USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 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 Set 1.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.3!) USER MOD Single : A 22 ASN : amide:sc= -0.225 K(o=-0.22,f=-0.86) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.2!) USER MOD Single : B 22 ASN : amide:sc= -0.0933 K(o=-0.093,f=-0.83) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.432 8.032 -6.792 1.00 0.00 N ATOM 2 CA ASP A 1 10.494 9.007 -6.408 1.00 0.00 C ATOM 3 C ASP A 1 11.859 8.526 -6.907 1.00 0.00 C ATOM 4 O ASP A 1 12.625 9.280 -7.473 1.00 0.00 O ATOM 5 CB ASP A 1 10.465 9.046 -4.880 1.00 0.00 C ATOM 6 CG ASP A 1 11.343 10.195 -4.381 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.644 11.071 -5.175 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.700 10.178 -3.215 1.00 0.00 O ATOM 0 H1 ASP A 1 8.510 8.369 -6.448 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.403 7.941 -7.828 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.642 7.106 -6.369 1.00 0.00 H new ATOM 0 HA ASP A 1 10.326 9.992 -6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.442 9.177 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 1 10.822 8.099 -4.475 1.00 0.00 H new ATOM 15 N GLY A 2 12.169 7.275 -6.702 1.00 0.00 N ATOM 16 CA GLY A 2 13.484 6.748 -7.165 1.00 0.00 C ATOM 17 C GLY A 2 13.401 5.228 -7.314 1.00 0.00 C ATOM 18 O GLY A 2 12.564 4.581 -6.717 1.00 0.00 O ATOM 0 H GLY A 2 11.569 6.596 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.755 7.203 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.265 7.012 -6.452 1.00 0.00 H new ATOM 22 N GLU A 3 14.263 4.653 -8.108 1.00 0.00 N ATOM 23 CA GLU A 3 14.233 3.173 -8.294 1.00 0.00 C ATOM 24 C GLU A 3 15.439 2.527 -7.608 1.00 0.00 C ATOM 25 O GLU A 3 15.340 1.462 -7.031 1.00 0.00 O ATOM 26 CB GLU A 3 14.300 2.963 -9.807 1.00 0.00 C ATOM 27 CG GLU A 3 13.301 1.878 -10.217 1.00 0.00 C ATOM 28 CD GLU A 3 14.012 0.525 -10.271 1.00 0.00 C ATOM 29 OE1 GLU A 3 14.691 0.196 -9.313 1.00 0.00 O ATOM 30 OE2 GLU A 3 13.865 -0.159 -11.271 1.00 0.00 O ATOM 0 H GLU A 3 14.986 5.143 -8.635 1.00 0.00 H new ATOM 0 HA GLU A 3 13.342 2.721 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.073 3.895 -10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.309 2.673 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.477 1.840 -9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.871 2.114 -11.190 1.00 0.00 H new ATOM 37 N TYR A 4 16.578 3.162 -7.667 1.00 0.00 N ATOM 38 CA TYR A 4 17.789 2.581 -7.017 1.00 0.00 C ATOM 39 C TYR A 4 18.406 3.591 -6.047 1.00 0.00 C ATOM 40 O TYR A 4 17.944 4.708 -5.921 1.00 0.00 O ATOM 41 CB TYR A 4 18.751 2.283 -8.167 1.00 0.00 C ATOM 42 CG TYR A 4 18.992 3.543 -8.962 1.00 0.00 C ATOM 43 CD1 TYR A 4 19.753 4.582 -8.414 1.00 0.00 C ATOM 44 CD2 TYR A 4 18.453 3.673 -10.248 1.00 0.00 C ATOM 45 CE1 TYR A 4 19.975 5.752 -9.151 1.00 0.00 C ATOM 46 CE2 TYR A 4 18.675 4.842 -10.985 1.00 0.00 C ATOM 47 CZ TYR A 4 19.436 5.881 -10.437 1.00 0.00 C ATOM 48 OH TYR A 4 19.654 7.034 -11.164 1.00 0.00 O ATOM 0 H TYR A 4 16.723 4.056 -8.136 1.00 0.00 H new ATOM 0 HA TYR A 4 17.558 1.687 -6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 4 19.694 1.901 -7.776 1.00 0.00 H new ATOM 0 HB3 TYR A 4 18.336 1.508 -8.811 1.00 0.00 H new ATOM 0 HD1 TYR A 4 20.169 4.481 -7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 4 17.866 2.871 -10.671 1.00 0.00 H new ATOM 0 HE1 TYR A 4 20.561 6.554 -8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 4 18.259 4.942 -11.977 1.00 0.00 H new ATOM 0 HH TYR A 4 19.212 6.960 -12.035 1.00 0.00 H new ATOM 58 N PHE A 5 19.448 3.208 -5.361 1.00 0.00 N ATOM 59 CA PHE A 5 20.095 4.146 -4.399 1.00 0.00 C ATOM 60 C PHE A 5 21.558 4.374 -4.788 1.00 0.00 C ATOM 61 O PHE A 5 22.043 3.831 -5.760 1.00 0.00 O ATOM 62 CB PHE A 5 20.002 3.448 -3.042 1.00 0.00 C ATOM 63 CG PHE A 5 18.595 2.943 -2.832 1.00 0.00 C ATOM 64 CD1 PHE A 5 17.572 3.839 -2.499 1.00 0.00 C ATOM 65 CD2 PHE A 5 18.313 1.578 -2.970 1.00 0.00 C ATOM 66 CE1 PHE A 5 16.267 3.371 -2.304 1.00 0.00 C ATOM 67 CE2 PHE A 5 17.008 1.110 -2.775 1.00 0.00 C ATOM 68 CZ PHE A 5 15.985 2.007 -2.442 1.00 0.00 C ATOM 0 H PHE A 5 19.880 2.286 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 5 19.614 5.124 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 5 20.708 2.619 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 5 20.274 4.140 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 5 17.790 4.891 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 5 19.102 0.887 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 5 15.478 4.062 -2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 5 16.790 0.058 -2.881 1.00 0.00 H new ATOM 0 HZ PHE A 5 14.978 1.646 -2.292 1.00 0.00 H new ATOM 78 N THR A 6 22.264 5.174 -4.036 1.00 0.00 N ATOM 79 CA THR A 6 23.695 5.434 -4.366 1.00 0.00 C ATOM 80 C THR A 6 24.478 5.776 -3.095 1.00 0.00 C ATOM 81 O THR A 6 23.977 6.431 -2.203 1.00 0.00 O ATOM 82 CB THR A 6 23.670 6.630 -5.320 1.00 0.00 C ATOM 83 OG1 THR A 6 25.001 7.065 -5.564 1.00 0.00 O ATOM 84 CG2 THR A 6 22.865 7.769 -4.694 1.00 0.00 C ATOM 0 H THR A 6 21.913 5.658 -3.209 1.00 0.00 H new ATOM 0 HA THR A 6 24.180 4.566 -4.813 1.00 0.00 H new ATOM 0 HB THR A 6 23.205 6.336 -6.261 1.00 0.00 H new ATOM 0 HG1 THR A 6 24.988 7.830 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 6 22.848 8.620 -5.375 1.00 0.00 H new ATOM 0 HG22 THR A 6 21.845 7.434 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 6 23.327 8.067 -3.753 1.00 0.00 H new ATOM 92 N LEU A 7 25.703 5.336 -3.008 1.00 0.00 N ATOM 93 CA LEU A 7 26.520 5.634 -1.796 1.00 0.00 C ATOM 94 C LEU A 7 27.884 6.198 -2.204 1.00 0.00 C ATOM 95 O LEU A 7 28.485 5.758 -3.164 1.00 0.00 O ATOM 96 CB LEU A 7 26.685 4.287 -1.091 1.00 0.00 C ATOM 97 CG LEU A 7 27.019 4.519 0.384 1.00 0.00 C ATOM 98 CD1 LEU A 7 25.761 4.971 1.128 1.00 0.00 C ATOM 99 CD2 LEU A 7 27.534 3.216 0.999 1.00 0.00 C ATOM 0 H LEU A 7 26.174 4.783 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 7 26.050 6.377 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 7 25.768 3.704 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 7 27.477 3.710 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 7 27.786 5.290 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 7 25.999 5.136 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.392 5.898 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 7 24.994 4.201 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 7 27.773 3.379 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.767 2.446 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 7 28.430 2.893 0.469 1.00 0.00 H new ATOM 111 N GLN A 8 28.377 7.168 -1.483 1.00 0.00 N ATOM 112 CA GLN A 8 29.701 7.757 -1.834 1.00 0.00 C ATOM 113 C GLN A 8 30.617 7.770 -0.606 1.00 0.00 C ATOM 114 O GLN A 8 30.214 8.146 0.477 1.00 0.00 O ATOM 115 CB GLN A 8 29.394 9.185 -2.288 1.00 0.00 C ATOM 116 CG GLN A 8 28.185 9.175 -3.227 1.00 0.00 C ATOM 117 CD GLN A 8 28.170 10.462 -4.054 1.00 0.00 C ATOM 118 OE1 GLN A 8 27.537 11.430 -3.682 1.00 0.00 O ATOM 119 NE2 GLN A 8 28.847 10.515 -5.169 1.00 0.00 N ATOM 0 H GLN A 8 27.921 7.578 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 8 30.214 7.185 -2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.191 9.817 -1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 8 30.259 9.610 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 8 28.230 8.308 -3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 8 27.264 9.090 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 8 29.379 9.703 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 8 28.844 11.369 -5.727 1.00 0.00 H new ATOM 128 N ILE A 9 31.847 7.363 -0.768 1.00 0.00 N ATOM 129 CA ILE A 9 32.787 7.353 0.390 1.00 0.00 C ATOM 130 C ILE A 9 34.098 8.048 0.012 1.00 0.00 C ATOM 131 O ILE A 9 34.582 7.922 -1.095 1.00 0.00 O ATOM 132 CB ILE A 9 33.033 5.874 0.687 1.00 0.00 C ATOM 133 CG1 ILE A 9 31.723 5.218 1.129 1.00 0.00 C ATOM 134 CG2 ILE A 9 34.069 5.743 1.804 1.00 0.00 C ATOM 135 CD1 ILE A 9 31.598 3.839 0.478 1.00 0.00 C ATOM 0 H ILE A 9 32.241 7.037 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 9 32.384 7.881 1.254 1.00 0.00 H new ATOM 0 HB ILE A 9 33.403 5.380 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 9 31.700 5.123 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 9 30.877 5.844 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 9 34.244 4.688 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 9 35.003 6.210 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 9 33.700 6.237 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 9 30.665 3.371 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 9 31.602 3.947 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 9 32.438 3.215 0.784 1.00 0.00 H new ATOM 147 N ARG A 10 34.677 8.779 0.925 1.00 0.00 N ATOM 148 CA ARG A 10 35.956 9.480 0.617 1.00 0.00 C ATOM 149 C ARG A 10 37.105 8.856 1.415 1.00 0.00 C ATOM 150 O ARG A 10 37.921 9.548 1.990 1.00 0.00 O ATOM 151 CB ARG A 10 35.729 10.929 1.046 1.00 0.00 C ATOM 152 CG ARG A 10 35.449 10.980 2.549 1.00 0.00 C ATOM 153 CD ARG A 10 34.137 11.726 2.800 1.00 0.00 C ATOM 154 NE ARG A 10 34.441 13.152 2.499 1.00 0.00 N ATOM 155 CZ ARG A 10 33.468 14.008 2.342 1.00 0.00 C ATOM 156 NH1 ARG A 10 32.570 13.813 1.416 1.00 0.00 N ATOM 157 NH2 ARG A 10 33.394 15.060 3.112 1.00 0.00 N ATOM 0 H ARG A 10 34.320 8.921 1.870 1.00 0.00 H new ATOM 0 HA ARG A 10 36.224 9.406 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 10 36.606 11.531 0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 10 34.891 11.355 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 10 35.388 9.969 2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 10 36.268 11.480 3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 10 33.340 11.349 2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 10 33.804 11.602 3.830 1.00 0.00 H new ATOM 0 HE ARG A 10 35.410 13.460 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.628 12.991 0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 10 31.810 14.482 1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 10 34.096 15.213 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 10 32.634 15.729 2.990 1.00 0.00 H new ATOM 171 N GLY A 11 37.174 7.553 1.453 1.00 0.00 N ATOM 172 CA GLY A 11 38.270 6.887 2.213 1.00 0.00 C ATOM 173 C GLY A 11 38.504 5.485 1.647 1.00 0.00 C ATOM 174 O GLY A 11 37.577 4.735 1.417 1.00 0.00 O ATOM 0 H GLY A 11 36.520 6.921 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 11 39.185 7.476 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 11 38.009 6.825 3.270 1.00 0.00 H new ATOM 178 N ARG A 12 39.738 5.126 1.420 1.00 0.00 N ATOM 179 CA ARG A 12 40.031 3.772 0.868 1.00 0.00 C ATOM 180 C ARG A 12 39.825 2.704 1.947 1.00 0.00 C ATOM 181 O ARG A 12 39.168 1.705 1.727 1.00 0.00 O ATOM 182 CB ARG A 12 41.498 3.829 0.441 1.00 0.00 C ATOM 183 CG ARG A 12 41.706 2.945 -0.791 1.00 0.00 C ATOM 184 CD ARG A 12 43.063 3.262 -1.424 1.00 0.00 C ATOM 185 NE ARG A 12 43.276 2.188 -2.433 1.00 0.00 N ATOM 186 CZ ARG A 12 44.433 2.068 -3.025 1.00 0.00 C ATOM 187 NH1 ARG A 12 45.530 2.059 -2.318 1.00 0.00 N ATOM 188 NH2 ARG A 12 44.493 1.958 -4.324 1.00 0.00 N ATOM 0 H ARG A 12 40.556 5.711 1.593 1.00 0.00 H new ATOM 0 HA ARG A 12 39.374 3.513 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 12 41.783 4.857 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 12 42.138 3.492 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 12 41.661 1.893 -0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 12 40.907 3.115 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 12 43.061 4.247 -1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 12 43.856 3.265 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 12 42.517 1.546 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 12 45.483 2.146 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 12 46.434 1.965 -2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 12 43.636 1.966 -4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 12 45.397 1.864 -4.787 1.00 0.00 H new ATOM 202 N GLU A 13 40.381 2.906 3.109 1.00 0.00 N ATOM 203 CA GLU A 13 40.218 1.902 4.200 1.00 0.00 C ATOM 204 C GLU A 13 38.734 1.596 4.422 1.00 0.00 C ATOM 205 O GLU A 13 38.355 0.475 4.697 1.00 0.00 O ATOM 206 CB GLU A 13 40.818 2.564 5.441 1.00 0.00 C ATOM 207 CG GLU A 13 42.273 2.945 5.164 1.00 0.00 C ATOM 208 CD GLU A 13 43.063 2.927 6.474 1.00 0.00 C ATOM 209 OE1 GLU A 13 43.565 1.872 6.826 1.00 0.00 O ATOM 210 OE2 GLU A 13 43.151 3.968 7.104 1.00 0.00 O ATOM 0 H GLU A 13 40.942 3.723 3.351 1.00 0.00 H new ATOM 0 HA GLU A 13 40.706 0.956 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 13 40.243 3.451 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 13 40.765 1.883 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 13 42.713 2.247 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 13 42.321 3.935 4.712 1.00 0.00 H new ATOM 217 N ARG A 14 37.891 2.584 4.299 1.00 0.00 N ATOM 218 CA ARG A 14 36.436 2.354 4.495 1.00 0.00 C ATOM 219 C ARG A 14 35.830 1.814 3.202 1.00 0.00 C ATOM 220 O ARG A 14 35.109 0.833 3.196 1.00 0.00 O ATOM 221 CB ARG A 14 35.859 3.730 4.827 1.00 0.00 C ATOM 222 CG ARG A 14 36.753 4.430 5.854 1.00 0.00 C ATOM 223 CD ARG A 14 37.073 3.465 6.999 1.00 0.00 C ATOM 224 NE ARG A 14 37.999 4.219 7.889 1.00 0.00 N ATOM 225 CZ ARG A 14 38.761 3.577 8.733 1.00 0.00 C ATOM 226 NH1 ARG A 14 38.497 2.336 9.038 1.00 0.00 N ATOM 227 NH2 ARG A 14 39.787 4.177 9.272 1.00 0.00 N ATOM 0 H ARG A 14 38.150 3.544 4.070 1.00 0.00 H new ATOM 0 HA ARG A 14 36.225 1.630 5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 14 35.787 4.333 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 14 34.848 3.626 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 14 37.675 4.766 5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 14 36.253 5.317 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 14 36.169 3.169 7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 14 37.538 2.552 6.628 1.00 0.00 H new ATOM 0 HE ARG A 14 38.038 5.237 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 14 37.695 1.867 8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 14 39.093 1.835 9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 14 39.993 5.147 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 14 40.382 3.676 9.931 1.00 0.00 H new ATOM 241 N PHE A 15 36.123 2.451 2.102 1.00 0.00 N ATOM 242 CA PHE A 15 35.571 1.978 0.808 1.00 0.00 C ATOM 243 C PHE A 15 35.779 0.469 0.681 1.00 0.00 C ATOM 244 O PHE A 15 34.879 -0.265 0.324 1.00 0.00 O ATOM 245 CB PHE A 15 36.357 2.725 -0.269 1.00 0.00 C ATOM 246 CG PHE A 15 35.816 2.355 -1.629 1.00 0.00 C ATOM 247 CD1 PHE A 15 34.440 2.156 -1.804 1.00 0.00 C ATOM 248 CD2 PHE A 15 36.687 2.208 -2.714 1.00 0.00 C ATOM 249 CE1 PHE A 15 33.938 1.811 -3.064 1.00 0.00 C ATOM 250 CE2 PHE A 15 36.184 1.862 -3.974 1.00 0.00 C ATOM 251 CZ PHE A 15 34.809 1.664 -4.149 1.00 0.00 C ATOM 0 H PHE A 15 36.720 3.276 2.046 1.00 0.00 H new ATOM 0 HA PHE A 15 34.501 2.166 0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 15 36.277 3.801 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 15 37.415 2.472 -0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 15 33.767 2.269 -0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 15 37.748 2.361 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 15 32.877 1.658 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 15 36.857 1.748 -4.811 1.00 0.00 H new ATOM 0 HZ PHE A 15 34.421 1.398 -5.121 1.00 0.00 H new ATOM 261 N GLU A 16 36.960 -0.001 0.979 1.00 0.00 N ATOM 262 CA GLU A 16 37.220 -1.464 0.884 1.00 0.00 C ATOM 263 C GLU A 16 36.068 -2.228 1.536 1.00 0.00 C ATOM 264 O GLU A 16 35.645 -3.262 1.059 1.00 0.00 O ATOM 265 CB GLU A 16 38.522 -1.689 1.654 1.00 0.00 C ATOM 266 CG GLU A 16 39.708 -1.269 0.784 1.00 0.00 C ATOM 267 CD GLU A 16 40.818 -2.316 0.894 1.00 0.00 C ATOM 268 OE1 GLU A 16 40.741 -3.308 0.188 1.00 0.00 O ATOM 269 OE2 GLU A 16 41.725 -2.108 1.683 1.00 0.00 O ATOM 0 H GLU A 16 37.753 0.564 1.283 1.00 0.00 H new ATOM 0 HA GLU A 16 37.300 -1.812 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.514 -1.113 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.615 -2.739 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 16 39.392 -1.166 -0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 16 40.079 -0.295 1.103 1.00 0.00 H new ATOM 276 N GLN A 17 35.549 -1.717 2.620 1.00 0.00 N ATOM 277 CA GLN A 17 34.415 -2.408 3.297 1.00 0.00 C ATOM 278 C GLN A 17 33.171 -2.345 2.408 1.00 0.00 C ATOM 279 O GLN A 17 32.502 -3.335 2.190 1.00 0.00 O ATOM 280 CB GLN A 17 34.194 -1.630 4.594 1.00 0.00 C ATOM 281 CG GLN A 17 35.517 -1.519 5.352 1.00 0.00 C ATOM 282 CD GLN A 17 35.244 -1.479 6.856 1.00 0.00 C ATOM 283 OE1 GLN A 17 34.109 -1.371 7.276 1.00 0.00 O ATOM 284 NE2 GLN A 17 36.244 -1.562 7.690 1.00 0.00 N ATOM 0 H GLN A 17 35.860 -0.853 3.065 1.00 0.00 H new ATOM 0 HA GLN A 17 34.619 -3.461 3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 17 33.805 -0.636 4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 17 33.450 -2.134 5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.158 -2.367 5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.050 -0.619 5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 17 37.197 -1.653 7.337 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.073 -1.536 8.695 1.00 0.00 H new ATOM 293 N PHE A 18 32.862 -1.189 1.886 1.00 0.00 N ATOM 294 CA PHE A 18 31.666 -1.070 1.001 1.00 0.00 C ATOM 295 C PHE A 18 31.947 -1.747 -0.344 1.00 0.00 C ATOM 296 O PHE A 18 31.213 -2.612 -0.780 1.00 0.00 O ATOM 297 CB PHE A 18 31.451 0.432 0.815 1.00 0.00 C ATOM 298 CG PHE A 18 31.110 1.059 2.146 1.00 0.00 C ATOM 299 CD1 PHE A 18 32.133 1.500 2.992 1.00 0.00 C ATOM 300 CD2 PHE A 18 29.772 1.198 2.534 1.00 0.00 C ATOM 301 CE1 PHE A 18 31.821 2.079 4.227 1.00 0.00 C ATOM 302 CE2 PHE A 18 29.459 1.777 3.770 1.00 0.00 C ATOM 303 CZ PHE A 18 30.483 2.218 4.616 1.00 0.00 C ATOM 0 H PHE A 18 33.383 -0.325 2.033 1.00 0.00 H new ATOM 0 HA PHE A 18 30.785 -1.551 1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 18 32.350 0.891 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.647 0.610 0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 18 33.165 1.393 2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.982 0.859 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 18 32.612 2.418 4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.427 1.883 4.071 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.241 2.665 5.569 1.00 0.00 H new ATOM 313 N ARG A 19 33.009 -1.365 -1.002 1.00 0.00 N ATOM 314 CA ARG A 19 33.341 -1.994 -2.313 1.00 0.00 C ATOM 315 C ARG A 19 33.225 -3.516 -2.202 1.00 0.00 C ATOM 316 O ARG A 19 32.372 -4.132 -2.815 1.00 0.00 O ATOM 317 CB ARG A 19 34.788 -1.584 -2.592 1.00 0.00 C ATOM 318 CG ARG A 19 35.049 -1.617 -4.099 1.00 0.00 C ATOM 319 CD ARG A 19 36.521 -1.298 -4.370 1.00 0.00 C ATOM 320 NE ARG A 19 37.210 -2.618 -4.352 1.00 0.00 N ATOM 321 CZ ARG A 19 38.203 -2.848 -5.168 1.00 0.00 C ATOM 322 NH1 ARG A 19 38.107 -2.509 -6.424 1.00 0.00 N ATOM 323 NH2 ARG A 19 39.292 -3.416 -4.727 1.00 0.00 N ATOM 0 H ARG A 19 33.660 -0.645 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 19 32.669 -1.678 -3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 19 34.975 -0.583 -2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 19 35.473 -2.259 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 19 34.799 -2.599 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 19 34.410 -0.893 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 19 36.647 -0.800 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 19 36.927 -0.630 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 19 36.906 -3.343 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 19 37.256 -2.064 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 19 38.883 -2.689 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 19 39.367 -3.680 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 19 40.068 -3.596 -5.365 1.00 0.00 H new ATOM 337 N GLU A 20 34.070 -4.129 -1.418 1.00 0.00 N ATOM 338 CA GLU A 20 33.999 -5.608 -1.262 1.00 0.00 C ATOM 339 C GLU A 20 32.552 -6.024 -0.991 1.00 0.00 C ATOM 340 O GLU A 20 32.063 -7.000 -1.527 1.00 0.00 O ATOM 341 CB GLU A 20 34.885 -5.925 -0.057 1.00 0.00 C ATOM 342 CG GLU A 20 35.009 -7.442 0.102 1.00 0.00 C ATOM 343 CD GLU A 20 36.371 -7.782 0.712 1.00 0.00 C ATOM 344 OE1 GLU A 20 36.753 -7.121 1.663 1.00 0.00 O ATOM 345 OE2 GLU A 20 37.007 -8.698 0.218 1.00 0.00 O ATOM 0 H GLU A 20 34.805 -3.670 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 20 34.329 -6.141 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 20 35.871 -5.481 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 20 34.459 -5.488 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 20 34.209 -7.818 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 20 34.900 -7.930 -0.867 1.00 0.00 H new ATOM 352 N ARG A 21 31.860 -5.282 -0.170 1.00 0.00 N ATOM 353 CA ARG A 21 30.442 -5.624 0.127 1.00 0.00 C ATOM 354 C ARG A 21 29.624 -5.584 -1.165 1.00 0.00 C ATOM 355 O ARG A 21 28.811 -6.449 -1.423 1.00 0.00 O ATOM 356 CB ARG A 21 29.968 -4.545 1.102 1.00 0.00 C ATOM 357 CG ARG A 21 28.616 -4.949 1.693 1.00 0.00 C ATOM 358 CD ARG A 21 28.841 -5.769 2.966 1.00 0.00 C ATOM 359 NE ARG A 21 27.540 -6.450 3.217 1.00 0.00 N ATOM 360 CZ ARG A 21 27.488 -7.752 3.286 1.00 0.00 C ATOM 361 NH1 ARG A 21 27.974 -8.477 2.316 1.00 0.00 N ATOM 362 NH2 ARG A 21 26.949 -8.330 4.325 1.00 0.00 N ATOM 0 H ARG A 21 32.216 -4.454 0.307 1.00 0.00 H new ATOM 0 HA ARG A 21 30.330 -6.623 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 21 30.700 -4.413 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 21 29.881 -3.588 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 21 28.026 -4.061 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 21 28.049 -5.532 0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 21 29.646 -6.492 2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.121 -5.130 3.804 1.00 0.00 H new ATOM 0 HE ARG A 21 26.690 -5.899 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 21 28.395 -8.026 1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 21 27.933 -9.495 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 21 26.568 -7.764 5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 21 26.909 -9.348 4.379 1.00 0.00 H new ATOM 376 N ASN A 22 29.843 -4.592 -1.985 1.00 0.00 N ATOM 377 CA ASN A 22 29.087 -4.507 -3.266 1.00 0.00 C ATOM 378 C ASN A 22 29.190 -5.841 -4.006 1.00 0.00 C ATOM 379 O ASN A 22 28.199 -6.419 -4.412 1.00 0.00 O ATOM 380 CB ASN A 22 29.769 -3.393 -4.060 1.00 0.00 C ATOM 381 CG ASN A 22 29.136 -3.294 -5.449 1.00 0.00 C ATOM 382 OD1 ASN A 22 29.440 -4.078 -6.326 1.00 0.00 O ATOM 383 ND2 ASN A 22 28.261 -2.355 -5.688 1.00 0.00 N ATOM 0 H ASN A 22 30.511 -3.839 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 22 28.028 -4.299 -3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 22 29.668 -2.443 -3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 22 30.836 -3.596 -4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.833 -2.280 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.006 -1.697 -4.952 1.00 0.00 H new ATOM 390 N GLU A 23 30.384 -6.343 -4.173 1.00 0.00 N ATOM 391 CA GLU A 23 30.546 -7.649 -4.872 1.00 0.00 C ATOM 392 C GLU A 23 29.632 -8.686 -4.217 1.00 0.00 C ATOM 393 O GLU A 23 28.837 -9.337 -4.871 1.00 0.00 O ATOM 394 CB GLU A 23 32.016 -8.025 -4.683 1.00 0.00 C ATOM 395 CG GLU A 23 32.543 -8.683 -5.960 1.00 0.00 C ATOM 396 CD GLU A 23 34.072 -8.633 -5.967 1.00 0.00 C ATOM 397 OE1 GLU A 23 34.626 -7.914 -5.151 1.00 0.00 O ATOM 398 OE2 GLU A 23 34.664 -9.315 -6.788 1.00 0.00 O ATOM 0 H GLU A 23 31.250 -5.907 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 23 30.282 -7.600 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 23 32.603 -7.136 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 23 32.122 -8.707 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 23 32.202 -9.717 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 23 32.148 -8.169 -6.836 1.00 0.00 H new ATOM 405 N ALA A 24 29.724 -8.830 -2.922 1.00 0.00 N ATOM 406 CA ALA A 24 28.846 -9.807 -2.225 1.00 0.00 C ATOM 407 C ALA A 24 27.394 -9.546 -2.626 1.00 0.00 C ATOM 408 O ALA A 24 26.595 -10.454 -2.744 1.00 0.00 O ATOM 409 CB ALA A 24 29.053 -9.538 -0.734 1.00 0.00 C ATOM 0 H ALA A 24 30.367 -8.315 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 24 29.077 -10.842 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 24 28.436 -10.222 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 24 30.102 -9.689 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 24 28.769 -8.511 -0.507 1.00 0.00 H new ATOM 415 N LEU A 25 27.054 -8.305 -2.851 1.00 0.00 N ATOM 416 CA LEU A 25 25.661 -7.977 -3.262 1.00 0.00 C ATOM 417 C LEU A 25 25.312 -8.755 -4.530 1.00 0.00 C ATOM 418 O LEU A 25 24.370 -9.522 -4.561 1.00 0.00 O ATOM 419 CB LEU A 25 25.671 -6.473 -3.540 1.00 0.00 C ATOM 420 CG LEU A 25 24.290 -5.889 -3.242 1.00 0.00 C ATOM 421 CD1 LEU A 25 24.314 -4.378 -3.479 1.00 0.00 C ATOM 422 CD2 LEU A 25 23.254 -6.533 -4.166 1.00 0.00 C ATOM 0 H LEU A 25 27.682 -7.505 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 25 24.924 -8.239 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 25 26.425 -5.984 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 25 25.940 -6.287 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 25 24.026 -6.090 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 25 23.330 -3.961 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 25 25.052 -3.918 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 25 24.577 -4.177 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 25 22.269 -6.117 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 25 23.517 -6.331 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 25 23.237 -7.610 -3.999 1.00 0.00 H new ATOM 434 N GLU A 26 26.076 -8.573 -5.573 1.00 0.00 N ATOM 435 CA GLU A 26 25.794 -9.317 -6.832 1.00 0.00 C ATOM 436 C GLU A 26 25.567 -10.793 -6.505 1.00 0.00 C ATOM 437 O GLU A 26 24.740 -11.454 -7.102 1.00 0.00 O ATOM 438 CB GLU A 26 27.047 -9.141 -7.690 1.00 0.00 C ATOM 439 CG GLU A 26 26.640 -8.910 -9.147 1.00 0.00 C ATOM 440 CD GLU A 26 27.884 -8.603 -9.982 1.00 0.00 C ATOM 441 OE1 GLU A 26 28.812 -9.394 -9.939 1.00 0.00 O ATOM 442 OE2 GLU A 26 27.888 -7.583 -10.651 1.00 0.00 O ATOM 0 H GLU A 26 26.879 -7.945 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 26 24.904 -8.954 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 26 27.634 -8.297 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 26 27.680 -10.025 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 26 26.135 -9.793 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 26 25.933 -8.083 -9.211 1.00 0.00 H new ATOM 449 N LEU A 27 26.293 -11.311 -5.550 1.00 0.00 N ATOM 450 CA LEU A 27 26.116 -12.742 -5.172 1.00 0.00 C ATOM 451 C LEU A 27 24.895 -12.894 -4.260 1.00 0.00 C ATOM 452 O LEU A 27 24.088 -13.786 -4.430 1.00 0.00 O ATOM 453 CB LEU A 27 27.395 -13.117 -4.422 1.00 0.00 C ATOM 454 CG LEU A 27 28.124 -14.227 -5.181 1.00 0.00 C ATOM 455 CD1 LEU A 27 29.599 -13.852 -5.339 1.00 0.00 C ATOM 456 CD2 LEU A 27 28.013 -15.537 -4.397 1.00 0.00 C ATOM 0 H LEU A 27 27.000 -10.805 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 27 25.952 -13.383 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 27 28.041 -12.244 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 27 27.153 -13.450 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 27 27.673 -14.352 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 27 30.119 -14.642 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 27 29.679 -12.918 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 27 30.050 -13.728 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 28.532 -16.329 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 27 28.465 -15.412 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 27 26.963 -15.804 -4.282 1.00 0.00 H new ATOM 468 N LYS A 28 24.752 -12.026 -3.294 1.00 0.00 N ATOM 469 CA LYS A 28 23.582 -12.118 -2.374 1.00 0.00 C ATOM 470 C LYS A 28 22.286 -11.855 -3.146 1.00 0.00 C ATOM 471 O LYS A 28 21.260 -12.447 -2.877 1.00 0.00 O ATOM 472 CB LYS A 28 23.819 -11.028 -1.324 1.00 0.00 C ATOM 473 CG LYS A 28 22.505 -10.699 -0.610 1.00 0.00 C ATOM 474 CD LYS A 28 21.901 -11.979 -0.027 1.00 0.00 C ATOM 475 CE LYS A 28 22.408 -12.180 1.403 1.00 0.00 C ATOM 476 NZ LYS A 28 22.135 -13.612 1.708 1.00 0.00 N ATOM 0 H LYS A 28 25.395 -11.258 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 28 23.485 -13.104 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 28 24.562 -11.363 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.219 -10.133 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 22.683 -9.975 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 28 21.805 -10.240 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.813 -11.915 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.173 -12.835 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.472 -11.955 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.892 -11.522 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.455 -13.828 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.114 -13.794 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.645 -14.215 1.031 1.00 0.00 H new ATOM 490 N ASP A 29 22.327 -10.972 -4.106 1.00 0.00 N ATOM 491 CA ASP A 29 21.099 -10.674 -4.897 1.00 0.00 C ATOM 492 C ASP A 29 20.746 -11.866 -5.788 1.00 0.00 C ATOM 493 O ASP A 29 19.624 -12.331 -5.804 1.00 0.00 O ATOM 494 CB ASP A 29 21.464 -9.457 -5.748 1.00 0.00 C ATOM 495 CG ASP A 29 20.278 -8.493 -5.797 1.00 0.00 C ATOM 496 OD1 ASP A 29 19.242 -8.884 -6.308 1.00 0.00 O ATOM 497 OD2 ASP A 29 20.427 -7.378 -5.324 1.00 0.00 O ATOM 0 H ASP A 29 23.157 -10.444 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 29 20.233 -10.483 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.336 -8.956 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.732 -9.772 -6.756 1.00 0.00 H new ATOM 502 N ALA A 30 21.697 -12.365 -6.530 1.00 0.00 N ATOM 503 CA ALA A 30 21.418 -13.528 -7.419 1.00 0.00 C ATOM 504 C ALA A 30 21.131 -14.776 -6.582 1.00 0.00 C ATOM 505 O ALA A 30 20.624 -15.764 -7.075 1.00 0.00 O ATOM 506 CB ALA A 30 22.695 -13.713 -8.239 1.00 0.00 C ATOM 0 H ALA A 30 22.655 -12.017 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 30 20.546 -13.365 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.571 -14.554 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.894 -12.807 -8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.532 -13.910 -7.569 1.00 0.00 H new ATOM 512 N GLN A 31 21.452 -14.740 -5.317 1.00 0.00 N ATOM 513 CA GLN A 31 21.197 -15.925 -4.449 1.00 0.00 C ATOM 514 C GLN A 31 19.732 -15.949 -4.007 1.00 0.00 C ATOM 515 O GLN A 31 18.962 -16.795 -4.418 1.00 0.00 O ATOM 516 CB GLN A 31 22.119 -15.740 -3.243 1.00 0.00 C ATOM 517 CG GLN A 31 23.224 -16.798 -3.278 1.00 0.00 C ATOM 518 CD GLN A 31 23.825 -16.954 -1.880 1.00 0.00 C ATOM 519 OE1 GLN A 31 24.274 -15.992 -1.289 1.00 0.00 O ATOM 520 NE2 GLN A 31 23.854 -18.134 -1.324 1.00 0.00 N ATOM 0 H GLN A 31 21.880 -13.942 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 31 21.388 -16.865 -4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 31 22.556 -14.742 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 31 21.548 -15.826 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 31 22.819 -17.751 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.998 -16.507 -3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 31 23.477 -18.941 -1.821 1.00 0.00 H new ATOM 0 HE22 GLN A 31 24.254 -18.249 -0.393 1.00 0.00 H new ATOM 529 N ALA A 32 19.339 -15.025 -3.173 1.00 0.00 N ATOM 530 CA ALA A 32 17.923 -14.993 -2.707 1.00 0.00 C ATOM 531 C ALA A 32 17.093 -14.073 -3.606 1.00 0.00 C ATOM 532 O ALA A 32 16.540 -13.088 -3.159 1.00 0.00 O ATOM 533 CB ALA A 32 17.986 -14.439 -1.284 1.00 0.00 C ATOM 0 H ALA A 32 19.937 -14.291 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 32 17.454 -15.977 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 32 16.979 -14.384 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.598 -15.095 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 32 18.426 -13.442 -1.301 1.00 0.00 H new ATOM 539 N GLY A 33 17.003 -14.386 -4.870 1.00 0.00 N ATOM 540 CA GLY A 33 16.211 -13.529 -5.795 1.00 0.00 C ATOM 541 C GLY A 33 14.858 -13.203 -5.160 1.00 0.00 C ATOM 542 O GLY A 33 14.539 -12.057 -4.909 1.00 0.00 O ATOM 0 H GLY A 33 17.444 -15.198 -5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.755 -12.609 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 33 16.064 -14.042 -6.746 1.00 0.00 H new ATOM 546 N LYS A 34 14.059 -14.200 -4.896 1.00 0.00 N ATOM 547 CA LYS A 34 12.727 -13.945 -4.277 1.00 0.00 C ATOM 548 C LYS A 34 12.742 -14.352 -2.801 1.00 0.00 C ATOM 549 O LYS A 34 12.030 -13.731 -2.029 1.00 0.00 O ATOM 550 CB LYS A 34 11.751 -14.820 -5.064 1.00 0.00 C ATOM 551 CG LYS A 34 11.381 -14.122 -6.374 1.00 0.00 C ATOM 552 CD LYS A 34 11.097 -15.172 -7.449 1.00 0.00 C ATOM 553 CE LYS A 34 12.033 -14.951 -8.640 1.00 0.00 C ATOM 554 NZ LYS A 34 11.457 -15.774 -9.739 1.00 0.00 N ATOM 555 OXT LYS A 34 13.466 -15.276 -2.469 1.00 0.00 O ATOM 0 H LYS A 34 14.271 -15.180 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 34 12.450 -12.891 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.202 -15.790 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.854 -15.005 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.505 -13.490 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.194 -13.470 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.240 -16.173 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.058 -15.105 -7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.078 -13.898 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.051 -15.262 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.044 -15.675 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.433 -16.773 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.490 -15.450 -9.945 1.00 0.00 H new TER 569 LYS A 34 ATOM 570 N ASP B 1 44.585 10.116 -10.088 1.00 0.00 N ATOM 571 CA ASP B 1 43.435 9.567 -10.865 1.00 0.00 C ATOM 572 C ASP B 1 42.117 9.882 -10.153 1.00 0.00 C ATOM 573 O ASP B 1 41.161 10.320 -10.761 1.00 0.00 O ATOM 574 CB ASP B 1 43.672 8.057 -10.913 1.00 0.00 C ATOM 575 CG ASP B 1 42.688 7.417 -11.894 1.00 0.00 C ATOM 576 OD1 ASP B 1 42.132 8.141 -12.703 1.00 0.00 O ATOM 577 OD2 ASP B 1 42.508 6.212 -11.820 1.00 0.00 O ATOM 0 H1 ASP B 1 45.474 9.896 -10.581 1.00 0.00 H new ATOM 0 H2 ASP B 1 44.484 11.147 -10.000 1.00 0.00 H new ATOM 0 H3 ASP B 1 44.600 9.688 -9.140 1.00 0.00 H new ATOM 0 HA ASP B 1 43.368 10.000 -11.863 1.00 0.00 H new ATOM 0 HB2 ASP B 1 44.697 7.849 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP B 1 43.544 7.626 -9.920 1.00 0.00 H new ATOM 584 N GLY B 2 42.060 9.661 -8.868 1.00 0.00 N ATOM 585 CA GLY B 2 40.804 9.947 -8.118 1.00 0.00 C ATOM 586 C GLY B 2 41.127 10.140 -6.635 1.00 0.00 C ATOM 587 O GLY B 2 42.138 9.678 -6.146 1.00 0.00 O ATOM 0 H GLY B 2 42.828 9.295 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY B 2 40.326 10.842 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY B 2 40.098 9.126 -8.243 1.00 0.00 H new ATOM 591 N GLU B 3 40.275 10.819 -5.916 1.00 0.00 N ATOM 592 CA GLU B 3 40.536 11.040 -4.464 1.00 0.00 C ATOM 593 C GLU B 3 39.569 10.206 -3.618 1.00 0.00 C ATOM 594 O GLU B 3 39.932 9.673 -2.588 1.00 0.00 O ATOM 595 CB GLU B 3 40.293 12.532 -4.240 1.00 0.00 C ATOM 596 CG GLU B 3 41.395 13.100 -3.344 1.00 0.00 C ATOM 597 CD GLU B 3 40.930 13.082 -1.887 1.00 0.00 C ATOM 598 OE1 GLU B 3 40.460 12.046 -1.448 1.00 0.00 O ATOM 599 OE2 GLU B 3 41.053 14.106 -1.234 1.00 0.00 O ATOM 0 H GLU B 3 39.411 11.230 -6.270 1.00 0.00 H new ATOM 0 HA GLU B 3 41.545 10.743 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU B 3 40.280 13.057 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU B 3 39.318 12.687 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU B 3 42.306 12.512 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU B 3 41.635 14.119 -3.647 1.00 0.00 H new ATOM 606 N TYR B 4 38.341 10.090 -4.045 1.00 0.00 N ATOM 607 CA TYR B 4 37.354 9.291 -3.263 1.00 0.00 C ATOM 608 C TYR B 4 36.713 8.223 -4.153 1.00 0.00 C ATOM 609 O TYR B 4 36.988 8.138 -5.334 1.00 0.00 O ATOM 610 CB TYR B 4 36.305 10.301 -2.798 1.00 0.00 C ATOM 611 CG TYR B 4 35.740 11.027 -3.995 1.00 0.00 C ATOM 612 CD1 TYR B 4 34.896 10.355 -4.887 1.00 0.00 C ATOM 613 CD2 TYR B 4 36.061 12.372 -4.213 1.00 0.00 C ATOM 614 CE1 TYR B 4 34.373 11.028 -5.998 1.00 0.00 C ATOM 615 CE2 TYR B 4 35.538 13.045 -5.324 1.00 0.00 C ATOM 616 CZ TYR B 4 34.694 12.373 -6.216 1.00 0.00 C ATOM 617 OH TYR B 4 34.178 13.037 -7.311 1.00 0.00 O ATOM 0 H TYR B 4 37.979 10.513 -4.900 1.00 0.00 H new ATOM 0 HA TYR B 4 37.817 8.770 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR B 4 35.507 9.790 -2.259 1.00 0.00 H new ATOM 0 HB3 TYR B 4 36.753 11.013 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR B 4 34.648 9.317 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR B 4 36.712 12.890 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR B 4 33.722 10.510 -6.686 1.00 0.00 H new ATOM 0 HE2 TYR B 4 35.786 14.083 -5.493 1.00 0.00 H new ATOM 0 HH TYR B 4 34.499 13.963 -7.313 1.00 0.00 H new ATOM 627 N PHE B 5 35.861 7.407 -3.596 1.00 0.00 N ATOM 628 CA PHE B 5 35.203 6.345 -4.409 1.00 0.00 C ATOM 629 C PHE B 5 33.682 6.519 -4.377 1.00 0.00 C ATOM 630 O PHE B 5 33.165 7.425 -3.754 1.00 0.00 O ATOM 631 CB PHE B 5 35.607 5.030 -3.743 1.00 0.00 C ATOM 632 CG PHE B 5 37.096 5.029 -3.493 1.00 0.00 C ATOM 633 CD1 PHE B 5 37.985 4.822 -4.555 1.00 0.00 C ATOM 634 CD2 PHE B 5 37.589 5.234 -2.198 1.00 0.00 C ATOM 635 CE1 PHE B 5 39.365 4.821 -4.323 1.00 0.00 C ATOM 636 CE2 PHE B 5 38.970 5.233 -1.966 1.00 0.00 C ATOM 637 CZ PHE B 5 39.858 5.026 -3.029 1.00 0.00 C ATOM 0 H PHE B 5 35.592 7.430 -2.612 1.00 0.00 H new ATOM 0 HA PHE B 5 35.503 6.381 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE B 5 35.070 4.906 -2.803 1.00 0.00 H new ATOM 0 HB3 PHE B 5 35.334 4.189 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE B 5 37.605 4.663 -5.554 1.00 0.00 H new ATOM 0 HD2 PHE B 5 36.904 5.393 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE B 5 40.050 4.662 -5.143 1.00 0.00 H new ATOM 0 HE2 PHE B 5 39.350 5.392 -0.968 1.00 0.00 H new ATOM 0 HZ PHE B 5 40.923 5.025 -2.850 1.00 0.00 H new ATOM 647 N THR B 6 32.961 5.659 -5.044 1.00 0.00 N ATOM 648 CA THR B 6 31.475 5.779 -5.050 1.00 0.00 C ATOM 649 C THR B 6 30.833 4.404 -5.255 1.00 0.00 C ATOM 650 O THR B 6 31.332 3.578 -5.993 1.00 0.00 O ATOM 651 CB THR B 6 31.158 6.701 -6.229 1.00 0.00 C ATOM 652 OG1 THR B 6 29.752 6.747 -6.427 1.00 0.00 O ATOM 653 CG2 THR B 6 31.836 6.169 -7.492 1.00 0.00 C ATOM 0 H THR B 6 33.336 4.879 -5.584 1.00 0.00 H new ATOM 0 HA THR B 6 31.088 6.171 -4.110 1.00 0.00 H new ATOM 0 HB THR B 6 31.528 7.704 -6.016 1.00 0.00 H new ATOM 0 HG1 THR B 6 29.547 7.339 -7.181 1.00 0.00 H new ATOM 0 HG21 THR B 6 31.609 6.827 -8.331 1.00 0.00 H new ATOM 0 HG22 THR B 6 32.915 6.135 -7.339 1.00 0.00 H new ATOM 0 HG23 THR B 6 31.468 5.166 -7.708 1.00 0.00 H new ATOM 661 N LEU B 7 29.728 4.153 -4.607 1.00 0.00 N ATOM 662 CA LEU B 7 29.053 2.832 -4.764 1.00 0.00 C ATOM 663 C LEU B 7 27.569 3.034 -5.083 1.00 0.00 C ATOM 664 O LEU B 7 26.924 3.911 -4.546 1.00 0.00 O ATOM 665 CB LEU B 7 29.222 2.140 -3.411 1.00 0.00 C ATOM 666 CG LEU B 7 29.066 0.629 -3.586 1.00 0.00 C ATOM 667 CD1 LEU B 7 30.320 0.060 -4.251 1.00 0.00 C ATOM 668 CD2 LEU B 7 28.875 -0.025 -2.216 1.00 0.00 C ATOM 0 H LEU B 7 29.263 4.805 -3.976 1.00 0.00 H new ATOM 0 HA LEU B 7 29.476 2.244 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU B 7 30.203 2.369 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU B 7 28.480 2.513 -2.705 1.00 0.00 H new ATOM 0 HG LEU B 7 28.198 0.424 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU B 7 30.209 -1.017 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU B 7 30.458 0.526 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU B 7 31.189 0.265 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU B 7 28.764 -1.102 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU B 7 29.744 0.181 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU B 7 27.982 0.380 -1.741 1.00 0.00 H new ATOM 680 N GLN B 8 27.022 2.228 -5.952 1.00 0.00 N ATOM 681 CA GLN B 8 25.579 2.379 -6.300 1.00 0.00 C ATOM 682 C GLN B 8 24.857 1.037 -6.157 1.00 0.00 C ATOM 683 O GLN B 8 25.337 0.012 -6.601 1.00 0.00 O ATOM 684 CB GLN B 8 25.566 2.841 -7.758 1.00 0.00 C ATOM 685 CG GLN B 8 26.613 3.939 -7.957 1.00 0.00 C ATOM 686 CD GLN B 8 26.287 4.733 -9.224 1.00 0.00 C ATOM 687 OE1 GLN B 8 26.789 4.433 -10.288 1.00 0.00 O ATOM 688 NE2 GLN B 8 25.460 5.740 -9.153 1.00 0.00 N ATOM 0 H GLN B 8 27.510 1.473 -6.435 1.00 0.00 H new ATOM 0 HA GLN B 8 25.070 3.086 -5.645 1.00 0.00 H new ATOM 0 HB2 GLN B 8 25.776 2.000 -8.419 1.00 0.00 H new ATOM 0 HB3 GLN B 8 24.577 3.215 -8.023 1.00 0.00 H new ATOM 0 HG2 GLN B 8 26.628 4.603 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN B 8 27.607 3.498 -8.037 1.00 0.00 H new ATOM 0 HE21 GLN B 8 25.038 5.992 -8.259 1.00 0.00 H new ATOM 0 HE22 GLN B 8 25.235 6.275 -9.992 1.00 0.00 H new ATOM 697 N ILE B 9 23.707 1.034 -5.541 1.00 0.00 N ATOM 698 CA ILE B 9 22.955 -0.242 -5.371 1.00 0.00 C ATOM 699 C ILE B 9 21.504 -0.066 -5.827 1.00 0.00 C ATOM 700 O ILE B 9 20.898 0.966 -5.618 1.00 0.00 O ATOM 701 CB ILE B 9 23.012 -0.540 -3.873 1.00 0.00 C ATOM 702 CG1 ILE B 9 24.465 -0.782 -3.457 1.00 0.00 C ATOM 703 CG2 ILE B 9 22.181 -1.787 -3.569 1.00 0.00 C ATOM 704 CD1 ILE B 9 24.734 -0.091 -2.119 1.00 0.00 C ATOM 0 H ILE B 9 23.255 1.860 -5.148 1.00 0.00 H new ATOM 0 HA ILE B 9 23.379 -1.052 -5.964 1.00 0.00 H new ATOM 0 HB ILE B 9 22.611 0.308 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE B 9 24.657 -1.852 -3.371 1.00 0.00 H new ATOM 0 HG13 ILE B 9 25.142 -0.397 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE B 9 22.222 -2.000 -2.501 1.00 0.00 H new ATOM 0 HG22 ILE B 9 21.146 -1.616 -3.866 1.00 0.00 H new ATOM 0 HG23 ILE B 9 22.582 -2.636 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE B 9 25.769 -0.263 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE B 9 24.559 0.980 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE B 9 24.066 -0.497 -1.359 1.00 0.00 H new ATOM 716 N ARG B 10 20.942 -1.067 -6.446 1.00 0.00 N ATOM 717 CA ARG B 10 19.530 -0.957 -6.913 1.00 0.00 C ATOM 718 C ARG B 10 18.631 -1.894 -6.103 1.00 0.00 C ATOM 719 O ARG B 10 17.797 -2.593 -6.645 1.00 0.00 O ATOM 720 CB ARG B 10 19.563 -1.381 -8.382 1.00 0.00 C ATOM 721 CG ARG B 10 20.040 -2.832 -8.485 1.00 0.00 C ATOM 722 CD ARG B 10 21.226 -2.913 -9.448 1.00 0.00 C ATOM 723 NE ARG B 10 20.639 -2.689 -10.799 1.00 0.00 N ATOM 724 CZ ARG B 10 21.417 -2.416 -11.810 1.00 0.00 C ATOM 725 NH1 ARG B 10 22.194 -1.368 -11.772 1.00 0.00 N ATOM 726 NH2 ARG B 10 21.417 -3.191 -12.860 1.00 0.00 N ATOM 0 H ARG B 10 21.398 -1.956 -6.649 1.00 0.00 H new ATOM 0 HA ARG B 10 19.132 0.050 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG B 10 18.571 -1.281 -8.823 1.00 0.00 H new ATOM 0 HB3 ARG B 10 20.229 -0.727 -8.945 1.00 0.00 H new ATOM 0 HG2 ARG B 10 20.331 -3.201 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG B 10 19.228 -3.469 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG B 10 21.977 -2.159 -9.214 1.00 0.00 H new ATOM 0 HD3 ARG B 10 21.719 -3.883 -9.387 1.00 0.00 H new ATOM 0 HE ARG B 10 19.630 -2.749 -10.933 1.00 0.00 H new ATOM 0 HH11 ARG B 10 22.193 -0.762 -10.952 1.00 0.00 H new ATOM 0 HH12 ARG B 10 22.802 -1.155 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG B 10 20.809 -4.009 -12.890 1.00 0.00 H new ATOM 0 HH22 ARG B 10 22.025 -2.978 -13.651 1.00 0.00 H new ATOM 740 N GLY B 11 18.793 -1.914 -4.808 1.00 0.00 N ATOM 741 CA GLY B 11 17.948 -2.806 -3.964 1.00 0.00 C ATOM 742 C GLY B 11 17.880 -2.249 -2.541 1.00 0.00 C ATOM 743 O GLY B 11 18.881 -1.878 -1.960 1.00 0.00 O ATOM 0 H GLY B 11 19.474 -1.351 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY B 11 16.945 -2.880 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY B 11 18.364 -3.814 -3.952 1.00 0.00 H new ATOM 747 N ARG B 12 16.707 -2.189 -1.972 1.00 0.00 N ATOM 748 CA ARG B 12 16.577 -1.656 -0.586 1.00 0.00 C ATOM 749 C ARG B 12 17.115 -2.673 0.424 1.00 0.00 C ATOM 750 O ARG B 12 17.909 -2.347 1.285 1.00 0.00 O ATOM 751 CB ARG B 12 15.077 -1.440 -0.382 1.00 0.00 C ATOM 752 CG ARG B 12 14.855 -0.230 0.528 1.00 0.00 C ATOM 753 CD ARG B 12 13.389 0.203 0.453 1.00 0.00 C ATOM 754 NE ARG B 12 13.226 1.196 1.551 1.00 0.00 N ATOM 755 CZ ARG B 12 12.036 1.623 1.873 1.00 0.00 C ATOM 756 NH1 ARG B 12 11.068 0.770 2.073 1.00 0.00 N ATOM 757 NH2 ARG B 12 11.812 2.903 1.995 1.00 0.00 N ATOM 0 H ARG B 12 15.833 -2.486 -2.407 1.00 0.00 H new ATOM 0 HA ARG B 12 17.144 -0.736 -0.443 1.00 0.00 H new ATOM 0 HB2 ARG B 12 14.588 -1.280 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG B 12 14.628 -2.329 0.061 1.00 0.00 H new ATOM 0 HG2 ARG B 12 15.119 -0.481 1.555 1.00 0.00 H new ATOM 0 HG3 ARG B 12 15.504 0.591 0.224 1.00 0.00 H new ATOM 0 HD2 ARG B 12 13.156 0.644 -0.516 1.00 0.00 H new ATOM 0 HD3 ARG B 12 12.719 -0.646 0.586 1.00 0.00 H new ATOM 0 HE ARG B 12 14.045 1.542 2.051 1.00 0.00 H new ATOM 0 HH11 ARG B 12 11.242 -0.230 1.978 1.00 0.00 H new ATOM 0 HH12 ARG B 12 10.138 1.104 2.325 1.00 0.00 H new ATOM 0 HH21 ARG B 12 12.568 3.570 1.839 1.00 0.00 H new ATOM 0 HH22 ARG B 12 10.881 3.236 2.247 1.00 0.00 H new ATOM 771 N GLU B 13 16.692 -3.904 0.325 1.00 0.00 N ATOM 772 CA GLU B 13 17.183 -4.939 1.279 1.00 0.00 C ATOM 773 C GLU B 13 18.713 -4.930 1.319 1.00 0.00 C ATOM 774 O GLU B 13 19.317 -5.084 2.362 1.00 0.00 O ATOM 775 CB GLU B 13 16.667 -6.267 0.724 1.00 0.00 C ATOM 776 CG GLU B 13 15.144 -6.211 0.602 1.00 0.00 C ATOM 777 CD GLU B 13 14.566 -7.619 0.758 1.00 0.00 C ATOM 778 OE1 GLU B 13 14.309 -8.011 1.884 1.00 0.00 O ATOM 779 OE2 GLU B 13 14.390 -8.280 -0.252 1.00 0.00 O ATOM 0 H GLU B 13 16.029 -4.237 -0.374 1.00 0.00 H new ATOM 0 HA GLU B 13 16.836 -4.763 2.297 1.00 0.00 H new ATOM 0 HB2 GLU B 13 17.114 -6.464 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU B 13 16.960 -7.086 1.381 1.00 0.00 H new ATOM 0 HG2 GLU B 13 14.732 -5.551 1.365 1.00 0.00 H new ATOM 0 HG3 GLU B 13 14.861 -5.796 -0.365 1.00 0.00 H new ATOM 786 N ARG B 14 19.342 -4.745 0.191 1.00 0.00 N ATOM 787 CA ARG B 14 20.832 -4.719 0.166 1.00 0.00 C ATOM 788 C ARG B 14 21.334 -3.340 0.596 1.00 0.00 C ATOM 789 O ARG B 14 22.193 -3.218 1.446 1.00 0.00 O ATOM 790 CB ARG B 14 21.212 -4.998 -1.289 1.00 0.00 C ATOM 791 CG ARG B 14 20.370 -6.157 -1.826 1.00 0.00 C ATOM 792 CD ARG B 14 20.386 -7.311 -0.821 1.00 0.00 C ATOM 793 NE ARG B 14 19.475 -8.336 -1.402 1.00 0.00 N ATOM 794 CZ ARG B 14 18.963 -9.262 -0.638 1.00 0.00 C ATOM 795 NH1 ARG B 14 19.479 -9.499 0.537 1.00 0.00 N ATOM 796 NH2 ARG B 14 17.935 -9.952 -1.050 1.00 0.00 N ATOM 0 H ARG B 14 18.890 -4.611 -0.713 1.00 0.00 H new ATOM 0 HA ARG B 14 21.272 -5.449 0.845 1.00 0.00 H new ATOM 0 HB2 ARG B 14 21.050 -4.107 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG B 14 22.272 -5.243 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG B 14 19.346 -5.826 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG B 14 20.763 -6.492 -2.786 1.00 0.00 H new ATOM 0 HD2 ARG B 14 21.393 -7.706 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG B 14 20.040 -6.986 0.160 1.00 0.00 H new ATOM 0 HE ARG B 14 19.251 -8.314 -2.397 1.00 0.00 H new ATOM 0 HH11 ARG B 14 20.283 -8.960 0.859 1.00 0.00 H new ATOM 0 HH12 ARG B 14 19.078 -10.223 1.133 1.00 0.00 H new ATOM 0 HH21 ARG B 14 17.532 -9.768 -1.969 1.00 0.00 H new ATOM 0 HH22 ARG B 14 17.534 -10.676 -0.453 1.00 0.00 H new ATOM 810 N PHE B 15 20.799 -2.298 0.019 1.00 0.00 N ATOM 811 CA PHE B 15 21.244 -0.928 0.401 1.00 0.00 C ATOM 812 C PHE B 15 21.281 -0.802 1.925 1.00 0.00 C ATOM 813 O PHE B 15 22.236 -0.312 2.494 1.00 0.00 O ATOM 814 CB PHE B 15 20.196 0.013 -0.193 1.00 0.00 C ATOM 815 CG PHE B 15 20.591 1.444 0.082 1.00 0.00 C ATOM 816 CD1 PHE B 15 21.940 1.818 0.038 1.00 0.00 C ATOM 817 CD2 PHE B 15 19.610 2.396 0.382 1.00 0.00 C ATOM 818 CE1 PHE B 15 22.307 3.145 0.294 1.00 0.00 C ATOM 819 CE2 PHE B 15 19.977 3.723 0.638 1.00 0.00 C ATOM 820 CZ PHE B 15 21.326 4.097 0.594 1.00 0.00 C ATOM 0 H PHE B 15 20.075 -2.336 -0.698 1.00 0.00 H new ATOM 0 HA PHE B 15 22.244 -0.697 0.035 1.00 0.00 H new ATOM 0 HB2 PHE B 15 20.111 -0.152 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE B 15 19.218 -0.195 0.240 1.00 0.00 H new ATOM 0 HD1 PHE B 15 22.697 1.083 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE B 15 18.570 2.107 0.416 1.00 0.00 H new ATOM 0 HE1 PHE B 15 23.347 3.434 0.260 1.00 0.00 H new ATOM 0 HE2 PHE B 15 19.220 4.458 0.869 1.00 0.00 H new ATOM 0 HZ PHE B 15 21.609 5.120 0.792 1.00 0.00 H new ATOM 830 N GLU B 16 20.250 -1.248 2.592 1.00 0.00 N ATOM 831 CA GLU B 16 20.236 -1.159 4.079 1.00 0.00 C ATOM 832 C GLU B 16 21.584 -1.624 4.633 1.00 0.00 C ATOM 833 O GLU B 16 22.104 -1.069 5.581 1.00 0.00 O ATOM 834 CB GLU B 16 19.116 -2.101 4.524 1.00 0.00 C ATOM 835 CG GLU B 16 17.763 -1.417 4.321 1.00 0.00 C ATOM 836 CD GLU B 16 16.879 -1.660 5.546 1.00 0.00 C ATOM 837 OE1 GLU B 16 17.026 -0.930 6.512 1.00 0.00 O ATOM 838 OE2 GLU B 16 16.070 -2.572 5.496 1.00 0.00 O ATOM 0 H GLU B 16 19.421 -1.668 2.173 1.00 0.00 H new ATOM 0 HA GLU B 16 20.072 -0.143 4.437 1.00 0.00 H new ATOM 0 HB2 GLU B 16 19.157 -3.027 3.951 1.00 0.00 H new ATOM 0 HB3 GLU B 16 19.247 -2.369 5.573 1.00 0.00 H new ATOM 0 HG2 GLU B 16 17.904 -0.347 4.168 1.00 0.00 H new ATOM 0 HG3 GLU B 16 17.277 -1.806 3.426 1.00 0.00 H new ATOM 845 N GLN B 17 22.158 -2.635 4.039 1.00 0.00 N ATOM 846 CA GLN B 17 23.476 -3.132 4.521 1.00 0.00 C ATOM 847 C GLN B 17 24.555 -2.081 4.248 1.00 0.00 C ATOM 848 O GLN B 17 25.348 -1.753 5.107 1.00 0.00 O ATOM 849 CB GLN B 17 23.741 -4.403 3.713 1.00 0.00 C ATOM 850 CG GLN B 17 22.537 -5.340 3.829 1.00 0.00 C ATOM 851 CD GLN B 17 23.008 -6.793 3.735 1.00 0.00 C ATOM 852 OE1 GLN B 17 24.154 -7.054 3.429 1.00 0.00 O ATOM 853 NE2 GLN B 17 22.165 -7.757 3.988 1.00 0.00 N ATOM 0 H GLN B 17 21.770 -3.138 3.241 1.00 0.00 H new ATOM 0 HA GLN B 17 23.483 -3.329 5.593 1.00 0.00 H new ATOM 0 HB2 GLN B 17 23.921 -4.152 2.668 1.00 0.00 H new ATOM 0 HB3 GLN B 17 24.639 -4.900 4.080 1.00 0.00 H new ATOM 0 HG2 GLN B 17 22.024 -5.174 4.776 1.00 0.00 H new ATOM 0 HG3 GLN B 17 21.820 -5.127 3.036 1.00 0.00 H new ATOM 0 HE21 GLN B 17 21.202 -7.538 4.245 1.00 0.00 H new ATOM 0 HE22 GLN B 17 22.469 -8.729 3.929 1.00 0.00 H new ATOM 862 N PHE B 18 24.583 -1.543 3.058 1.00 0.00 N ATOM 863 CA PHE B 18 25.604 -0.505 2.737 1.00 0.00 C ATOM 864 C PHE B 18 25.251 0.803 3.449 1.00 0.00 C ATOM 865 O PHE B 18 26.052 1.365 4.169 1.00 0.00 O ATOM 866 CB PHE B 18 25.536 -0.326 1.220 1.00 0.00 C ATOM 867 CG PHE B 18 25.935 -1.613 0.539 1.00 0.00 C ATOM 868 CD1 PHE B 18 24.976 -2.602 0.293 1.00 0.00 C ATOM 869 CD2 PHE B 18 27.265 -1.815 0.152 1.00 0.00 C ATOM 870 CE1 PHE B 18 25.346 -3.794 -0.340 1.00 0.00 C ATOM 871 CE2 PHE B 18 27.635 -3.008 -0.481 1.00 0.00 C ATOM 872 CZ PHE B 18 26.676 -3.997 -0.727 1.00 0.00 C ATOM 0 H PHE B 18 23.945 -1.777 2.297 1.00 0.00 H new ATOM 0 HA PHE B 18 26.604 -0.792 3.062 1.00 0.00 H new ATOM 0 HB2 PHE B 18 24.526 -0.043 0.922 1.00 0.00 H new ATOM 0 HB3 PHE B 18 26.198 0.482 0.909 1.00 0.00 H new ATOM 0 HD1 PHE B 18 23.950 -2.445 0.592 1.00 0.00 H new ATOM 0 HD2 PHE B 18 28.005 -1.052 0.341 1.00 0.00 H new ATOM 0 HE1 PHE B 18 24.606 -4.557 -0.530 1.00 0.00 H new ATOM 0 HE2 PHE B 18 28.661 -3.165 -0.780 1.00 0.00 H new ATOM 0 HZ PHE B 18 26.962 -4.917 -1.215 1.00 0.00 H new ATOM 882 N ARG B 19 24.052 1.287 3.261 1.00 0.00 N ATOM 883 CA ARG B 19 23.647 2.552 3.936 1.00 0.00 C ATOM 884 C ARG B 19 24.035 2.494 5.414 1.00 0.00 C ATOM 885 O ARG B 19 24.880 3.236 5.874 1.00 0.00 O ATOM 886 CB ARG B 19 22.127 2.617 3.780 1.00 0.00 C ATOM 887 CG ARG B 19 21.665 4.073 3.867 1.00 0.00 C ATOM 888 CD ARG B 19 20.136 4.127 3.812 1.00 0.00 C ATOM 889 NE ARG B 19 19.698 4.045 5.233 1.00 0.00 N ATOM 890 CZ ARG B 19 18.655 4.719 5.634 1.00 0.00 C ATOM 891 NH1 ARG B 19 18.513 5.969 5.286 1.00 0.00 N ATOM 892 NH2 ARG B 19 17.754 4.144 6.382 1.00 0.00 N ATOM 0 H ARG B 19 23.338 0.861 2.670 1.00 0.00 H new ATOM 0 HA ARG B 19 24.133 3.429 3.509 1.00 0.00 H new ATOM 0 HB2 ARG B 19 21.831 2.187 2.823 1.00 0.00 H new ATOM 0 HB3 ARG B 19 21.646 2.025 4.558 1.00 0.00 H new ATOM 0 HG2 ARG B 19 22.022 4.525 4.792 1.00 0.00 H new ATOM 0 HG3 ARG B 19 22.090 4.650 3.046 1.00 0.00 H new ATOM 0 HD2 ARG B 19 19.790 5.049 3.345 1.00 0.00 H new ATOM 0 HD3 ARG B 19 19.732 3.301 3.226 1.00 0.00 H new ATOM 0 HE ARG B 19 20.213 3.462 5.893 1.00 0.00 H new ATOM 0 HH11 ARG B 19 19.217 6.419 4.701 1.00 0.00 H new ATOM 0 HH12 ARG B 19 17.698 6.496 5.599 1.00 0.00 H new ATOM 0 HH21 ARG B 19 17.865 3.167 6.654 1.00 0.00 H new ATOM 0 HH22 ARG B 19 16.939 4.671 6.695 1.00 0.00 H new ATOM 906 N GLU B 20 23.432 1.609 6.161 1.00 0.00 N ATOM 907 CA GLU B 20 23.780 1.499 7.605 1.00 0.00 C ATOM 908 C GLU B 20 25.300 1.444 7.761 1.00 0.00 C ATOM 909 O GLU B 20 25.868 2.066 8.636 1.00 0.00 O ATOM 910 CB GLU B 20 23.142 0.189 8.071 1.00 0.00 C ATOM 911 CG GLU B 20 23.308 0.051 9.586 1.00 0.00 C ATOM 912 CD GLU B 20 22.129 -0.738 10.158 1.00 0.00 C ATOM 913 OE1 GLU B 20 21.776 -1.747 9.570 1.00 0.00 O ATOM 914 OE2 GLU B 20 21.600 -0.320 11.174 1.00 0.00 O ATOM 0 H GLU B 20 22.716 0.960 5.834 1.00 0.00 H new ATOM 0 HA GLU B 20 23.424 2.348 8.189 1.00 0.00 H new ATOM 0 HB2 GLU B 20 22.084 0.173 7.807 1.00 0.00 H new ATOM 0 HB3 GLU B 20 23.609 -0.656 7.565 1.00 0.00 H new ATOM 0 HG2 GLU B 20 24.245 -0.457 9.815 1.00 0.00 H new ATOM 0 HG3 GLU B 20 23.358 1.037 10.048 1.00 0.00 H new ATOM 921 N ARG B 21 25.963 0.711 6.908 1.00 0.00 N ATOM 922 CA ARG B 21 27.446 0.624 6.997 1.00 0.00 C ATOM 923 C ARG B 21 28.052 2.018 6.820 1.00 0.00 C ATOM 924 O ARG B 21 28.957 2.407 7.531 1.00 0.00 O ATOM 925 CB ARG B 21 27.861 -0.295 5.847 1.00 0.00 C ATOM 926 CG ARG B 21 29.332 -0.684 6.009 1.00 0.00 C ATOM 927 CD ARG B 21 29.434 -1.956 6.854 1.00 0.00 C ATOM 928 NE ARG B 21 30.855 -2.010 7.297 1.00 0.00 N ATOM 929 CZ ARG B 21 31.141 -2.042 8.569 1.00 0.00 C ATOM 930 NH1 ARG B 21 30.655 -1.134 9.371 1.00 0.00 N ATOM 931 NH2 ARG B 21 31.914 -2.983 9.041 1.00 0.00 N ATOM 0 H ARG B 21 25.541 0.169 6.154 1.00 0.00 H new ATOM 0 HA ARG B 21 27.787 0.242 7.959 1.00 0.00 H new ATOM 0 HB2 ARG B 21 27.237 -1.188 5.838 1.00 0.00 H new ATOM 0 HB3 ARG B 21 27.710 0.209 4.892 1.00 0.00 H new ATOM 0 HG2 ARG B 21 29.786 -0.847 5.031 1.00 0.00 H new ATOM 0 HG3 ARG B 21 29.883 0.127 6.485 1.00 0.00 H new ATOM 0 HD2 ARG B 21 28.756 -1.919 7.706 1.00 0.00 H new ATOM 0 HD3 ARG B 21 29.168 -2.839 6.273 1.00 0.00 H new ATOM 0 HE ARG B 21 31.605 -2.022 6.605 1.00 0.00 H new ATOM 0 HH11 ARG B 21 30.051 -0.399 9.003 1.00 0.00 H new ATOM 0 HH12 ARG B 21 30.879 -1.160 10.366 1.00 0.00 H new ATOM 0 HH21 ARG B 21 32.294 -3.693 8.415 1.00 0.00 H new ATOM 0 HH22 ARG B 21 32.138 -3.008 10.036 1.00 0.00 H new ATOM 945 N ASN B 22 27.550 2.777 5.883 1.00 0.00 N ATOM 946 CA ASN B 22 28.090 4.149 5.672 1.00 0.00 C ATOM 947 C ASN B 22 28.112 4.897 7.005 1.00 0.00 C ATOM 948 O ASN B 22 29.117 5.453 7.401 1.00 0.00 O ATOM 949 CB ASN B 22 27.122 4.816 4.694 1.00 0.00 C ATOM 950 CG ASN B 22 27.528 6.278 4.491 1.00 0.00 C ATOM 951 OD1 ASN B 22 27.243 7.120 5.319 1.00 0.00 O ATOM 952 ND2 ASN B 22 28.185 6.616 3.416 1.00 0.00 N ATOM 0 H ASN B 22 26.792 2.506 5.257 1.00 0.00 H new ATOM 0 HA ASN B 22 29.108 4.144 5.284 1.00 0.00 H new ATOM 0 HB2 ASN B 22 27.132 4.289 3.740 1.00 0.00 H new ATOM 0 HB3 ASN B 22 26.104 4.760 5.079 1.00 0.00 H new ATOM 0 HD21 ASN B 22 28.460 7.587 3.270 1.00 0.00 H new ATOM 0 HD22 ASN B 22 28.424 5.909 2.721 1.00 0.00 H new ATOM 959 N GLU B 23 27.011 4.903 7.709 1.00 0.00 N ATOM 960 CA GLU B 23 26.978 5.602 9.023 1.00 0.00 C ATOM 961 C GLU B 23 28.138 5.106 9.886 1.00 0.00 C ATOM 962 O GLU B 23 28.922 5.881 10.397 1.00 0.00 O ATOM 963 CB GLU B 23 25.637 5.219 9.648 1.00 0.00 C ATOM 964 CG GLU B 23 25.060 6.423 10.395 1.00 0.00 C ATOM 965 CD GLU B 23 23.560 6.218 10.615 1.00 0.00 C ATOM 966 OE1 GLU B 23 23.009 5.318 10.002 1.00 0.00 O ATOM 967 OE2 GLU B 23 22.988 6.963 11.393 1.00 0.00 O ATOM 0 H GLU B 23 26.138 4.456 7.431 1.00 0.00 H new ATOM 0 HA GLU B 23 27.078 6.683 8.929 1.00 0.00 H new ATOM 0 HB2 GLU B 23 24.943 4.891 8.874 1.00 0.00 H new ATOM 0 HB3 GLU B 23 25.769 4.382 10.333 1.00 0.00 H new ATOM 0 HG2 GLU B 23 25.565 6.546 11.353 1.00 0.00 H new ATOM 0 HG3 GLU B 23 25.233 7.335 9.824 1.00 0.00 H new ATOM 974 N ALA B 24 28.265 3.815 10.036 1.00 0.00 N ATOM 975 CA ALA B 24 29.388 3.273 10.848 1.00 0.00 C ATOM 976 C ALA B 24 30.701 3.869 10.343 1.00 0.00 C ATOM 977 O ALA B 24 31.619 4.115 11.101 1.00 0.00 O ATOM 978 CB ALA B 24 29.356 1.762 10.618 1.00 0.00 C ATOM 0 H ALA B 24 27.641 3.116 9.632 1.00 0.00 H new ATOM 0 HA ALA B 24 29.302 3.515 11.907 1.00 0.00 H new ATOM 0 HB1 ALA B 24 30.158 1.290 11.186 1.00 0.00 H new ATOM 0 HB2 ALA B 24 28.396 1.364 10.947 1.00 0.00 H new ATOM 0 HB3 ALA B 24 29.492 1.553 9.557 1.00 0.00 H new ATOM 984 N LEU B 25 30.788 4.116 9.064 1.00 0.00 N ATOM 985 CA LEU B 25 32.032 4.711 8.502 1.00 0.00 C ATOM 986 C LEU B 25 32.333 6.029 9.214 1.00 0.00 C ATOM 987 O LEU B 25 33.381 6.203 9.804 1.00 0.00 O ATOM 988 CB LEU B 25 31.721 4.957 7.025 1.00 0.00 C ATOM 989 CG LEU B 25 33.005 4.828 6.207 1.00 0.00 C ATOM 990 CD1 LEU B 25 32.689 5.019 4.723 1.00 0.00 C ATOM 991 CD2 LEU B 25 34.003 5.897 6.656 1.00 0.00 C ATOM 0 H LEU B 25 30.050 3.931 8.384 1.00 0.00 H new ATOM 0 HA LEU B 25 32.902 4.066 8.628 1.00 0.00 H new ATOM 0 HB2 LEU B 25 30.980 4.239 6.674 1.00 0.00 H new ATOM 0 HB3 LEU B 25 31.291 5.950 6.893 1.00 0.00 H new ATOM 0 HG LEU B 25 33.435 3.838 6.361 1.00 0.00 H new ATOM 0 HD11 LEU B 25 33.606 4.927 4.141 1.00 0.00 H new ATOM 0 HD12 LEU B 25 31.977 4.259 4.402 1.00 0.00 H new ATOM 0 HD13 LEU B 25 32.258 6.008 4.567 1.00 0.00 H new ATOM 0 HD21 LEU B 25 34.920 5.806 6.073 1.00 0.00 H new ATOM 0 HD22 LEU B 25 33.571 6.886 6.502 1.00 0.00 H new ATOM 0 HD23 LEU B 25 34.230 5.761 7.713 1.00 0.00 H new ATOM 1003 N GLU B 26 31.414 6.956 9.175 1.00 0.00 N ATOM 1004 CA GLU B 26 31.643 8.256 9.864 1.00 0.00 C ATOM 1005 C GLU B 26 32.165 7.997 11.278 1.00 0.00 C ATOM 1006 O GLU B 26 32.988 8.727 11.793 1.00 0.00 O ATOM 1007 CB GLU B 26 30.271 8.928 9.909 1.00 0.00 C ATOM 1008 CG GLU B 26 30.420 10.420 9.605 1.00 0.00 C ATOM 1009 CD GLU B 26 29.035 11.063 9.517 1.00 0.00 C ATOM 1010 OE1 GLU B 26 28.271 10.908 10.456 1.00 0.00 O ATOM 1011 OE2 GLU B 26 28.761 11.700 8.513 1.00 0.00 O ATOM 0 H GLU B 26 30.517 6.869 8.697 1.00 0.00 H new ATOM 0 HA GLU B 26 32.378 8.880 9.355 1.00 0.00 H new ATOM 0 HB2 GLU B 26 29.603 8.464 9.183 1.00 0.00 H new ATOM 0 HB3 GLU B 26 29.819 8.790 10.891 1.00 0.00 H new ATOM 0 HG2 GLU B 26 31.009 10.904 10.384 1.00 0.00 H new ATOM 0 HG3 GLU B 26 30.958 10.559 8.667 1.00 0.00 H new ATOM 1018 N LEU B 27 31.696 6.952 11.904 1.00 0.00 N ATOM 1019 CA LEU B 27 32.166 6.630 13.281 1.00 0.00 C ATOM 1020 C LEU B 27 33.509 5.897 13.211 1.00 0.00 C ATOM 1021 O LEU B 27 34.428 6.192 13.948 1.00 0.00 O ATOM 1022 CB LEU B 27 31.086 5.719 13.866 1.00 0.00 C ATOM 1023 CG LEU B 27 30.453 6.393 15.085 1.00 0.00 C ATOM 1024 CD1 LEU B 27 28.929 6.334 14.967 1.00 0.00 C ATOM 1025 CD2 LEU B 27 30.894 5.663 16.356 1.00 0.00 C ATOM 0 H LEU B 27 31.006 6.306 11.520 1.00 0.00 H new ATOM 0 HA LEU B 27 32.316 7.521 13.891 1.00 0.00 H new ATOM 0 HB2 LEU B 27 30.324 5.513 13.115 1.00 0.00 H new ATOM 0 HB3 LEU B 27 31.520 4.761 14.152 1.00 0.00 H new ATOM 0 HG LEU B 27 30.774 7.434 15.132 1.00 0.00 H new ATOM 0 HD11 LEU B 27 28.478 6.814 15.835 1.00 0.00 H new ATOM 0 HD12 LEU B 27 28.614 6.852 14.061 1.00 0.00 H new ATOM 0 HD13 LEU B 27 28.608 5.293 14.920 1.00 0.00 H new ATOM 0 HD21 LEU B 27 30.444 6.142 17.225 1.00 0.00 H new ATOM 0 HD22 LEU B 27 30.573 4.623 16.308 1.00 0.00 H new ATOM 0 HD23 LEU B 27 31.980 5.704 16.441 1.00 0.00 H new ATOM 1037 N LYS B 28 33.628 4.946 12.324 1.00 0.00 N ATOM 1038 CA LYS B 28 34.911 4.197 12.200 1.00 0.00 C ATOM 1039 C LYS B 28 36.019 5.136 11.716 1.00 0.00 C ATOM 1040 O LYS B 28 37.161 5.023 12.114 1.00 0.00 O ATOM 1041 CB LYS B 28 34.633 3.104 11.163 1.00 0.00 C ATOM 1042 CG LYS B 28 35.954 2.565 10.605 1.00 0.00 C ATOM 1043 CD LYS B 28 36.853 2.108 11.757 1.00 0.00 C ATOM 1044 CE LYS B 28 36.599 0.627 12.047 1.00 0.00 C ATOM 1045 NZ LYS B 28 37.155 0.402 13.410 1.00 0.00 N ATOM 0 H LYS B 28 32.892 4.656 11.680 1.00 0.00 H new ATOM 0 HA LYS B 28 35.243 3.777 13.149 1.00 0.00 H new ATOM 0 HB2 LYS B 28 34.064 2.294 11.619 1.00 0.00 H new ATOM 0 HB3 LYS B 28 34.023 3.505 10.354 1.00 0.00 H new ATOM 0 HG2 LYS B 28 35.761 1.732 9.929 1.00 0.00 H new ATOM 0 HG3 LYS B 28 36.457 3.338 10.023 1.00 0.00 H new ATOM 0 HD2 LYS B 28 37.900 2.264 11.499 1.00 0.00 H new ATOM 0 HD3 LYS B 28 36.652 2.703 12.648 1.00 0.00 H new ATOM 0 HE2 LYS B 28 35.535 0.394 12.011 1.00 0.00 H new ATOM 0 HE3 LYS B 28 37.089 -0.009 11.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 37.019 -0.593 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 38.171 0.625 13.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 36.664 1.016 14.091 1.00 0.00 H new ATOM 1059 N ASP B 29 35.688 6.066 10.862 1.00 0.00 N ATOM 1060 CA ASP B 29 36.720 7.016 10.356 1.00 0.00 C ATOM 1061 C ASP B 29 37.143 7.974 11.472 1.00 0.00 C ATOM 1062 O ASP B 29 38.315 8.159 11.734 1.00 0.00 O ATOM 1063 CB ASP B 29 36.033 7.780 9.224 1.00 0.00 C ATOM 1064 CG ASP B 29 37.016 7.974 8.068 1.00 0.00 C ATOM 1065 OD1 ASP B 29 38.019 8.636 8.274 1.00 0.00 O ATOM 1066 OD2 ASP B 29 36.748 7.458 6.995 1.00 0.00 O ATOM 0 H ASP B 29 34.748 6.209 10.493 1.00 0.00 H new ATOM 0 HA ASP B 29 37.621 6.507 10.014 1.00 0.00 H new ATOM 0 HB2 ASP B 29 35.156 7.231 8.881 1.00 0.00 H new ATOM 0 HB3 ASP B 29 35.683 8.748 9.584 1.00 0.00 H new ATOM 1071 N ALA B 30 36.197 8.585 12.131 1.00 0.00 N ATOM 1072 CA ALA B 30 36.544 9.530 13.231 1.00 0.00 C ATOM 1073 C ALA B 30 37.158 8.768 14.408 1.00 0.00 C ATOM 1074 O ALA B 30 37.755 9.349 15.293 1.00 0.00 O ATOM 1075 CB ALA B 30 35.215 10.167 13.639 1.00 0.00 C ATOM 0 H ALA B 30 35.199 8.471 11.956 1.00 0.00 H new ATOM 0 HA ALA B 30 37.275 10.276 12.920 1.00 0.00 H new ATOM 0 HB1 ALA B 30 35.385 10.878 14.447 1.00 0.00 H new ATOM 0 HB2 ALA B 30 34.783 10.687 12.784 1.00 0.00 H new ATOM 0 HB3 ALA B 30 34.528 9.391 13.977 1.00 0.00 H new ATOM 1081 N GLN B 31 37.017 7.471 14.425 1.00 0.00 N ATOM 1082 CA GLN B 31 37.593 6.673 15.545 1.00 0.00 C ATOM 1083 C GLN B 31 39.088 6.440 15.312 1.00 0.00 C ATOM 1084 O GLN B 31 39.926 6.972 16.013 1.00 0.00 O ATOM 1085 CB GLN B 31 36.832 5.347 15.520 1.00 0.00 C ATOM 1086 CG GLN B 31 35.937 5.248 16.757 1.00 0.00 C ATOM 1087 CD GLN B 31 35.576 3.783 17.011 1.00 0.00 C ATOM 1088 OE1 GLN B 31 35.056 3.114 16.141 1.00 0.00 O ATOM 1089 NE2 GLN B 31 35.830 3.255 18.177 1.00 0.00 N ATOM 0 H GLN B 31 36.528 6.929 13.712 1.00 0.00 H new ATOM 0 HA GLN B 31 37.496 7.179 16.506 1.00 0.00 H new ATOM 0 HB2 GLN B 31 36.228 5.279 14.615 1.00 0.00 H new ATOM 0 HB3 GLN B 31 37.534 4.513 15.498 1.00 0.00 H new ATOM 0 HG2 GLN B 31 36.451 5.663 17.624 1.00 0.00 H new ATOM 0 HG3 GLN B 31 35.031 5.837 16.611 1.00 0.00 H new ATOM 0 HE21 GLN B 31 36.267 3.817 18.907 1.00 0.00 H new ATOM 0 HE22 GLN B 31 35.592 2.280 18.358 1.00 0.00 H new ATOM 1098 N ALA B 32 39.429 5.649 14.331 1.00 0.00 N ATOM 1099 CA ALA B 32 40.870 5.385 14.053 1.00 0.00 C ATOM 1100 C ALA B 32 41.395 6.370 13.004 1.00 0.00 C ATOM 1101 O ALA B 32 41.829 5.983 11.938 1.00 0.00 O ATOM 1102 CB ALA B 32 40.913 3.954 13.514 1.00 0.00 C ATOM 0 H ALA B 32 38.773 5.175 13.711 1.00 0.00 H new ATOM 0 HA ALA B 32 41.491 5.505 14.941 1.00 0.00 H new ATOM 0 HB1 ALA B 32 41.943 3.683 13.284 1.00 0.00 H new ATOM 0 HB2 ALA B 32 40.516 3.270 14.265 1.00 0.00 H new ATOM 0 HB3 ALA B 32 40.310 3.888 12.608 1.00 0.00 H new ATOM 1108 N GLY B 33 41.356 7.640 13.300 1.00 0.00 N ATOM 1109 CA GLY B 33 41.851 8.649 12.320 1.00 0.00 C ATOM 1110 C GLY B 33 43.203 8.203 11.762 1.00 0.00 C ATOM 1111 O GLY B 33 43.352 7.978 10.577 1.00 0.00 O ATOM 0 H GLY B 33 41.003 8.023 14.177 1.00 0.00 H new ATOM 0 HA2 GLY B 33 41.132 8.766 11.509 1.00 0.00 H new ATOM 0 HA3 GLY B 33 41.948 9.622 12.802 1.00 0.00 H new ATOM 1115 N LYS B 34 44.191 8.074 12.605 1.00 0.00 N ATOM 1116 CA LYS B 34 45.533 7.643 12.120 1.00 0.00 C ATOM 1117 C LYS B 34 45.798 6.188 12.518 1.00 0.00 C ATOM 1118 O LYS B 34 46.496 5.511 11.781 1.00 0.00 O ATOM 1119 CB LYS B 34 46.524 8.578 12.814 1.00 0.00 C ATOM 1120 CG LYS B 34 46.578 9.912 12.066 1.00 0.00 C ATOM 1121 CD LYS B 34 46.885 11.040 13.054 1.00 0.00 C ATOM 1122 CE LYS B 34 45.767 12.084 13.001 1.00 0.00 C ATOM 1123 NZ LYS B 34 46.316 13.270 13.714 1.00 0.00 N ATOM 1124 OXT LYS B 34 45.298 5.777 13.551 1.00 0.00 O ATOM 0 H LYS B 34 44.127 8.248 13.608 1.00 0.00 H new ATOM 0 HA LYS B 34 45.616 7.695 11.034 1.00 0.00 H new ATOM 0 HB2 LYS B 34 46.223 8.741 13.849 1.00 0.00 H new ATOM 0 HB3 LYS B 34 47.514 8.122 12.838 1.00 0.00 H new ATOM 0 HG2 LYS B 34 47.343 9.875 11.291 1.00 0.00 H new ATOM 0 HG3 LYS B 34 45.627 10.100 11.567 1.00 0.00 H new ATOM 0 HD2 LYS B 34 46.975 10.639 14.064 1.00 0.00 H new ATOM 0 HD3 LYS B 34 47.841 11.503 12.808 1.00 0.00 H new ATOM 0 HE2 LYS B 34 45.503 12.329 11.972 1.00 0.00 H new ATOM 0 HE3 LYS B 34 44.861 11.717 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 45.607 14.031 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 46.552 13.008 14.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 47.174 13.601 13.228 1.00 0.00 H new TER 1138 LYS B 34