USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 150:sc= -0.149 (180deg=-1.58!) 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= -1.1 K(o=-1.1,f=-2.1!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 92:sc= 0.0108 USER MOD Single : A 35 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.624 -0.220 -4.441 1.00 33.55 N ATOM 2 CA GLY A 1 -26.244 -0.316 -3.130 1.00 34.32 C ATOM 3 C GLY A 1 -25.191 -0.536 -2.042 1.00 32.20 C ATOM 4 O GLY A 1 -24.465 0.387 -1.680 1.00 2.22 O ATOM 0 H1 GLY A 1 -26.284 -0.573 -5.164 1.00 33.55 H new ATOM 0 H2 GLY A 1 -25.389 0.773 -4.642 1.00 33.55 H new ATOM 0 H3 GLY A 1 -24.755 -0.791 -4.457 1.00 33.55 H new ATOM 0 HA2 GLY A 1 -26.804 0.595 -2.921 1.00 34.32 H new ATOM 0 HA3 GLY A 1 -26.959 -1.139 -3.121 1.00 34.32 H new ATOM 8 N ILE A 2 -25.142 -1.766 -1.550 1.00 31.52 N ATOM 9 CA ILE A 2 -24.191 -2.120 -0.510 1.00 32.05 C ATOM 10 C ILE A 2 -22.872 -2.547 -1.157 1.00 63.35 C ATOM 11 O ILE A 2 -21.804 -2.363 -0.576 1.00 63.20 O ATOM 12 CB ILE A 2 -24.788 -3.172 0.425 1.00 41.31 C ATOM 13 CG1 ILE A 2 -24.433 -4.586 -0.042 1.00 45.12 C ATOM 14 CG2 ILE A 2 -26.298 -2.980 0.576 1.00 61.33 C ATOM 15 CD1 ILE A 2 -23.141 -5.073 0.617 1.00 63.44 C ATOM 0 H ILE A 2 -25.746 -2.530 -1.853 1.00 31.52 H new ATOM 0 HA ILE A 2 -23.973 -1.257 0.119 1.00 32.05 H new ATOM 0 HB ILE A 2 -24.347 -3.039 1.413 1.00 41.31 H new ATOM 0 HG12 ILE A 2 -25.248 -5.268 0.200 1.00 45.12 H new ATOM 0 HG13 ILE A 2 -24.319 -4.597 -1.126 1.00 45.12 H new ATOM 0 HG21 ILE A 2 -26.696 -3.742 1.246 1.00 61.33 H new ATOM 0 HG22 ILE A 2 -26.500 -1.992 0.989 1.00 61.33 H new ATOM 0 HG23 ILE A 2 -26.776 -3.070 -0.400 1.00 61.33 H new ATOM 0 HD11 ILE A 2 -22.912 -6.080 0.268 1.00 63.44 H new ATOM 0 HD12 ILE A 2 -22.323 -4.403 0.353 1.00 63.44 H new ATOM 0 HD13 ILE A 2 -23.267 -5.084 1.700 1.00 63.44 H new ATOM 27 N GLY A 3 -22.990 -3.111 -2.350 1.00 42.31 N ATOM 28 CA GLY A 3 -21.819 -3.567 -3.081 1.00 23.33 C ATOM 29 C GLY A 3 -21.157 -2.409 -3.830 1.00 72.11 C ATOM 30 O GLY A 3 -19.959 -2.450 -4.107 1.00 43.52 O ATOM 0 H GLY A 3 -23.878 -3.263 -2.829 1.00 42.31 H new ATOM 0 HA2 GLY A 3 -21.105 -4.013 -2.389 1.00 23.33 H new ATOM 0 HA3 GLY A 3 -22.107 -4.345 -3.788 1.00 23.33 H new ATOM 34 N ALA A 4 -21.964 -1.405 -4.138 1.00 20.41 N ATOM 35 CA ALA A 4 -21.471 -0.239 -4.850 1.00 74.12 C ATOM 36 C ALA A 4 -20.557 0.568 -3.926 1.00 23.34 C ATOM 37 O ALA A 4 -19.442 0.923 -4.305 1.00 42.14 O ATOM 38 CB ALA A 4 -22.653 0.583 -5.365 1.00 24.31 C ATOM 0 H ALA A 4 -22.957 -1.375 -3.907 1.00 20.41 H new ATOM 0 HA ALA A 4 -20.882 -0.539 -5.717 1.00 74.12 H new ATOM 0 HB1 ALA A 4 -22.282 1.458 -5.899 1.00 24.31 H new ATOM 0 HB2 ALA A 4 -23.254 -0.027 -6.040 1.00 24.31 H new ATOM 0 HB3 ALA A 4 -23.267 0.905 -4.524 1.00 24.31 H new ATOM 44 N LEU A 5 -21.065 0.837 -2.731 1.00 32.31 N ATOM 45 CA LEU A 5 -20.308 1.596 -1.750 1.00 30.24 C ATOM 46 C LEU A 5 -19.091 0.781 -1.310 1.00 62.13 C ATOM 47 O LEU A 5 -18.009 1.332 -1.112 1.00 23.31 O ATOM 48 CB LEU A 5 -21.212 2.026 -0.593 1.00 24.25 C ATOM 49 CG LEU A 5 -21.153 3.506 -0.210 1.00 55.20 C ATOM 50 CD1 LEU A 5 -22.086 3.807 0.964 1.00 70.14 C ATOM 51 CD2 LEU A 5 -19.713 3.940 0.076 1.00 24.13 C ATOM 0 H LEU A 5 -21.991 0.543 -2.421 1.00 32.31 H new ATOM 0 HA LEU A 5 -19.931 2.519 -2.190 1.00 30.24 H new ATOM 0 HB2 LEU A 5 -22.242 1.779 -0.851 1.00 24.25 H new ATOM 0 HB3 LEU A 5 -20.952 1.433 0.284 1.00 24.25 H new ATOM 0 HG LEU A 5 -21.505 4.093 -1.058 1.00 55.20 H new ATOM 0 HD11 LEU A 5 -22.024 4.866 1.216 1.00 70.14 H new ATOM 0 HD12 LEU A 5 -23.111 3.559 0.687 1.00 70.14 H new ATOM 0 HD13 LEU A 5 -21.789 3.211 1.827 1.00 70.14 H new ATOM 0 HD21 LEU A 5 -19.698 4.996 0.346 1.00 24.13 H new ATOM 0 HD22 LEU A 5 -19.312 3.349 0.899 1.00 24.13 H new ATOM 0 HD23 LEU A 5 -19.103 3.784 -0.814 1.00 24.13 H new ATOM 63 N PHE A 6 -19.307 -0.518 -1.168 1.00 24.40 N ATOM 64 CA PHE A 6 -18.242 -1.414 -0.754 1.00 73.00 C ATOM 65 C PHE A 6 -16.957 -1.135 -1.535 1.00 14.10 C ATOM 66 O PHE A 6 -15.870 -1.107 -0.959 1.00 12.25 O ATOM 67 CB PHE A 6 -18.711 -2.838 -1.059 1.00 73.33 C ATOM 68 CG PHE A 6 -17.576 -3.810 -1.389 1.00 51.13 C ATOM 69 CD1 PHE A 6 -17.486 -4.355 -2.632 1.00 2.52 C ATOM 70 CD2 PHE A 6 -16.657 -4.130 -0.439 1.00 52.42 C ATOM 71 CE1 PHE A 6 -16.433 -5.256 -2.938 1.00 44.32 C ATOM 72 CE2 PHE A 6 -15.604 -5.032 -0.744 1.00 1.34 C ATOM 73 CZ PHE A 6 -15.513 -5.576 -1.988 1.00 63.31 C ATOM 0 H PHE A 6 -20.206 -0.972 -1.333 1.00 24.40 H new ATOM 0 HA PHE A 6 -18.029 -1.274 0.306 1.00 73.00 H new ATOM 0 HB2 PHE A 6 -19.264 -3.219 -0.200 1.00 73.33 H new ATOM 0 HB3 PHE A 6 -19.406 -2.809 -1.898 1.00 73.33 H new ATOM 0 HD1 PHE A 6 -18.216 -4.102 -3.386 1.00 2.52 H new ATOM 0 HD2 PHE A 6 -16.728 -3.698 0.548 1.00 52.42 H new ATOM 0 HE1 PHE A 6 -16.362 -5.688 -3.925 1.00 44.32 H new ATOM 0 HE2 PHE A 6 -14.875 -5.286 0.011 1.00 1.34 H new ATOM 0 HZ PHE A 6 -14.711 -6.261 -2.221 1.00 63.31 H new ATOM 83 N LEU A 7 -17.123 -0.937 -2.834 1.00 0.32 N ATOM 84 CA LEU A 7 -15.990 -0.661 -3.700 1.00 13.45 C ATOM 85 C LEU A 7 -15.255 0.581 -3.191 1.00 12.34 C ATOM 86 O LEU A 7 -14.025 0.608 -3.155 1.00 23.45 O ATOM 87 CB LEU A 7 -16.442 -0.552 -5.158 1.00 70.34 C ATOM 88 CG LEU A 7 -15.329 -0.408 -6.198 1.00 45.41 C ATOM 89 CD1 LEU A 7 -15.300 -1.612 -7.140 1.00 11.35 C ATOM 90 CD2 LEU A 7 -15.458 0.913 -6.958 1.00 10.42 C ATOM 0 H LEU A 7 -18.026 -0.962 -3.308 1.00 0.32 H new ATOM 0 HA LEU A 7 -15.280 -1.488 -3.671 1.00 13.45 H new ATOM 0 HB2 LEU A 7 -17.028 -1.438 -5.403 1.00 70.34 H new ATOM 0 HB3 LEU A 7 -17.109 0.306 -5.248 1.00 70.34 H new ATOM 0 HG LEU A 7 -14.373 -0.386 -5.675 1.00 45.41 H new ATOM 0 HD11 LEU A 7 -14.500 -1.484 -7.869 1.00 11.35 H new ATOM 0 HD12 LEU A 7 -15.124 -2.521 -6.564 1.00 11.35 H new ATOM 0 HD13 LEU A 7 -16.255 -1.691 -7.659 1.00 11.35 H new ATOM 0 HD21 LEU A 7 -14.655 0.991 -7.691 1.00 10.42 H new ATOM 0 HD22 LEU A 7 -16.420 0.946 -7.469 1.00 10.42 H new ATOM 0 HD23 LEU A 7 -15.391 1.744 -6.256 1.00 10.42 H new ATOM 102 N GLY A 8 -16.038 1.580 -2.811 1.00 70.23 N ATOM 103 CA GLY A 8 -15.477 2.821 -2.305 1.00 23.33 C ATOM 104 C GLY A 8 -14.546 2.559 -1.119 1.00 64.40 C ATOM 105 O GLY A 8 -13.387 2.968 -1.134 1.00 52.23 O ATOM 0 H GLY A 8 -17.057 1.555 -2.843 1.00 70.23 H new ATOM 0 HA2 GLY A 8 -14.927 3.326 -3.099 1.00 23.33 H new ATOM 0 HA3 GLY A 8 -16.282 3.490 -1.999 1.00 23.33 H new ATOM 109 N PHE A 9 -15.090 1.879 -0.121 1.00 43.21 N ATOM 110 CA PHE A 9 -14.323 1.557 1.071 1.00 4.34 C ATOM 111 C PHE A 9 -13.146 0.640 0.734 1.00 42.52 C ATOM 112 O PHE A 9 -12.129 0.651 1.426 1.00 1.10 O ATOM 113 CB PHE A 9 -15.267 0.826 2.027 1.00 41.12 C ATOM 114 CG PHE A 9 -16.275 1.739 2.726 1.00 23.12 C ATOM 115 CD1 PHE A 9 -17.606 1.464 2.656 1.00 31.42 C ATOM 116 CD2 PHE A 9 -15.843 2.827 3.419 1.00 73.20 C ATOM 117 CE1 PHE A 9 -18.542 2.312 3.305 1.00 35.22 C ATOM 118 CE2 PHE A 9 -16.779 3.674 4.067 1.00 43.10 C ATOM 119 CZ PHE A 9 -18.109 3.399 3.997 1.00 71.20 C ATOM 0 H PHE A 9 -16.053 1.542 -0.113 1.00 43.21 H new ATOM 0 HA PHE A 9 -13.923 2.469 1.514 1.00 4.34 H new ATOM 0 HB2 PHE A 9 -15.810 0.061 1.471 1.00 41.12 H new ATOM 0 HB3 PHE A 9 -14.674 0.311 2.783 1.00 41.12 H new ATOM 0 HD1 PHE A 9 -17.951 0.600 2.107 1.00 31.42 H new ATOM 0 HD2 PHE A 9 -14.787 3.046 3.476 1.00 73.20 H new ATOM 0 HE1 PHE A 9 -19.598 2.093 3.249 1.00 35.22 H new ATOM 0 HE2 PHE A 9 -16.435 4.538 4.616 1.00 43.10 H new ATOM 0 HZ PHE A 9 -18.821 4.044 4.491 1.00 71.20 H new ATOM 129 N LEU A 10 -13.323 -0.131 -0.328 1.00 1.24 N ATOM 130 CA LEU A 10 -12.288 -1.052 -0.765 1.00 14.02 C ATOM 131 C LEU A 10 -11.061 -0.257 -1.218 1.00 30.24 C ATOM 132 O LEU A 10 -9.927 -0.689 -1.018 1.00 62.10 O ATOM 133 CB LEU A 10 -12.832 -2.004 -1.832 1.00 61.51 C ATOM 134 CG LEU A 10 -11.955 -2.196 -3.071 1.00 22.31 C ATOM 135 CD1 LEU A 10 -10.633 -2.874 -2.708 1.00 43.14 C ATOM 136 CD2 LEU A 10 -12.709 -2.957 -4.163 1.00 12.42 C ATOM 0 H LEU A 10 -14.168 -0.137 -0.899 1.00 1.24 H new ATOM 0 HA LEU A 10 -11.970 -1.686 0.062 1.00 14.02 H new ATOM 0 HB2 LEU A 10 -12.994 -2.979 -1.372 1.00 61.51 H new ATOM 0 HB3 LEU A 10 -13.807 -1.637 -2.155 1.00 61.51 H new ATOM 0 HG LEU A 10 -11.712 -1.212 -3.473 1.00 22.31 H new ATOM 0 HD11 LEU A 10 -10.029 -2.998 -3.607 1.00 43.14 H new ATOM 0 HD12 LEU A 10 -10.093 -2.257 -1.990 1.00 43.14 H new ATOM 0 HD13 LEU A 10 -10.834 -3.851 -2.268 1.00 43.14 H new ATOM 0 HD21 LEU A 10 -12.063 -3.080 -5.033 1.00 12.42 H new ATOM 0 HD22 LEU A 10 -13.002 -3.937 -3.787 1.00 12.42 H new ATOM 0 HD23 LEU A 10 -13.599 -2.397 -4.448 1.00 12.42 H new ATOM 148 N GLY A 11 -11.331 0.891 -1.823 1.00 31.20 N ATOM 149 CA GLY A 11 -10.264 1.750 -2.307 1.00 21.22 C ATOM 150 C GLY A 11 -9.206 1.972 -1.224 1.00 2.54 C ATOM 151 O GLY A 11 -8.025 2.139 -1.530 1.00 64.11 O ATOM 0 H GLY A 11 -12.273 1.246 -1.989 1.00 31.20 H new ATOM 0 HA2 GLY A 11 -9.801 1.301 -3.186 1.00 21.22 H new ATOM 0 HA3 GLY A 11 -10.677 2.709 -2.619 1.00 21.22 H new ATOM 155 N ALA A 12 -9.666 1.969 0.018 1.00 2.41 N ATOM 156 CA ALA A 12 -8.773 2.169 1.148 1.00 31.41 C ATOM 157 C ALA A 12 -7.956 0.896 1.377 1.00 74.20 C ATOM 158 O ALA A 12 -6.751 0.963 1.615 1.00 53.13 O ATOM 159 CB ALA A 12 -9.590 2.567 2.379 1.00 40.12 C ATOM 0 H ALA A 12 -10.645 1.831 0.268 1.00 2.41 H new ATOM 0 HA ALA A 12 -8.072 2.979 0.946 1.00 31.41 H new ATOM 0 HB1 ALA A 12 -8.921 2.717 3.227 1.00 40.12 H new ATOM 0 HB2 ALA A 12 -10.129 3.492 2.174 1.00 40.12 H new ATOM 0 HB3 ALA A 12 -10.302 1.776 2.614 1.00 40.12 H new ATOM 165 N ALA A 13 -8.643 -0.233 1.296 1.00 73.43 N ATOM 166 CA ALA A 13 -7.995 -1.519 1.491 1.00 72.42 C ATOM 167 C ALA A 13 -6.899 -1.699 0.439 1.00 11.13 C ATOM 168 O ALA A 13 -5.919 -2.404 0.672 1.00 73.43 O ATOM 169 CB ALA A 13 -9.042 -2.633 1.436 1.00 24.34 C ATOM 0 H ALA A 13 -9.642 -0.285 1.098 1.00 73.43 H new ATOM 0 HA ALA A 13 -7.522 -1.564 2.472 1.00 72.42 H new ATOM 0 HB1 ALA A 13 -8.555 -3.597 1.582 1.00 24.34 H new ATOM 0 HB2 ALA A 13 -9.781 -2.477 2.222 1.00 24.34 H new ATOM 0 HB3 ALA A 13 -9.537 -2.620 0.465 1.00 24.34 H new ATOM 175 N GLY A 14 -7.101 -1.047 -0.696 1.00 34.14 N ATOM 176 CA GLY A 14 -6.141 -1.125 -1.786 1.00 65.35 C ATOM 177 C GLY A 14 -4.887 -0.308 -1.471 1.00 24.11 C ATOM 178 O GLY A 14 -3.780 -0.843 -1.457 1.00 51.43 O ATOM 0 H GLY A 14 -7.915 -0.462 -0.886 1.00 34.14 H new ATOM 0 HA2 GLY A 14 -5.867 -2.166 -1.960 1.00 65.35 H new ATOM 0 HA3 GLY A 14 -6.598 -0.757 -2.705 1.00 65.35 H new ATOM 182 N SER A 15 -5.103 0.977 -1.226 1.00 61.11 N ATOM 183 CA SER A 15 -4.003 1.873 -0.912 1.00 21.02 C ATOM 184 C SER A 15 -3.185 1.311 0.251 1.00 12.32 C ATOM 185 O SER A 15 -2.025 1.678 0.433 1.00 72.05 O ATOM 186 CB SER A 15 -4.516 3.275 -0.572 1.00 41.00 C ATOM 187 OG SER A 15 -5.182 3.883 -1.676 1.00 73.13 O ATOM 0 H SER A 15 -6.023 1.418 -1.239 1.00 61.11 H new ATOM 0 HA SER A 15 -3.364 1.952 -1.792 1.00 21.02 H new ATOM 0 HB2 SER A 15 -5.199 3.215 0.275 1.00 41.00 H new ATOM 0 HB3 SER A 15 -3.680 3.902 -0.263 1.00 41.00 H new ATOM 0 HG SER A 15 -5.496 4.775 -1.418 1.00 73.13 H new ATOM 193 N LYS A 16 -3.820 0.429 1.009 1.00 31.44 N ATOM 194 CA LYS A 16 -3.165 -0.187 2.149 1.00 73.45 C ATOM 195 C LYS A 16 -2.232 -1.296 1.658 1.00 61.04 C ATOM 196 O LYS A 16 -1.021 -1.231 1.868 1.00 71.41 O ATOM 197 CB LYS A 16 -4.202 -0.663 3.170 1.00 55.12 C ATOM 198 CG LYS A 16 -3.529 -1.088 4.477 1.00 44.50 C ATOM 199 CD LYS A 16 -4.065 -0.276 5.657 1.00 50.13 C ATOM 200 CE LYS A 16 -2.946 0.061 6.645 1.00 13.13 C ATOM 201 NZ LYS A 16 -3.496 0.735 7.842 1.00 21.25 N ATOM 0 H LYS A 16 -4.782 0.127 0.855 1.00 31.44 H new ATOM 0 HA LYS A 16 -2.547 0.542 2.673 1.00 73.45 H new ATOM 0 HB2 LYS A 16 -4.916 0.136 3.368 1.00 55.12 H new ATOM 0 HB3 LYS A 16 -4.766 -1.500 2.758 1.00 55.12 H new ATOM 0 HG2 LYS A 16 -3.704 -2.150 4.652 1.00 44.50 H new ATOM 0 HG3 LYS A 16 -2.451 -0.951 4.396 1.00 44.50 H new ATOM 0 HD2 LYS A 16 -4.522 0.644 5.292 1.00 50.13 H new ATOM 0 HD3 LYS A 16 -4.847 -0.840 6.166 1.00 50.13 H new ATOM 0 HE2 LYS A 16 -2.427 -0.851 6.940 1.00 13.13 H new ATOM 0 HE3 LYS A 16 -2.210 0.705 6.164 1.00 13.13 H new ATOM 0 HZ1 LYS A 16 -2.723 0.956 8.502 1.00 21.25 H new ATOM 0 HZ2 LYS A 16 -3.971 1.615 7.557 1.00 21.25 H new ATOM 0 HZ3 LYS A 16 -4.181 0.108 8.310 1.00 21.25 H new ATOM 214 N LYS A 17 -2.830 -2.287 1.013 1.00 10.11 N ATOM 215 CA LYS A 17 -2.067 -3.407 0.490 1.00 73.14 C ATOM 216 C LYS A 17 -0.909 -2.879 -0.358 1.00 63.14 C ATOM 217 O LYS A 17 0.163 -3.482 -0.396 1.00 11.24 O ATOM 218 CB LYS A 17 -2.984 -4.377 -0.257 1.00 75.12 C ATOM 219 CG LYS A 17 -2.356 -5.770 -0.343 1.00 73.30 C ATOM 220 CD LYS A 17 -3.125 -6.773 0.519 1.00 53.20 C ATOM 221 CE LYS A 17 -4.018 -7.667 -0.345 1.00 41.50 C ATOM 222 NZ LYS A 17 -3.989 -9.061 0.151 1.00 11.31 N ATOM 0 H LYS A 17 -3.834 -2.337 0.841 1.00 10.11 H new ATOM 0 HA LYS A 17 -1.628 -3.983 1.305 1.00 73.14 H new ATOM 0 HB2 LYS A 17 -3.946 -4.439 0.252 1.00 75.12 H new ATOM 0 HB3 LYS A 17 -3.178 -3.999 -1.261 1.00 75.12 H new ATOM 0 HG2 LYS A 17 -2.349 -6.106 -1.380 1.00 73.30 H new ATOM 0 HG3 LYS A 17 -1.317 -5.725 -0.016 1.00 73.30 H new ATOM 0 HD2 LYS A 17 -2.423 -7.389 1.081 1.00 53.20 H new ATOM 0 HD3 LYS A 17 -3.735 -6.239 1.248 1.00 53.20 H new ATOM 0 HE2 LYS A 17 -5.041 -7.291 -0.332 1.00 41.50 H new ATOM 0 HE3 LYS A 17 -3.680 -7.636 -1.381 1.00 41.50 H new ATOM 0 HZ1 LYS A 17 -4.600 -9.655 -0.446 1.00 11.31 H new ATOM 0 HZ2 LYS A 17 -3.014 -9.422 0.116 1.00 11.31 H new ATOM 0 HZ3 LYS A 17 -4.333 -9.088 1.132 1.00 11.31 H new HETATM 235 C1 ACA A 18 0.657 2.349 -6.164 1.00 1.15 C HETATM 236 O1 ACA A 18 1.069 1.203 -5.993 1.00 60.21 O HETATM 237 C2 ACA A 18 0.466 2.814 -4.772 1.00 34.31 C HETATM 238 C3 ACA A 18 -0.374 1.808 -3.983 1.00 64.45 C HETATM 239 C4 ACA A 18 0.498 1.003 -3.017 1.00 71.02 C HETATM 240 C5 ACA A 18 -0.348 0.375 -1.908 1.00 50.45 C HETATM 241 C6 ACA A 18 -0.155 -1.142 -1.863 1.00 71.41 C HETATM 242 N6 ACA A 18 -1.163 -1.758 -1.018 1.00 72.55 N HETATM 0 HN61 ACA A 18 -1.865 -1.179 -0.557 1.00 72.55 H new HETATM 0 H62 ACA A 18 -0.217 -1.552 -2.871 1.00 71.41 H new HETATM 0 H61 ACA A 18 0.839 -1.377 -1.483 1.00 71.41 H new HETATM 0 H52 ACA A 18 -0.073 0.809 -0.946 1.00 50.45 H new HETATM 0 H51 ACA A 18 -1.400 0.606 -2.073 1.00 50.45 H new HETATM 0 H42 ACA A 18 1.026 0.221 -3.563 1.00 71.02 H new HETATM 0 H41 ACA A 18 1.255 1.652 -2.578 1.00 71.02 H new HETATM 0 H32 ACA A 18 -1.150 2.334 -3.426 1.00 64.45 H new HETATM 0 H31 ACA A 18 -0.880 1.131 -4.672 1.00 64.45 H new HETATM 0 H22 ACA A 18 1.435 2.946 -4.290 1.00 34.31 H new HETATM 0 H21 ACA A 18 -0.025 3.787 -4.771 1.00 34.31 H new ATOM 254 N LYS A 19 -0.370 2.670 -6.940 1.00 54.42 N ATOM 255 CA LYS A 19 -1.105 1.650 -7.666 1.00 33.10 C ATOM 256 C LYS A 19 -0.206 1.055 -8.752 1.00 14.14 C ATOM 257 O LYS A 19 1.016 1.042 -8.613 1.00 73.54 O ATOM 258 CB LYS A 19 -2.421 2.217 -8.201 1.00 60.32 C ATOM 259 CG LYS A 19 -3.083 3.132 -7.169 1.00 23.53 C ATOM 260 CD LYS A 19 -4.574 3.304 -7.465 1.00 25.52 C ATOM 261 CE LYS A 19 -4.795 4.295 -8.610 1.00 0.41 C ATOM 262 NZ LYS A 19 -5.853 5.267 -8.258 1.00 41.13 N ATOM 0 HA LYS A 19 -1.383 0.834 -6.999 1.00 33.10 H new ATOM 0 HB2 LYS A 19 -2.235 2.774 -9.119 1.00 60.32 H new ATOM 0 HB3 LYS A 19 -3.097 1.400 -8.455 1.00 60.32 H new ATOM 0 HG2 LYS A 19 -2.953 2.714 -6.171 1.00 23.53 H new ATOM 0 HG3 LYS A 19 -2.593 4.106 -7.174 1.00 23.53 H new ATOM 0 HD2 LYS A 19 -5.010 2.340 -7.725 1.00 25.52 H new ATOM 0 HD3 LYS A 19 -5.088 3.656 -6.570 1.00 25.52 H new ATOM 0 HE2 LYS A 19 -3.866 4.822 -8.826 1.00 0.41 H new ATOM 0 HE3 LYS A 19 -5.074 3.757 -9.516 1.00 0.41 H new ATOM 0 HZ1 LYS A 19 -5.990 5.932 -9.046 1.00 41.13 H new ATOM 0 HZ2 LYS A 19 -6.742 4.760 -8.074 1.00 41.13 H new ATOM 0 HZ3 LYS A 19 -5.572 5.793 -7.406 1.00 41.13 H new ATOM 275 N ASN A 20 -0.846 0.577 -9.809 1.00 14.31 N ATOM 276 CA ASN A 20 -0.120 -0.018 -10.918 1.00 11.25 C ATOM 277 C ASN A 20 -1.117 -0.581 -11.933 1.00 3.15 C ATOM 278 O ASN A 20 -2.181 -1.072 -11.557 1.00 50.32 O ATOM 279 CB ASN A 20 0.770 -1.167 -10.442 1.00 70.34 C ATOM 280 CG ASN A 20 2.238 -0.740 -10.390 1.00 53.12 C ATOM 281 OD1 ASN A 20 2.708 0.055 -11.186 1.00 50.14 O ATOM 282 ND2 ASN A 20 2.933 -1.312 -9.411 1.00 5.11 N ATOM 0 H ASN A 20 -1.860 0.590 -9.921 1.00 14.31 H new ATOM 0 HA ASN A 20 0.502 0.757 -11.367 1.00 11.25 H new ATOM 0 HB2 ASN A 20 0.448 -1.495 -9.454 1.00 70.34 H new ATOM 0 HB3 ASN A 20 0.659 -2.019 -11.113 1.00 70.34 H new ATOM 0 HD21 ASN A 20 3.922 -1.093 -9.292 1.00 5.11 H new ATOM 0 HD22 ASN A 20 2.477 -1.970 -8.779 1.00 5.11 H new ATOM 289 N GLU A 21 -0.739 -0.492 -13.200 1.00 43.42 N ATOM 290 CA GLU A 21 -1.587 -0.986 -14.271 1.00 24.03 C ATOM 291 C GLU A 21 -1.888 -2.472 -14.067 1.00 41.25 C ATOM 292 O GLU A 21 -3.013 -2.918 -14.289 1.00 54.31 O ATOM 293 CB GLU A 21 -0.944 -0.739 -15.637 1.00 73.40 C ATOM 294 CG GLU A 21 -1.081 0.727 -16.050 1.00 12.41 C ATOM 295 CD GLU A 21 -1.739 0.850 -17.426 1.00 24.30 C ATOM 296 OE1 GLU A 21 -1.413 0.081 -18.341 1.00 75.40 O ATOM 297 OE2 GLU A 21 -2.622 1.786 -17.527 1.00 44.35 O ATOM 0 H GLU A 21 0.144 -0.085 -13.509 1.00 43.42 H new ATOM 0 HA GLU A 21 -2.529 -0.438 -14.245 1.00 24.03 H new ATOM 0 HB2 GLU A 21 0.110 -1.014 -15.602 1.00 73.40 H new ATOM 0 HB3 GLU A 21 -1.415 -1.377 -16.385 1.00 73.40 H new ATOM 0 HG2 GLU A 21 -1.675 1.263 -15.310 1.00 12.41 H new ATOM 0 HG3 GLU A 21 -0.097 1.196 -16.070 1.00 12.41 H new ATOM 305 N GLN A 22 -0.863 -3.198 -13.644 1.00 35.43 N ATOM 306 CA GLN A 22 -1.003 -4.624 -13.408 1.00 32.52 C ATOM 307 C GLN A 22 -2.070 -4.883 -12.342 1.00 22.12 C ATOM 308 O GLN A 22 -2.921 -5.756 -12.509 1.00 23.24 O ATOM 309 CB GLN A 22 0.335 -5.249 -13.007 1.00 51.52 C ATOM 310 CG GLN A 22 0.155 -6.708 -12.585 1.00 11.00 C ATOM 311 CD GLN A 22 0.574 -6.913 -11.128 1.00 23.31 C ATOM 312 OE1 GLN A 22 -0.224 -6.832 -10.209 1.00 43.23 O ATOM 313 NE2 GLN A 22 1.866 -7.183 -10.969 1.00 43.02 N ATOM 0 H GLN A 22 0.068 -2.824 -13.459 1.00 35.43 H new ATOM 0 HA GLN A 22 -1.322 -5.096 -14.337 1.00 32.52 H new ATOM 0 HB2 GLN A 22 1.032 -5.192 -13.843 1.00 51.52 H new ATOM 0 HB3 GLN A 22 0.774 -4.681 -12.187 1.00 51.52 H new ATOM 0 HG2 GLN A 22 -0.887 -7.001 -12.712 1.00 11.00 H new ATOM 0 HG3 GLN A 22 0.749 -7.353 -13.232 1.00 11.00 H new ATOM 0 HE21 GLN A 22 2.480 -7.236 -11.782 1.00 43.02 H new ATOM 0 HE22 GLN A 22 2.244 -7.337 -10.034 1.00 43.02 H new ATOM 322 N GLU A 23 -1.990 -4.109 -11.270 1.00 43.24 N ATOM 323 CA GLU A 23 -2.937 -4.243 -10.177 1.00 62.32 C ATOM 324 C GLU A 23 -4.364 -4.008 -10.679 1.00 74.21 C ATOM 325 O GLU A 23 -5.313 -4.594 -10.159 1.00 35.13 O ATOM 326 CB GLU A 23 -2.594 -3.287 -9.033 1.00 30.13 C ATOM 327 CG GLU A 23 -1.649 -3.950 -8.028 1.00 34.34 C ATOM 328 CD GLU A 23 -2.334 -4.140 -6.674 1.00 4.43 C ATOM 329 OE1 GLU A 23 -2.016 -3.424 -5.713 1.00 52.41 O ATOM 330 OE2 GLU A 23 -3.228 -5.070 -6.640 1.00 10.20 O ATOM 0 H GLU A 23 -1.283 -3.386 -11.135 1.00 43.24 H new ATOM 0 HA GLU A 23 -2.872 -5.259 -9.789 1.00 62.32 H new ATOM 0 HB2 GLU A 23 -2.130 -2.386 -9.434 1.00 30.13 H new ATOM 0 HB3 GLU A 23 -3.508 -2.976 -8.527 1.00 30.13 H new ATOM 0 HG2 GLU A 23 -1.323 -4.916 -8.413 1.00 34.34 H new ATOM 0 HG3 GLU A 23 -0.756 -3.338 -7.905 1.00 34.34 H new ATOM 338 N LEU A 24 -4.469 -3.151 -11.684 1.00 51.24 N ATOM 339 CA LEU A 24 -5.764 -2.832 -12.262 1.00 10.50 C ATOM 340 C LEU A 24 -6.228 -3.998 -13.135 1.00 24.44 C ATOM 341 O LEU A 24 -7.415 -4.323 -13.163 1.00 53.53 O ATOM 342 CB LEU A 24 -5.704 -1.494 -13.002 1.00 12.15 C ATOM 343 CG LEU A 24 -6.896 -1.175 -13.908 1.00 42.35 C ATOM 344 CD1 LEU A 24 -7.002 0.330 -14.163 1.00 72.05 C ATOM 345 CD2 LEU A 24 -6.824 -1.973 -15.210 1.00 35.41 C ATOM 0 H LEU A 24 -3.679 -2.668 -12.113 1.00 51.24 H new ATOM 0 HA LEU A 24 -6.511 -2.704 -11.479 1.00 10.50 H new ATOM 0 HB2 LEU A 24 -5.610 -0.697 -12.264 1.00 12.15 H new ATOM 0 HB3 LEU A 24 -4.798 -1.476 -13.607 1.00 12.15 H new ATOM 0 HG LEU A 24 -7.808 -1.480 -13.394 1.00 42.35 H new ATOM 0 HD11 LEU A 24 -7.857 0.530 -14.809 1.00 72.05 H new ATOM 0 HD12 LEU A 24 -7.134 0.851 -13.215 1.00 72.05 H new ATOM 0 HD13 LEU A 24 -6.091 0.682 -14.647 1.00 72.05 H new ATOM 0 HD21 LEU A 24 -7.683 -1.728 -15.835 1.00 35.41 H new ATOM 0 HD22 LEU A 24 -5.905 -1.722 -15.740 1.00 35.41 H new ATOM 0 HD23 LEU A 24 -6.833 -3.039 -14.984 1.00 35.41 H new ATOM 357 N LEU A 25 -5.270 -4.596 -13.827 1.00 34.32 N ATOM 358 CA LEU A 25 -5.568 -5.719 -14.700 1.00 74.04 C ATOM 359 C LEU A 25 -6.048 -6.902 -13.857 1.00 65.23 C ATOM 360 O LEU A 25 -6.830 -7.727 -14.326 1.00 42.30 O ATOM 361 CB LEU A 25 -4.362 -6.045 -15.584 1.00 72.31 C ATOM 362 CG LEU A 25 -4.333 -7.450 -16.189 1.00 61.51 C ATOM 363 CD1 LEU A 25 -3.937 -7.403 -17.666 1.00 32.01 C ATOM 364 CD2 LEU A 25 -3.424 -8.377 -15.381 1.00 14.52 C ATOM 0 H LEU A 25 -4.287 -4.324 -13.801 1.00 34.32 H new ATOM 0 HA LEU A 25 -6.378 -5.465 -15.384 1.00 74.04 H new ATOM 0 HB2 LEU A 25 -4.326 -5.320 -16.397 1.00 72.31 H new ATOM 0 HB3 LEU A 25 -3.456 -5.907 -14.994 1.00 72.31 H new ATOM 0 HG LEU A 25 -5.340 -7.864 -16.139 1.00 61.51 H new ATOM 0 HD11 LEU A 25 -3.924 -8.415 -18.072 1.00 32.01 H new ATOM 0 HD12 LEU A 25 -4.659 -6.800 -18.217 1.00 32.01 H new ATOM 0 HD13 LEU A 25 -2.946 -6.961 -17.763 1.00 32.01 H new ATOM 0 HD21 LEU A 25 -3.422 -9.369 -15.833 1.00 14.52 H new ATOM 0 HD22 LEU A 25 -2.410 -7.978 -15.376 1.00 14.52 H new ATOM 0 HD23 LEU A 25 -3.792 -8.446 -14.357 1.00 14.52 H new ATOM 376 N GLU A 26 -5.560 -6.946 -12.625 1.00 51.43 N ATOM 377 CA GLU A 26 -5.929 -8.014 -11.712 1.00 64.41 C ATOM 378 C GLU A 26 -7.452 -8.092 -11.574 1.00 13.02 C ATOM 379 O GLU A 26 -8.042 -9.155 -11.758 1.00 43.23 O ATOM 380 CB GLU A 26 -5.266 -7.822 -10.346 1.00 35.15 C ATOM 381 CG GLU A 26 -4.873 -9.168 -9.734 1.00 34.22 C ATOM 382 CD GLU A 26 -4.587 -9.027 -8.238 1.00 4.22 C ATOM 383 OE1 GLU A 26 -4.302 -7.917 -7.763 1.00 60.05 O ATOM 384 OE2 GLU A 26 -4.671 -10.122 -7.561 1.00 40.12 O ATOM 0 H GLU A 26 -4.912 -6.259 -12.239 1.00 51.43 H new ATOM 0 HA GLU A 26 -5.571 -8.957 -12.125 1.00 64.41 H new ATOM 0 HB2 GLU A 26 -4.381 -7.194 -10.452 1.00 35.15 H new ATOM 0 HB3 GLU A 26 -5.949 -7.299 -9.676 1.00 35.15 H new ATOM 0 HG2 GLU A 26 -5.675 -9.890 -9.888 1.00 34.22 H new ATOM 0 HG3 GLU A 26 -3.991 -9.559 -10.241 1.00 34.22 H new ATOM 392 N LEU A 27 -8.044 -6.950 -11.253 1.00 61.33 N ATOM 393 CA LEU A 27 -9.486 -6.877 -11.090 1.00 44.54 C ATOM 394 C LEU A 27 -10.166 -7.370 -12.367 1.00 31.43 C ATOM 395 O LEU A 27 -11.261 -7.929 -12.317 1.00 43.35 O ATOM 396 CB LEU A 27 -9.906 -5.465 -10.675 1.00 11.50 C ATOM 397 CG LEU A 27 -10.940 -5.375 -9.550 1.00 70.23 C ATOM 398 CD1 LEU A 27 -12.326 -5.790 -10.046 1.00 74.20 C ATOM 399 CD2 LEU A 27 -10.499 -6.191 -8.334 1.00 40.44 C ATOM 0 H LEU A 27 -7.552 -6.070 -11.102 1.00 61.33 H new ATOM 0 HA LEU A 27 -9.812 -7.533 -10.283 1.00 44.54 H new ATOM 0 HB2 LEU A 27 -9.015 -4.918 -10.367 1.00 11.50 H new ATOM 0 HB3 LEU A 27 -10.306 -4.954 -11.551 1.00 11.50 H new ATOM 0 HG LEU A 27 -11.009 -4.335 -9.232 1.00 70.23 H new ATOM 0 HD11 LEU A 27 -13.042 -5.717 -9.228 1.00 74.20 H new ATOM 0 HD12 LEU A 27 -12.634 -5.131 -10.858 1.00 74.20 H new ATOM 0 HD13 LEU A 27 -12.291 -6.818 -10.407 1.00 74.20 H new ATOM 0 HD21 LEU A 27 -11.251 -6.110 -7.549 1.00 40.44 H new ATOM 0 HD22 LEU A 27 -10.384 -7.237 -8.620 1.00 40.44 H new ATOM 0 HD23 LEU A 27 -9.547 -5.809 -7.965 1.00 40.44 H new ATOM 411 N ASP A 28 -9.490 -7.146 -13.484 1.00 15.41 N ATOM 412 CA ASP A 28 -10.015 -7.560 -14.774 1.00 21.31 C ATOM 413 C ASP A 28 -10.240 -9.073 -14.765 1.00 74.43 C ATOM 414 O ASP A 28 -11.287 -9.552 -15.201 1.00 55.42 O ATOM 415 CB ASP A 28 -9.032 -7.236 -15.899 1.00 12.24 C ATOM 416 CG ASP A 28 -9.677 -6.820 -17.223 1.00 23.50 C ATOM 417 OD1 ASP A 28 -10.100 -7.670 -18.022 1.00 64.12 O ATOM 418 OD2 ASP A 28 -9.739 -5.547 -17.424 1.00 21.22 O ATOM 0 H ASP A 28 -8.582 -6.683 -13.522 1.00 15.41 H new ATOM 0 HA ASP A 28 -10.948 -7.024 -14.946 1.00 21.31 H new ATOM 0 HB2 ASP A 28 -8.373 -6.434 -15.566 1.00 12.24 H new ATOM 0 HB3 ASP A 28 -8.406 -8.110 -16.076 1.00 12.24 H new ATOM 424 N LYS A 29 -9.241 -9.786 -14.264 1.00 44.03 N ATOM 425 CA LYS A 29 -9.317 -11.235 -14.192 1.00 21.03 C ATOM 426 C LYS A 29 -10.259 -11.637 -13.056 1.00 2.53 C ATOM 427 O LYS A 29 -10.950 -12.650 -13.145 1.00 32.25 O ATOM 428 CB LYS A 29 -7.917 -11.839 -14.074 1.00 74.14 C ATOM 429 CG LYS A 29 -6.966 -11.230 -15.107 1.00 3.04 C ATOM 430 CD LYS A 29 -7.090 -11.945 -16.454 1.00 52.03 C ATOM 431 CE LYS A 29 -5.735 -12.017 -17.162 1.00 22.54 C ATOM 432 NZ LYS A 29 -5.023 -13.260 -16.794 1.00 21.41 N ATOM 0 H LYS A 29 -8.374 -9.386 -13.904 1.00 44.03 H new ATOM 0 HA LYS A 29 -9.737 -11.641 -15.112 1.00 21.03 H new ATOM 0 HB2 LYS A 29 -7.527 -11.668 -13.071 1.00 74.14 H new ATOM 0 HB3 LYS A 29 -7.970 -12.918 -14.216 1.00 74.14 H new ATOM 0 HG2 LYS A 29 -7.189 -10.170 -15.232 1.00 3.04 H new ATOM 0 HG3 LYS A 29 -5.939 -11.300 -14.747 1.00 3.04 H new ATOM 0 HD2 LYS A 29 -7.479 -12.952 -16.301 1.00 52.03 H new ATOM 0 HD3 LYS A 29 -7.807 -11.419 -17.085 1.00 52.03 H new ATOM 0 HE2 LYS A 29 -5.880 -11.980 -18.242 1.00 22.54 H new ATOM 0 HE3 LYS A 29 -5.131 -11.151 -16.892 1.00 22.54 H new ATOM 0 HZ1 LYS A 29 -4.106 -13.293 -17.283 1.00 21.41 H new ATOM 0 HZ2 LYS A 29 -4.868 -13.280 -15.766 1.00 21.41 H new ATOM 0 HZ3 LYS A 29 -5.594 -14.083 -17.074 1.00 21.41 H new ATOM 445 N TRP A 30 -10.256 -10.820 -12.012 1.00 61.52 N ATOM 446 CA TRP A 30 -11.102 -11.078 -10.858 1.00 73.24 C ATOM 447 C TRP A 30 -12.559 -11.046 -11.324 1.00 34.10 C ATOM 448 O TRP A 30 -13.425 -11.667 -10.710 1.00 44.24 O ATOM 449 CB TRP A 30 -10.812 -10.084 -9.732 1.00 73.31 C ATOM 450 CG TRP A 30 -11.354 -10.513 -8.368 1.00 61.10 C ATOM 451 CD1 TRP A 30 -10.666 -10.973 -7.314 1.00 61.12 C ATOM 452 CD2 TRP A 30 -12.735 -10.504 -7.950 1.00 2.55 C ATOM 453 NE1 TRP A 30 -11.499 -11.260 -6.252 1.00 14.21 N ATOM 454 CE2 TRP A 30 -12.797 -10.965 -6.650 1.00 15.15 C ATOM 455 CE3 TRP A 30 -13.894 -10.118 -8.646 1.00 4.43 C ATOM 456 CZ2 TRP A 30 -13.995 -11.084 -5.935 1.00 35.04 C ATOM 457 CZ3 TRP A 30 -15.083 -10.242 -7.918 1.00 23.21 C ATOM 458 CH2 TRP A 30 -15.163 -10.705 -6.609 1.00 12.55 C ATOM 0 H TRP A 30 -9.682 -9.980 -11.941 1.00 61.52 H new ATOM 0 HA TRP A 30 -10.892 -12.062 -10.438 1.00 73.24 H new ATOM 0 HB2 TRP A 30 -9.734 -9.943 -9.655 1.00 73.31 H new ATOM 0 HB3 TRP A 30 -11.242 -9.118 -9.995 1.00 73.31 H new ATOM 0 HD1 TRP A 30 -9.594 -11.103 -7.298 1.00 61.12 H new ATOM 0 HE1 TRP A 30 -11.214 -11.622 -5.342 1.00 14.21 H new ATOM 0 HE3 TRP A 30 -13.869 -9.754 -9.663 1.00 4.43 H new ATOM 0 HZ2 TRP A 30 -14.017 -11.448 -4.919 1.00 35.04 H new ATOM 0 HZ3 TRP A 30 -16.003 -9.958 -8.407 1.00 23.21 H new ATOM 0 HH2 TRP A 30 -16.121 -10.772 -6.115 1.00 12.55 H new ATOM 469 N ALA A 31 -12.785 -10.316 -12.406 1.00 34.43 N ATOM 470 CA ALA A 31 -14.123 -10.194 -12.961 1.00 54.05 C ATOM 471 C ALA A 31 -14.643 -11.584 -13.333 1.00 32.35 C ATOM 472 O ALA A 31 -15.851 -11.823 -13.319 1.00 53.53 O ATOM 473 CB ALA A 31 -14.094 -9.243 -14.159 1.00 44.53 C ATOM 0 H ALA A 31 -12.064 -9.803 -12.914 1.00 34.43 H new ATOM 0 HA ALA A 31 -14.807 -9.771 -12.226 1.00 54.05 H new ATOM 0 HB1 ALA A 31 -15.097 -9.151 -14.575 1.00 44.53 H new ATOM 0 HB2 ALA A 31 -13.744 -8.262 -13.837 1.00 44.53 H new ATOM 0 HB3 ALA A 31 -13.420 -9.637 -14.920 1.00 44.53 H new ATOM 479 N SER A 32 -13.708 -12.465 -13.658 1.00 70.11 N ATOM 480 CA SER A 32 -14.058 -13.824 -14.033 1.00 61.02 C ATOM 481 C SER A 32 -14.940 -14.455 -12.953 1.00 32.15 C ATOM 482 O SER A 32 -15.814 -15.266 -13.256 1.00 61.11 O ATOM 483 CB SER A 32 -12.806 -14.674 -14.257 1.00 11.53 C ATOM 484 OG SER A 32 -12.107 -14.293 -15.440 1.00 31.31 O ATOM 0 H SER A 32 -12.708 -12.264 -13.669 1.00 70.11 H new ATOM 0 HA SER A 32 -14.612 -13.787 -14.971 1.00 61.02 H new ATOM 0 HB2 SER A 32 -12.143 -14.577 -13.397 1.00 11.53 H new ATOM 0 HB3 SER A 32 -13.088 -15.725 -14.325 1.00 11.53 H new ATOM 0 HG SER A 32 -11.431 -13.619 -15.218 1.00 31.31 H new ATOM 490 N LEU A 33 -14.681 -14.058 -11.717 1.00 45.11 N ATOM 491 CA LEU A 33 -15.440 -14.573 -10.590 1.00 33.03 C ATOM 492 C LEU A 33 -16.933 -14.355 -10.844 1.00 12.11 C ATOM 493 O LEU A 33 -17.753 -15.215 -10.526 1.00 64.11 O ATOM 494 CB LEU A 33 -14.943 -13.956 -9.281 1.00 73.44 C ATOM 495 CG LEU A 33 -14.744 -14.928 -8.115 1.00 15.51 C ATOM 496 CD1 LEU A 33 -13.500 -14.562 -7.303 1.00 32.12 C ATOM 497 CD2 LEU A 33 -15.998 -15.001 -7.242 1.00 20.01 C ATOM 0 H LEU A 33 -13.955 -13.385 -11.470 1.00 45.11 H new ATOM 0 HA LEU A 33 -15.287 -15.647 -10.487 1.00 33.03 H new ATOM 0 HB2 LEU A 33 -13.995 -13.454 -9.476 1.00 73.44 H new ATOM 0 HB3 LEU A 33 -15.652 -13.189 -8.972 1.00 73.44 H new ATOM 0 HG LEU A 33 -14.579 -15.925 -8.525 1.00 15.51 H new ATOM 0 HD11 LEU A 33 -13.381 -15.268 -6.481 1.00 32.12 H new ATOM 0 HD12 LEU A 33 -12.621 -14.603 -7.946 1.00 32.12 H new ATOM 0 HD13 LEU A 33 -13.610 -13.554 -6.903 1.00 32.12 H new ATOM 0 HD21 LEU A 33 -15.830 -15.698 -6.421 1.00 20.01 H new ATOM 0 HD22 LEU A 33 -16.219 -14.013 -6.839 1.00 20.01 H new ATOM 0 HD23 LEU A 33 -16.840 -15.344 -7.843 1.00 20.01 H new ATOM 509 N TRP A 34 -17.241 -13.200 -11.416 1.00 10.22 N ATOM 510 CA TRP A 34 -18.620 -12.858 -11.717 1.00 71.41 C ATOM 511 C TRP A 34 -19.141 -13.860 -12.749 1.00 2.15 C ATOM 512 O TRP A 34 -20.275 -14.327 -12.649 1.00 12.12 O ATOM 513 CB TRP A 34 -18.737 -11.405 -12.182 1.00 53.24 C ATOM 514 CG TRP A 34 -18.713 -10.384 -11.044 1.00 3.51 C ATOM 515 CD1 TRP A 34 -17.645 -9.843 -10.441 1.00 51.33 C ATOM 516 CD2 TRP A 34 -19.859 -9.798 -10.391 1.00 25.04 C ATOM 517 NE1 TRP A 34 -18.017 -8.956 -9.452 1.00 42.21 N ATOM 518 CE2 TRP A 34 -19.407 -8.926 -9.420 1.00 55.01 C ATOM 519 CE3 TRP A 34 -21.234 -9.996 -10.614 1.00 43.34 C ATOM 520 CZ2 TRP A 34 -20.262 -8.186 -8.596 1.00 40.55 C ATOM 521 CZ3 TRP A 34 -22.075 -9.248 -9.781 1.00 20.22 C ATOM 522 CH2 TRP A 34 -21.635 -8.368 -8.799 1.00 13.11 C ATOM 0 H TRP A 34 -16.558 -12.489 -11.679 1.00 10.22 H new ATOM 0 HA TRP A 34 -19.238 -12.927 -10.822 1.00 71.41 H new ATOM 0 HB2 TRP A 34 -17.919 -11.187 -12.869 1.00 53.24 H new ATOM 0 HB3 TRP A 34 -19.664 -11.287 -12.743 1.00 53.24 H new ATOM 0 HD1 TRP A 34 -16.621 -10.073 -10.697 1.00 51.33 H new ATOM 0 HE1 TRP A 34 -17.388 -8.420 -8.854 1.00 42.21 H new ATOM 0 HE3 TRP A 34 -21.611 -10.671 -11.368 1.00 43.34 H new ATOM 0 HZ2 TRP A 34 -19.883 -7.510 -7.843 1.00 40.55 H new ATOM 0 HZ3 TRP A 34 -23.141 -9.363 -9.911 1.00 20.22 H new ATOM 0 HH2 TRP A 34 -22.349 -7.827 -8.196 1.00 13.11 H new ATOM 533 N ASN A 35 -18.289 -14.159 -13.718 1.00 21.50 N ATOM 534 CA ASN A 35 -18.649 -15.097 -14.768 1.00 10.22 C ATOM 535 C ASN A 35 -17.377 -15.694 -15.372 1.00 74.43 C ATOM 536 O ASN A 35 -17.365 -16.853 -15.783 1.00 33.42 O ATOM 537 CB ASN A 35 -19.421 -14.399 -15.889 1.00 34.33 C ATOM 538 CG ASN A 35 -20.546 -13.530 -15.322 1.00 23.43 C ATOM 539 OD1 ASN A 35 -21.524 -14.015 -14.777 1.00 45.35 O ATOM 540 ND2 ASN A 35 -20.354 -12.224 -15.482 1.00 61.31 N ATOM 0 H ASN A 35 -17.350 -13.768 -13.798 1.00 21.50 H new ATOM 0 HA ASN A 35 -19.275 -15.872 -14.326 1.00 10.22 H new ATOM 0 HB2 ASN A 35 -18.740 -13.782 -16.475 1.00 34.33 H new ATOM 0 HB3 ASN A 35 -19.838 -15.144 -16.566 1.00 34.33 H new ATOM 0 HD21 ASN A 35 -21.049 -11.561 -15.139 1.00 61.31 H new ATOM 0 HD22 ASN A 35 -19.512 -11.886 -15.948 1.00 61.31 H new TER 547 ASN A 35