 235 C1 ACA A 18 -5.900 -8.447 -0.912 1.00 32.43 C HETATM 236 O1 ACA A 18 -4.997 -8.061 -0.173 1.00 73.11 O HETATM 237 C2 ACA A 18 -6.229 -7.210 -1.657 1.00 74.03 C HETATM 238 C3 ACA A 18 -5.194 -6.955 -2.754 1.00 5.15 C HETATM 239 C4 ACA A 18 -4.571 -5.566 -2.608 1.00 11.11 C HETATM 240 C5 ACA A 18 -3.852 -5.427 -1.265 1.00 40.33 C HETATM 241 C6 ACA A 18 -2.908 -4.222 -1.271 1.00 54.21 C HETATM 242 N6 ACA A 18 -2.613 -3.800 0.089 1.00 21.43 N HETATM 0 HN61 ACA A 18 -3.024 -4.299 0.878 1.00 21.43 H new HETATM 0 H62 ACA A 18 -1.983 -4.480 -1.787 1.00 54.21 H new HETATM 0 H61 ACA A 18 -3.362 -3.399 -1.823 1.00 54.21 H new HETATM 0 H52 ACA A 18 -4.585 -5.316 -0.466 1.00 40.33 H new HETATM 0 H51 ACA A 18 -3.287 -6.335 -1.055 1.00 40.33 H new HETATM 0 H42 ACA A 18 -3.867 -5.392 -3.421 1.00 11.11 H new HETATM 0 H41 ACA A 18 -5.347 -4.805 -2.690 1.00 11.11 H new HETATM 0 H32 ACA A 18 -4.413 -7.714 -2.706 1.00 5.15 H new HETATM 0 H31 ACA A 18 -5.666 -7.045 -3.732 1.00 5.15 H new HETATM 0 H22 ACA A 18 -7.222 -7.297 -2.098 1.00 74.03 H new HETATM 0 H21 ACA A 18 -6.258 -6.363 -0.972 1.00 74.03 H new ATOM 254 N LYS A 19 -6.989 -9.081 -0.500 1.00 55.34 N ATOM 255 CA LYS A 19 -7.194 -9.375 0.909 1.00 53.13 C ATOM 256 C LYS A 19 -6.616 -10.756 1.226 1.00 13.33 C ATOM 257 O LYS A 19 -5.657 -11.193 0.592 1.00 61.04 O ATOM 258 CB LYS A 19 -8.671 -9.228 1.277 1.00 23.44 C ATOM 259 CG LYS A 19 -9.244 -7.919 0.729 1.00 61.50 C ATOM 260 CD LYS A 19 -10.498 -7.503 1.502 1.00 64.32 C ATOM 261 CE LYS A 19 -10.127 -6.794 2.806 1.00 75.24 C ATOM 262 NZ LYS A 19 -9.654 -5.419 2.533 1.00 21.41 N ATOM 0 HA LYS A 19 -6.661 -8.655 1.530 1.00 53.13 H new ATOM 0 HB2 LYS A 19 -9.235 -10.071 0.878 1.00 23.44 H new ATOM 0 HB3 LYS A 19 -8.784 -9.253 2.361 1.00 23.44 H new ATOM 0 HG2 LYS A 19 -8.493 -7.132 0.797 1.00 61.50 H new ATOM 0 HG3 LYS A 19 -9.486 -8.038 -0.327 1.00 61.50 H new ATOM 0 HD2 LYS A 19 -11.108 -6.843 0.885 1.00 64.32 H new ATOM 0 HD3 LYS A 19 -11.103 -8.383 1.721 1.00 64.32 H new ATOM 0 HE2 LYS A 19 -10.992 -6.762 3.468 1.00 75.24 H new ATOM 0 HE3 LYS A 19 -9.350 -7.356 3.324 1.00 75.24 H new ATOM 0 HZ1 LYS A 19 -9.649 -4.872 3.417 1.00 21.41 H new ATOM 0 HZ2 LYS A 19 -8.691 -5.454 2.142 1.00 21.41 H new ATOM 0 HZ3 LYS A 19 -10.289 -4.963 1.847 1.00 21.41 H new ATOM 275 N ASN A 20 -7.226 -11.407 2.207 1.00 65.42 N ATOM 276 CA ASN A 20 -6.785 -12.729 2.616 1.00 73.04 C ATOM 277 C ASN A 20 -6.825 -13.670 1.411 1.00 12.30 C ATOM 278 O ASN A 20 -7.609 -13.467 0.485 1.00 31.52 O ATOM 279 CB ASN A 20 -7.700 -13.305 3.698 1.00 72.33 C ATOM 280 CG ASN A 20 -6.888 -13.806 4.894 1.00 55.20 C ATOM 281 OD1 ASN A 20 -5.888 -14.492 4.755 1.00 24.41 O ATOM 282 ND2 ASN A 20 -7.372 -13.428 6.073 1.00 14.45 N ATOM 0 H ASN A 20 -8.022 -11.042 2.730 1.00 65.42 H new ATOM 0 HA ASN A 20 -5.773 -12.640 3.011 1.00 73.04 H new ATOM 0 HB2 ASN A 20 -8.405 -12.542 4.027 1.00 72.33 H new ATOM 0 HB3 ASN A 20 -8.287 -14.124 3.284 1.00 72.33 H new ATOM 0 HD21 ASN A 20 -6.902 -13.712 6.932 1.00 14.45 H new ATOM 0 HD22 ASN A 20 -8.214 -12.854 6.118 1.00 14.45 H new ATOM 289 N GLU A 21 -5.971 -14.682 1.462 1.00 43.22 N ATOM 290 CA GLU A 21 -5.900 -15.657 0.387 1.00 23.11 C ATOM 291 C GLU A 21 -7.265 -16.314 0.175 1.00 5.10 C ATOM 292 O GLU A 21 -7.552 -16.822 -0.909 1.00 11.40 O ATOM 293 CB GLU A 21 -4.823 -16.707 0.668 1.00 62.23 C ATOM 294 CG GLU A 21 -5.330 -17.761 1.654 1.00 12.11 C ATOM 295 CD GLU A 21 -4.167 -18.545 2.264 1.00 12.43 C ATOM 296 OE1 GLU A 21 -3.381 -17.984 3.040 1.00 15.42 O ATOM 297 OE2 GLU A 21 -4.097 -19.783 1.905 1.00 12.42 O ATOM 0 H GLU A 21 -5.322 -14.848 2.231 1.00 43.22 H new ATOM 0 HA GLU A 21 -5.623 -15.137 -0.530 1.00 23.11 H new ATOM 0 HB2 GLU A 21 -4.527 -17.188 -0.264 1.00 62.23 H new ATOM 0 HB3 GLU A 21 -3.934 -16.223 1.073 1.00 62.23 H new ATOM 0 HG2 GLU A 21 -5.903 -17.278 2.446 1.00 12.11 H new ATOM 0 HG3 GLU A 21 -6.007 -18.446 1.144 1.00 12.11 H new ATOM 305 N GLN A 22 -8.071 -16.282 1.225 1.00 32.02 N ATOM 306 CA GLN A 22 -9.399 -16.869 1.168 1.00 2.14 C ATOM 307 C GLN A 22 -10.102 -16.465 -0.130 1.00 61.24 C ATOM 308 O GLN A 22 -10.585 -17.320 -0.871 1.00 50.10 O ATOM 309 CB GLN A 22 -10.229 -16.467 2.389 1.00 4.15 C ATOM 310 CG GLN A 22 -9.864 -17.321 3.605 1.00 21.25 C ATOM 311 CD GLN A 22 -9.450 -16.442 4.786 1.00 51.23 C ATOM 312 OE1 GLN A 22 -10.267 -15.830 5.455 1.00 45.51 O ATOM 313 NE2 GLN A 22 -8.138 -16.415 5.006 1.00 23.23 N ATOM 0 H GLN A 22 -7.830 -15.858 2.121 1.00 32.02 H new ATOM 0 HA GLN A 22 -9.297 -17.954 1.181 1.00 2.14 H new ATOM 0 HB2 GLN A 22 -10.062 -15.414 2.616 1.00 4.15 H new ATOM 0 HB3 GLN A 22 -11.290 -16.580 2.166 1.00 4.15 H new ATOM 0 HG2 GLN A 22 -10.715 -17.940 3.888 1.00 21.25 H new ATOM 0 HG3 GLN A 22 -9.049 -17.998 3.347 1.00 21.25 H new ATOM 0 HE21 GLN A 22 -7.509 -16.951 4.408 1.00 23.23 H new ATOM 0 HE22 GLN A 22 -7.761 -15.858 5.773 1.00 23.23 H new ATOM 322 N GLU A 23 -10.137 -15.162 -0.366 1.00 44.42 N ATOM 323 CA GLU A 23 -10.773 -14.634 -1.561 1.00 44.43 C ATOM 324 C GLU A 23 -10.264 -15.371 -2.802 1.00 3.20 C ATOM 325 O GLU A 23 -11.054 -15.792 -3.646 1.00 41.25 O ATOM 326 CB GLU A 23 -10.541 -13.127 -1.686 1.00 22.21 C ATOM 327 CG GLU A 23 -11.419 -12.527 -2.786 1.00 74.33 C ATOM 328 CD GLU A 23 -10.608 -12.273 -4.058 1.00 53.21 C ATOM 329 OE1 GLU A 23 -10.817 -11.255 -4.735 1.00 15.31 O ATOM 330 OE2 GLU A 23 -9.732 -13.179 -4.336 1.00 53.15 O ATOM 0 H GLU A 23 -9.735 -14.456 0.250 1.00 44.42 H new ATOM 0 HA GLU A 23 -11.848 -14.797 -1.479 1.00 44.43 H new ATOM 0 HB2 GLU A 23 -10.760 -12.641 -0.735 1.00 22.21 H new ATOM 0 HB3 GLU A 23 -9.491 -12.934 -1.908 1.00 22.21 H new ATOM 0 HG2 GLU A 23 -12.245 -13.203 -3.006 1.00 74.33 H new ATOM 0 HG3 GLU A 23 -11.857 -11.592 -2.437 1.00 74.33 H new ATOM 338 N LEU A 24 -8.947 -15.506 -2.874 1.00 70.33 N ATOM 339 CA LEU A 24 -8.324 -16.185 -3.996 1.00 5.13 C ATOM 340 C LEU A 24 -9.078 -17.485 -4.283 1.00 61.00 C ATOM 341 O LEU A 24 -9.588 -17.681 -5.384 1.00 21.55 O ATOM 342 CB LEU A 24 -6.829 -16.384 -3.740 1.00 24.21 C ATOM 343 CG LEU A 24 -5.885 -15.813 -4.800 1.00 53.30 C ATOM 344 CD1 LEU A 24 -5.866 -16.695 -6.050 1.00 32.04 C ATOM 345 CD2 LEU A 24 -6.241 -14.361 -5.127 1.00 53.24 C ATOM 0 H LEU A 24 -8.295 -15.156 -2.172 1.00 70.33 H new ATOM 0 HA LEU A 24 -8.390 -15.573 -4.895 1.00 5.13 H new ATOM 0 HB2 LEU A 24 -6.582 -15.931 -2.780 1.00 24.21 H new ATOM 0 HB3 LEU A 24 -6.636 -17.453 -3.648 1.00 24.21 H new ATOM 0 HG LEU A 24 -4.874 -15.812 -4.392 1.00 53.30 H new ATOM 0 HD11 LEU A 24 -5.187 -16.266 -6.787 1.00 32.04 H new ATOM 0 HD12 LEU A 24 -5.527 -17.696 -5.784 1.00 32.04 H new ATOM 0 HD13 LEU A 24 -6.870 -16.752 -6.471 1.00 32.04 H new ATOM 0 HD21 LEU A 24 -5.555 -13.979 -5.883 1.00 53.24 H new ATOM 0 HD22 LEU A 24 -7.262 -14.313 -5.506 1.00 53.24 H new ATOM 0 HD23 LEU A 24 -6.161 -13.755 -4.225 1.00 53.24 H new ATOM 357 N LEU A 25 -9.123 -18.340 -3.272 1.00 53.14 N ATOM 358 CA LEU A 25 -9.806 -19.616 -3.401 1.00 41.33 C ATOM 359 C LEU A 25 -11.235 -19.378 -3.891 1.00 23.50 C ATOM 360 O LEU A 25 -11.757 -20.151 -4.693 1.00 20.42 O ATOM 361 CB LEU A 25 -9.728 -20.401 -2.090 1.00 63.10 C ATOM 362 CG LEU A 25 -8.323 -20.794 -1.626 1.00 61.55 C ATOM 363 CD1 LEU A 25 -7.344 -20.815 -2.801 1.00 53.02 C ATOM 364 CD2 LEU A 25 -7.844 -19.880 -0.496 1.00 20.12 C ATOM 0 H LEU A 25 -8.698 -18.174 -2.360 1.00 53.14 H new ATOM 0 HA LEU A 25 -9.312 -20.238 -4.148 1.00 41.33 H new ATOM 0 HB2 LEU A 25 -10.195 -19.806 -1.305 1.00 63.10 H new ATOM 0 HB3 LEU A 25 -10.321 -21.309 -2.198 1.00 63.10 H new ATOM 0 HG LEU A 25 -8.366 -21.807 -1.225 1.00 61.55 H new ATOM 0 HD11 LEU A 25 -6.353 -21.097 -2.444 1.00 53.02 H new ATOM 0 HD12 LEU A 25 -7.682 -21.538 -3.543 1.00 53.02 H new ATOM 0 HD13 LEU A 25 -7.298 -19.825 -3.254 1.00 53.02 H new ATOM 0 HD21 LEU A 25 -6.844 -20.180 -0.184 1.00 20.12 H new ATOM 0 HD22 LEU A 25 -7.820 -18.849 -0.848 1.00 20.12 H new ATOM 0 HD23 LEU A 25 -8.527 -19.959 0.350 1.00 20.12 H new ATOM 376 N GLU A 26 -11.828 -18.304 -3.388 1.00 14.52 N ATOM 377 CA GLU A 26 -13.187 -17.955 -3.764 1.00 65.13 C ATOM 378 C GLU A 26 -13.303 -17.835 -5.285 1.00 41.44 C ATOM 379 O GLU A 26 -14.257 -18.333 -5.880 1.00 60.22 O ATOM 380 CB GLU A 26 -13.630 -16.662 -3.076 1.00 21.14 C ATOM 381 CG GLU A 26 -14.967 -16.854 -2.358 1.00 1.21 C ATOM 382 CD GLU A 26 -14.827 -17.832 -1.190 1.00 43.12 C ATOM 383 OE1 GLU A 26 -13.700 -18.151 -0.781 1.00 1.25 O ATOM 384 OE2 GLU A 26 -15.940 -18.264 -0.703 1.00 54.31 O ATOM 0 H GLU A 26 -11.392 -17.665 -2.724 1.00 14.52 H new ATOM 0 HA GLU A 26 -13.852 -18.752 -3.431 1.00 65.13 H new ATOM 0 HB2 GLU A 26 -12.870 -16.348 -2.360 1.00 21.14 H new ATOM 0 HB3 GLU A 26 -13.721 -15.865 -3.814 1.00 21.14 H new ATOM 0 HG2 GLU A 26 -15.328 -15.893 -1.991 1.00 1.21 H new ATOM 0 HG3 GLU A 26 -15.711 -17.227 -3.062 1.00 1.21 H new ATOM 392 N LEU A 27 -12.318 -17.171 -5.871 1.00 42.25 N ATOM 393 CA LEU A 27 -12.296 -16.980 -7.310 1.00 4.22 C ATOM 394 C LEU A 27 -11.831 -18.271 -7.986 1.00 1.34 C ATOM 395 O LEU A 27 -12.196 -18.545 -9.129 1.00 32.02 O ATOM 396 CB LEU A 27 -11.453 -15.756 -7.676 1.00 2.43 C ATOM 397 CG LEU A 27 -12.007 -14.403 -7.231 1.00 65.44 C ATOM 398 CD1 LEU A 27 -12.574 -13.624 -8.419 1.00 24.35 C ATOM 399 CD2 LEU A 27 -13.037 -14.572 -6.112 1.00 3.12 C ATOM 0 H LEU A 27 -11.529 -16.758 -5.374 1.00 42.25 H new ATOM 0 HA LEU A 27 -13.299 -16.770 -7.681 1.00 4.22 H new ATOM 0 HB2 LEU A 27 -10.461 -15.880 -7.242 1.00 2.43 H new ATOM 0 HB3 LEU A 27 -11.328 -15.737 -8.759 1.00 2.43 H new ATOM 0 HG LEU A 27 -11.184 -13.815 -6.824 1.00 65.44 H new ATOM 0 HD11 LEU A 27 -12.961 -12.665 -8.074 1.00 24.35 H new ATOM 0 HD12 LEU A 27 -11.786 -13.454 -9.152 1.00 24.35 H new ATOM 0 HD13 LEU A 27 -13.380 -14.197 -8.879 1.00 24.35 H new ATOM 0 HD21 LEU A 27 -13.415 -13.594 -5.814 1.00 3.12 H new ATOM 0 HD22 LEU A 27 -13.863 -15.187 -6.468 1.00 3.12 H new ATOM 0 HD23 LEU A 27 -12.568 -15.055 -5.255 1.00 3.12 H new ATOM 411 N ASP A 28 -11.033 -19.032 -7.251 1.00 63.41 N ATOM 412 CA ASP A 28 -10.515 -20.288 -7.765 1.00 43.52 C ATOM 413 C ASP A 28 -11.679 -21.242 -8.038 1.00 75.20 C ATOM 414 O ASP A 28 -11.540 -22.192 -8.806 1.00 15.04 O ATOM 415 CB ASP A 28 -9.584 -20.956 -6.751 1.00 62.54 C ATOM 416 CG ASP A 28 -8.726 -22.092 -7.311 1.00 64.15 C ATOM 417 OD1 ASP A 28 -7.647 -21.858 -7.877 1.00 11.10 O ATOM 418 OD2 ASP A 28 -9.211 -23.274 -7.145 1.00 2.23 O ATOM 0 H ASP A 28 -10.733 -18.803 -6.304 1.00 63.41 H new ATOM 0 HA ASP A 28 -9.960 -20.075 -8.679 1.00 43.52 H new ATOM 0 HB2 ASP A 28 -8.925 -20.197 -6.330 1.00 62.54 H new ATOM 0 HB3 ASP A 28 -10.186 -21.346 -5.930 1.00 62.54 H new ATOM 424 N LYS A 29 -12.800 -20.955 -7.392 1.00 12.25 N ATOM 425 CA LYS A 29 -13.988 -21.775 -7.556 1.00 35.13 C ATOM 426 C LYS A 29 -14.670 -21.422 -8.879 1.00 21.30 C ATOM 427 O LYS A 29 -15.693 -22.008 -9.230 1.00 63.23 O ATOM 428 CB LYS A 29 -14.903 -21.642 -6.337 1.00 33.53 C ATOM 429 CG LYS A 29 -14.633 -22.756 -5.323 1.00 22.13 C ATOM 430 CD LYS A 29 -13.312 -22.521 -4.589 1.00 43.21 C ATOM 431 CE LYS A 29 -13.048 -23.628 -3.568 1.00 12.31 C ATOM 432 NZ LYS A 29 -13.982 -23.514 -2.425 1.00 2.34 N ATOM 0 H LYS A 29 -12.910 -20.166 -6.754 1.00 12.25 H new ATOM 0 HA LYS A 29 -13.718 -22.830 -7.610 1.00 35.13 H new ATOM 0 HB2 LYS A 29 -14.748 -20.671 -5.866 1.00 33.53 H new ATOM 0 HB3 LYS A 29 -15.945 -21.679 -6.654 1.00 33.53 H new ATOM 0 HG2 LYS A 29 -15.450 -22.803 -4.603 1.00 22.13 H new ATOM 0 HG3 LYS A 29 -14.603 -23.718 -5.834 1.00 22.13 H new ATOM 0 HD2 LYS A 29 -12.494 -22.482 -5.308 1.00 43.21 H new ATOM 0 HD3 LYS A 29 -13.339 -21.555 -4.085 1.00 43.21 H new ATOM 0 HE2 LYS A 29 -13.162 -24.603 -4.042 1.00 12.31 H new ATOM 0 HE3 LYS A 29 -12.020 -23.565 -3.212 1.00 12.31 H new ATOM 0 HZ1 LYS A 29 -13.674 -24.148 -1.660 1.00 2.34 H new ATOM 0 HZ2 LYS A 29 -13.989 -22.533 -2.079 1.00 2.34 H new ATOM 0 HZ3 LYS A 29 -14.940 -23.780 -2.731 1.00 2.34 H new ATOM 445 N TRP A 30 -14.076 -20.465 -9.576 1.00 22.31 N ATOM 446 CA TRP A 30 -14.613 -20.025 -10.853 1.00 52.43 C ATOM 447 C TRP A 30 -15.068 -21.265 -11.626 1.00 31.32 C ATOM 448 O TRP A 30 -16.190 -21.310 -12.127 1.00 32.41 O ATOM 449 CB TRP A 30 -13.589 -19.186 -11.619 1.00 42.34 C ATOM 450 CG TRP A 30 -13.659 -17.688 -11.313 1.00 41.34 C ATOM 451 CD1 TRP A 30 -12.654 -16.868 -10.977 1.00 64.44 C ATOM 452 CD2 TRP A 30 -14.841 -16.861 -11.330 1.00 14.40 C ATOM 453 NE1 TRP A 30 -13.101 -15.577 -10.777 1.00 54.23 N ATOM 454 CE2 TRP A 30 -14.473 -15.573 -10.999 1.00 72.24 C ATOM 455 CE3 TRP A 30 -16.177 -17.190 -11.617 1.00 32.41 C ATOM 456 CZ2 TRP A 30 -15.382 -14.512 -10.921 1.00 62.22 C ATOM 457 CZ3 TRP A 30 -17.074 -16.118 -11.536 1.00 73.31 C ATOM 458 CH2 TRP A 30 -16.719 -14.816 -11.202 1.00 23.03 C ATOM 0 H TRP A 30 -13.228 -19.982 -9.281 1.00 22.31 H new ATOM 0 HA TRP A 30 -15.472 -19.371 -10.705 1.00 52.43 H new ATOM 0 HB2 TRP A 30 -12.588 -19.548 -11.383 1.00 42.34 H new ATOM 0 HB3 TRP A 30 -13.739 -19.336 -12.688 1.00 42.34 H new ATOM 0 HD1 TRP A 30 -11.624 -17.178 -10.875 1.00 64.44 H new ATOM 0 HE1 TRP A 30 -12.529 -14.774 -10.515 1.00 54.23 H new ATOM 0 HE3 TRP A 30 -16.487 -18.191 -11.879 1.00 32.41 H new ATOM 0 HZ2 TRP A 30 -15.069 -13.512 -10.658 1.00 62.22 H new ATOM 0 HZ3 TRP A 30 -18.114 -16.316 -11.748 1.00 73.31 H new ATOM 0 HH2 TRP A 30 -17.472 -14.043 -11.160 1.00 23.03 H new ATOM 469 N ALA A 31 -14.174 -22.239 -11.698 1.00 32.00 N ATOM 470 CA ALA A 31 -14.470 -23.476 -12.401 1.00 33.21 C ATOM 471 C ALA A 31 -15.582 -24.224 -11.663 1.00 42.44 C ATOM 472 O ALA A 31 -16.546 -24.677 -12.279 1.00 62.45 O ATOM 473 CB ALA A 31 -13.192 -24.309 -12.529 1.00 32.23 C ATOM 0 H ALA A 31 -13.244 -22.197 -11.281 1.00 32.00 H new ATOM 0 HA ALA A 31 -14.826 -23.268 -13.410 1.00 33.21 H new ATOM 0 HB1 ALA A 31 -13.414 -25.237 -13.056 1.00 32.23 H new ATOM 0 HB2 ALA A 31 -12.444 -23.745 -13.086 1.00 32.23 H new ATOM 0 HB3 ALA A 31 -12.807 -24.539 -11.536 1.00 32.23 H new ATOM 479 N SER A 32 -15.411 -24.331 -10.353 1.00 31.32 N ATOM 480 CA SER A 32 -16.388 -25.016 -9.525 1.00 51.41 C ATOM 481 C SER A 32 -17.804 -24.601 -9.932 1.00 50.44 C ATOM 482 O SER A 32 -18.749 -25.373 -9.778 1.00 44.12 O ATOM 483 CB SER A 32 -16.155 -24.723 -8.041 1.00 11.14 C ATOM 484 OG SER A 32 -17.004 -23.684 -7.563 1.00 62.22 O ATOM 0 H SER A 32 -14.610 -23.955 -9.845 1.00 31.32 H new ATOM 0 HA SER A 32 -16.273 -26.089 -9.678 1.00 51.41 H new ATOM 0 HB2 SER A 32 -16.329 -25.629 -7.461 1.00 11.14 H new ATOM 0 HB3 SER A 32 -15.114 -24.440 -7.886 1.00 11.14 H new ATOM 0 HG SER A 32 -16.886 -22.884 -8.117 1.00 62.22 H new ATOM 490 N LEU A 33 -17.903 -23.383 -10.444 1.00 34.41 N ATOM 491 CA LEU A 33 -19.187 -22.856 -10.874 1.00 30.34 C ATOM 492 C LEU A 33 -19.858 -23.861 -11.812 1.00 12.21 C ATOM 493 O LEU A 33 -20.994 -24.272 -11.578 1.00 31.20 O ATOM 494 CB LEU A 33 -19.017 -21.463 -11.486 1.00 54.52 C ATOM 495 CG LEU A 33 -20.305 -20.758 -11.914 1.00 62.21 C ATOM 496 CD1 LEU A 33 -21.351 -20.799 -10.798 1.00 12.40 C ATOM 497 CD2 LEU A 33 -20.018 -19.328 -12.377 1.00 43.44 C ATOM 0 H LEU A 33 -17.116 -22.747 -10.571 1.00 34.41 H new ATOM 0 HA LEU A 33 -19.850 -22.725 -10.019 1.00 30.34 H new ATOM 0 HB2 LEU A 33 -18.503 -20.830 -10.763 1.00 54.52 H new ATOM 0 HB3 LEU A 33 -18.366 -21.547 -12.356 1.00 54.52 H new ATOM 0 HG LEU A 33 -20.722 -21.296 -12.765 1.00 62.21 H new ATOM 0 HD11 LEU A 33 -22.257 -20.291 -11.129 1.00 12.40 H new ATOM 0 HD12 LEU A 33 -21.585 -21.836 -10.556 1.00 12.40 H new ATOM 0 HD13 LEU A 33 -20.958 -20.300 -9.912 1.00 12.40 H new ATOM 0 HD21 LEU A 33 -20.950 -18.848 -12.676 1.00 43.44 H new ATOM 0 HD22 LEU A 33 -19.566 -18.765 -11.560 1.00 43.44 H new ATOM 0 HD23 LEU A 33 -19.333 -19.351 -13.225 1.00 43.44 H new ATOM 509 N TRP A 34 -19.127 -24.230 -12.854 1.00 32.21 N ATOM 510 CA TRP A 34 -19.637 -25.179 -13.828 1.00 14.41 C ATOM 511 C TRP A 34 -19.031 -26.549 -13.515 1.00 2.02 C ATOM 512 O TRP A 34 -19.757 -27.521 -13.310 1.00 62.52 O ATOM 513 CB TRP A 34 -19.348 -24.710 -15.255 1.00 71.31 C ATOM 514 CG TRP A 34 -17.862 -24.488 -15.549 1.00 33.22 C ATOM 515 CD1 TRP A 34 -16.981 -25.363 -16.050 1.00 13.11 C ATOM 516 CD2 TRP A 34 -17.117 -23.270 -15.336 1.00 12.14 C ATOM 517 NE1 TRP A 34 -15.727 -24.801 -16.175 1.00 5.45 N ATOM 518 CE2 TRP A 34 -15.812 -23.488 -15.729 1.00 35.42 C ATOM 519 CE3 TRP A 34 -17.532 -22.027 -14.829 1.00 65.22 C ATOM 520 CZ2 TRP A 34 -14.816 -22.508 -15.655 1.00 53.24 C ATOM 521 CZ3 TRP A 34 -16.524 -21.057 -14.762 1.00 23.51 C ATOM 522 CH2 TRP A 34 -15.206 -21.260 -15.153 1.00 41.45 C ATOM 0 H TRP A 34 -18.185 -23.888 -13.045 1.00 32.21 H new ATOM 0 HA TRP A 34 -20.722 -25.254 -13.761 1.00 14.41 H new ATOM 0 HB2 TRP A 34 -19.740 -25.448 -15.955 1.00 71.31 H new ATOM 0 HB3 TRP A 34 -19.887 -23.780 -15.437 1.00 71.31 H new ATOM 0 HD1 TRP A 34 -17.222 -26.380 -16.322 1.00 13.11 H new ATOM 0 HE1 TRP A 34 -14.891 -25.265 -16.530 1.00 5.45 H new ATOM 0 HE3 TRP A 34 -18.548 -21.835 -14.516 1.00 65.22 H new ATOM 0 HZ2 TRP A 34 -13.801 -22.703 -15.968 1.00 53.24 H new ATOM 0 HZ3 TRP A 34 -16.790 -20.083 -14.380 1.00 23.51 H new ATOM 0 HH2 TRP A 34 -14.486 -20.459 -15.070 1.00 41.45 H new ATOM 533 N ASN A 35 -17.707 -26.583 -13.489 1.00 25.30 N ATOM 534 CA ASN A 35 -16.995 -27.817 -13.205 1.00 73.32 C ATOM 535 C ASN A 35 -17.592 -28.950 -14.043 1.00 62.13 C ATOM 536 O ASN A 35 -17.297 -30.121 -13.811 1.00 53.44 O ATOM 537 CB ASN A 35 -17.127 -28.201 -11.729 1.00 1.30 C ATOM 538 CG ASN A 35 -16.038 -29.197 -11.323 1.00 75.21 C ATOM 539 OD1 ASN A 35 -16.245 -30.399 -11.276 1.00 62.41 O ATOM 540 ND2 ASN A 35 -14.869 -28.632 -11.032 1.00 32.44 N ATOM 0 H ASN A 35 -17.108 -25.775 -13.660 1.00 25.30 H new ATOM 0 HA ASN A 35 -15.943 -27.663 -13.446 1.00 73.32 H new ATOM 0 HB2 ASN A 35 -17.057 -27.307 -11.109 1.00 1.30 H new ATOM 0 HB3 ASN A 35 -18.110 -28.637 -11.549 1.00 1.30 H new ATOM 0 HD21 ASN A 35 -14.079 -29.212 -10.749 1.00 32.44 H new ATOM 0 HD22 ASN A 35 -14.763 -27.619 -11.092 1.00 32.44 H new TER 547 ASN A 35