USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 297 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 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 143:sc= 0.156 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 126:sc= 0.0202 USER MOD Single : A 26 GLN : amide:sc=-0.00338 K(o=-0.0034,f=-1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -18.238 4.972 -12.626 1.00 0.00 N ATOM 2 CA LEU A 1 -16.799 5.247 -12.501 1.00 0.00 C ATOM 3 C LEU A 1 -16.557 5.955 -11.182 1.00 0.00 C ATOM 4 O LEU A 1 -17.470 6.609 -10.705 1.00 0.00 O ATOM 5 CB LEU A 1 -16.225 6.138 -13.649 1.00 0.00 C ATOM 6 CG LEU A 1 -15.555 5.364 -14.826 1.00 0.00 C ATOM 7 CD1 LEU A 1 -16.508 4.351 -15.517 1.00 0.00 C ATOM 8 CD2 LEU A 1 -15.020 6.376 -15.880 1.00 0.00 C ATOM 0 H1 LEU A 1 -18.530 5.092 -13.617 1.00 0.00 H new ATOM 0 H2 LEU A 1 -18.433 3.996 -12.323 1.00 0.00 H new ATOM 0 H3 LEU A 1 -18.771 5.633 -12.026 1.00 0.00 H new ATOM 0 HA LEU A 1 -16.288 4.286 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -17.034 6.748 -14.051 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -15.492 6.822 -13.223 1.00 0.00 H new ATOM 0 HG LEU A 1 -14.737 4.786 -14.396 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.979 3.847 -16.326 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -16.844 3.613 -14.789 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -17.370 4.881 -15.922 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -14.552 5.833 -16.701 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -15.847 6.973 -16.264 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -14.285 7.032 -15.414 1.00 0.00 H new ATOM 22 N VAL A 2 -15.343 5.842 -10.589 1.00 0.00 N ATOM 23 CA VAL A 2 -15.071 6.504 -9.313 1.00 0.00 C ATOM 24 C VAL A 2 -13.578 6.721 -9.157 1.00 0.00 C ATOM 25 O VAL A 2 -13.011 6.369 -8.134 1.00 0.00 O ATOM 26 CB VAL A 2 -15.767 5.697 -8.171 1.00 0.00 C ATOM 27 CG1 VAL A 2 -15.235 4.240 -8.069 1.00 0.00 C ATOM 28 CG2 VAL A 2 -15.711 6.416 -6.794 1.00 0.00 C ATOM 0 H VAL A 2 -14.561 5.310 -10.971 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.499 7.505 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 2 -16.819 5.644 -8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.750 3.720 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -15.417 3.719 -9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.164 4.257 -7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -16.212 5.804 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.671 6.567 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.211 7.382 -6.867 1.00 0.00 H new ATOM 38 N GLN A 3 -12.909 7.311 -10.178 1.00 0.00 N ATOM 39 CA GLN A 3 -11.465 7.528 -10.078 1.00 0.00 C ATOM 40 C GLN A 3 -10.948 8.428 -11.181 1.00 0.00 C ATOM 41 O GLN A 3 -11.568 8.479 -12.231 1.00 0.00 O ATOM 42 CB GLN A 3 -10.677 6.189 -10.146 1.00 0.00 C ATOM 43 CG GLN A 3 -11.114 5.330 -11.363 1.00 0.00 C ATOM 44 CD GLN A 3 -10.228 4.114 -11.491 1.00 0.00 C ATOM 45 OE1 GLN A 3 -10.615 3.046 -11.043 1.00 0.00 O ATOM 46 NE2 GLN A 3 -9.027 4.254 -12.093 1.00 0.00 N ATOM 0 H GLN A 3 -13.337 7.631 -11.047 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.306 8.006 -9.111 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.609 6.398 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.836 5.626 -9.226 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.153 5.021 -11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.061 5.925 -12.275 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.741 5.164 -12.454 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.407 3.450 -12.186 1.00 0.00 H new ATOM 55 N ARG A 4 -9.804 9.118 -10.948 1.00 0.00 N ATOM 56 CA ARG A 4 -9.131 9.896 -11.991 1.00 0.00 C ATOM 57 C ARG A 4 -7.796 9.225 -12.232 1.00 0.00 C ATOM 58 O ARG A 4 -7.421 8.377 -11.438 1.00 0.00 O ATOM 59 CB ARG A 4 -8.886 11.363 -11.528 1.00 0.00 C ATOM 60 CG ARG A 4 -10.083 12.323 -11.776 1.00 0.00 C ATOM 61 CD ARG A 4 -11.396 11.899 -11.063 1.00 0.00 C ATOM 62 NE ARG A 4 -12.454 12.896 -11.250 1.00 0.00 N ATOM 63 CZ ARG A 4 -13.682 12.748 -10.797 1.00 0.00 C ATOM 64 NH1 ARG A 4 -14.068 11.692 -10.119 1.00 0.00 N ATOM 65 NH2 ARG A 4 -14.561 13.697 -11.033 1.00 0.00 N ATOM 0 H ARG A 4 -9.336 9.145 -10.042 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.745 9.931 -12.891 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.652 11.361 -10.463 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.010 11.753 -12.046 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.808 13.323 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -10.269 12.385 -12.848 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.728 10.937 -11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.206 11.764 -9.998 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.227 13.751 -11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -13.405 10.942 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.030 11.622 -9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.286 14.527 -11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.517 13.603 -10.691 1.00 0.00 H new ATOM 79 N GLY A 5 -7.053 9.585 -13.305 1.00 0.00 N ATOM 80 CA GLY A 5 -5.729 8.998 -13.504 1.00 0.00 C ATOM 81 C GLY A 5 -4.815 9.320 -12.343 1.00 0.00 C ATOM 82 O GLY A 5 -4.015 8.475 -11.972 1.00 0.00 O ATOM 0 H GLY A 5 -7.343 10.255 -14.017 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.819 7.917 -13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.295 9.376 -14.429 1.00 0.00 H new ATOM 86 N ARG A 6 -4.918 10.534 -11.753 1.00 0.00 N ATOM 87 CA ARG A 6 -4.070 10.867 -10.608 1.00 0.00 C ATOM 88 C ARG A 6 -4.325 9.910 -9.464 1.00 0.00 C ATOM 89 O ARG A 6 -3.387 9.682 -8.719 1.00 0.00 O ATOM 90 CB ARG A 6 -4.251 12.333 -10.111 1.00 0.00 C ATOM 91 CG ARG A 6 -3.401 13.363 -10.912 1.00 0.00 C ATOM 92 CD ARG A 6 -3.721 13.408 -12.431 1.00 0.00 C ATOM 93 NE ARG A 6 -2.835 14.367 -13.101 1.00 0.00 N ATOM 94 CZ ARG A 6 -3.022 15.672 -13.122 1.00 0.00 C ATOM 95 NH1 ARG A 6 -4.029 16.271 -12.527 1.00 0.00 N ATOM 96 NH2 ARG A 6 -2.154 16.419 -13.769 1.00 0.00 N ATOM 0 H ARG A 6 -5.560 11.270 -12.046 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.042 10.771 -10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.304 12.607 -10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.979 12.389 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.559 14.355 -10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.345 13.126 -10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.595 12.417 -12.867 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.762 13.693 -12.584 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.016 13.998 -13.585 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.718 15.721 -12.014 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.121 17.286 -12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.359 15.986 -14.239 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.276 17.431 -13.800 1.00 0.00 H new ATOM 110 N PHE A 7 -5.545 9.346 -9.295 1.00 0.00 N ATOM 111 CA PHE A 7 -5.767 8.342 -8.249 1.00 0.00 C ATOM 112 C PHE A 7 -5.928 6.935 -8.788 1.00 0.00 C ATOM 113 O PHE A 7 -6.086 6.033 -7.980 1.00 0.00 O ATOM 114 CB PHE A 7 -6.944 8.794 -7.352 1.00 0.00 C ATOM 115 CG PHE A 7 -6.507 10.113 -6.697 1.00 0.00 C ATOM 116 CD1 PHE A 7 -5.812 10.094 -5.483 1.00 0.00 C ATOM 117 CD2 PHE A 7 -6.776 11.337 -7.318 1.00 0.00 C ATOM 118 CE1 PHE A 7 -5.353 11.285 -4.914 1.00 0.00 C ATOM 119 CE2 PHE A 7 -6.307 12.529 -6.757 1.00 0.00 C ATOM 120 CZ PHE A 7 -5.593 12.504 -5.556 1.00 0.00 C ATOM 0 H PHE A 7 -6.366 9.567 -9.858 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.869 8.282 -7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.850 8.934 -7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.169 8.041 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.629 9.154 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.348 11.362 -8.234 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.813 11.264 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.497 13.470 -7.252 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.227 13.424 -5.125 1.00 0.00 H new ATOM 130 N GLY A 8 -5.878 6.700 -10.122 1.00 0.00 N ATOM 131 CA GLY A 8 -5.910 5.339 -10.650 1.00 0.00 C ATOM 132 C GLY A 8 -4.529 4.783 -10.913 1.00 0.00 C ATOM 133 O GLY A 8 -4.428 3.576 -11.052 1.00 0.00 O ATOM 0 H GLY A 8 -5.816 7.430 -10.831 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.429 4.692 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.485 5.326 -11.576 1.00 0.00 H new ATOM 137 N ARG A 9 -3.459 5.609 -11.020 1.00 0.00 N ATOM 138 CA ARG A 9 -2.159 5.078 -11.432 1.00 0.00 C ATOM 139 C ARG A 9 -1.052 6.013 -10.998 1.00 0.00 C ATOM 140 O ARG A 9 -0.327 6.534 -11.831 1.00 0.00 O ATOM 141 CB ARG A 9 -2.177 4.821 -12.966 1.00 0.00 C ATOM 142 CG ARG A 9 -2.701 6.043 -13.774 1.00 0.00 C ATOM 143 CD ARG A 9 -2.640 5.799 -15.309 1.00 0.00 C ATOM 144 NE ARG A 9 -1.271 5.713 -15.825 1.00 0.00 N ATOM 145 CZ ARG A 9 -0.983 5.423 -17.077 1.00 0.00 C ATOM 146 NH1 ARG A 9 -1.903 5.209 -17.990 1.00 0.00 N ATOM 147 NH2 ARG A 9 0.280 5.345 -17.435 1.00 0.00 N ATOM 0 H ARG A 9 -3.477 6.611 -10.831 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.962 4.124 -10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.169 4.575 -13.301 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.804 3.955 -13.178 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.729 6.256 -13.482 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.109 6.923 -13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.169 4.876 -15.545 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.164 6.607 -15.820 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.500 5.887 -15.180 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.891 5.264 -17.742 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.630 4.987 -18.947 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.016 5.508 -16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.524 5.122 -18.400 1.00 0.00 H new ATOM 161 N PHE A 10 -0.925 6.227 -9.668 1.00 0.00 N ATOM 162 CA PHE A 10 0.072 7.160 -9.143 1.00 0.00 C ATOM 163 C PHE A 10 0.723 6.509 -7.947 1.00 0.00 C ATOM 164 O PHE A 10 0.649 7.034 -6.849 1.00 0.00 O ATOM 165 CB PHE A 10 -0.678 8.467 -8.787 1.00 0.00 C ATOM 166 CG PHE A 10 0.266 9.536 -8.218 1.00 0.00 C ATOM 167 CD1 PHE A 10 1.178 10.176 -9.064 1.00 0.00 C ATOM 168 CD2 PHE A 10 0.221 9.887 -6.864 1.00 0.00 C ATOM 169 CE1 PHE A 10 2.050 11.144 -8.560 1.00 0.00 C ATOM 170 CE2 PHE A 10 1.095 10.854 -6.357 1.00 0.00 C ATOM 171 CZ PHE A 10 2.010 11.483 -7.204 1.00 0.00 C ATOM 0 H PHE A 10 -1.495 5.770 -8.957 1.00 0.00 H new ATOM 0 HA PHE A 10 0.861 7.402 -9.855 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.171 8.856 -9.678 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.460 8.250 -8.059 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.208 9.920 -10.113 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.492 9.409 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.755 11.631 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.062 11.115 -5.309 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.685 12.230 -6.813 1.00 0.00 H new ATOM 181 N LEU A 11 1.359 5.338 -8.171 1.00 0.00 N ATOM 182 CA LEU A 11 1.899 4.556 -7.060 1.00 0.00 C ATOM 183 C LEU A 11 0.730 4.029 -6.257 1.00 0.00 C ATOM 184 O LEU A 11 0.717 4.171 -5.046 1.00 0.00 O ATOM 185 CB LEU A 11 2.960 5.328 -6.220 1.00 0.00 C ATOM 186 CG LEU A 11 3.939 6.180 -7.086 1.00 0.00 C ATOM 187 CD1 LEU A 11 4.953 6.920 -6.169 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.702 5.332 -8.138 1.00 0.00 C ATOM 0 H LEU A 11 1.504 4.928 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 11 2.470 3.711 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.448 5.982 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.536 4.614 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 11 3.334 6.903 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.633 7.512 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.414 7.577 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.524 6.190 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.368 5.977 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.287 4.564 -7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.987 4.858 -8.811 1.00 0.00 H new ATOM 200 N ARG A 12 -0.267 3.421 -6.950 1.00 0.00 N ATOM 201 CA ARG A 12 -1.489 2.954 -6.290 1.00 0.00 C ATOM 202 C ARG A 12 -1.926 1.626 -6.877 1.00 0.00 C ATOM 203 O ARG A 12 -1.993 0.663 -6.129 1.00 0.00 O ATOM 204 CB ARG A 12 -2.632 3.996 -6.436 1.00 0.00 C ATOM 205 CG ARG A 12 -2.275 5.347 -5.759 1.00 0.00 C ATOM 206 CD ARG A 12 -3.328 6.439 -6.082 1.00 0.00 C ATOM 207 NE ARG A 12 -4.649 6.072 -5.567 1.00 0.00 N ATOM 208 CZ ARG A 12 -5.036 6.244 -4.320 1.00 0.00 C ATOM 209 NH1 ARG A 12 -4.262 6.740 -3.380 1.00 0.00 N ATOM 210 NH2 ARG A 12 -6.263 5.902 -3.992 1.00 0.00 N ATOM 0 H ARG A 12 -0.239 3.249 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.273 2.825 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.838 4.163 -7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.545 3.598 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.211 5.209 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.292 5.676 -6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.016 7.388 -5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.384 6.586 -7.161 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.314 5.655 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.305 7.015 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.619 6.850 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.890 5.514 -4.697 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.588 6.025 -3.033 1.00 0.00 H new ATOM 224 N LYS A 13 -2.228 1.549 -8.198 1.00 0.00 N ATOM 225 CA LYS A 13 -2.672 0.295 -8.806 1.00 0.00 C ATOM 226 C LYS A 13 -1.655 -0.122 -9.846 1.00 0.00 C ATOM 227 O LYS A 13 -2.050 -0.593 -10.901 1.00 0.00 O ATOM 228 CB LYS A 13 -4.082 0.504 -9.426 1.00 0.00 C ATOM 229 CG LYS A 13 -5.068 1.144 -8.409 1.00 0.00 C ATOM 230 CD LYS A 13 -6.470 1.373 -9.037 1.00 0.00 C ATOM 231 CE LYS A 13 -7.431 2.072 -8.036 1.00 0.00 C ATOM 232 NZ LYS A 13 -8.752 2.342 -8.649 1.00 0.00 N ATOM 0 H LYS A 13 -2.169 2.336 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.748 -0.499 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.002 1.142 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.477 -0.454 -9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.161 0.498 -7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.665 2.095 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.373 1.982 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.894 0.417 -9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.559 1.444 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.987 3.009 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.368 2.809 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.631 2.961 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.185 1.445 -8.949 1.00 0.00 H new ATOM 246 N ILE A 14 -0.343 0.047 -9.554 1.00 0.00 N ATOM 247 CA ILE A 14 0.698 -0.286 -10.531 1.00 0.00 C ATOM 248 C ILE A 14 2.077 -0.160 -9.912 1.00 0.00 C ATOM 249 O ILE A 14 2.827 -1.118 -10.015 1.00 0.00 O ATOM 250 CB ILE A 14 0.614 0.531 -11.862 1.00 0.00 C ATOM 251 CG1 ILE A 14 1.802 0.171 -12.806 1.00 0.00 C ATOM 252 CG2 ILE A 14 0.519 2.064 -11.619 1.00 0.00 C ATOM 253 CD1 ILE A 14 1.678 0.783 -14.227 1.00 0.00 C ATOM 0 H ILE A 14 0.006 0.405 -8.665 1.00 0.00 H new ATOM 0 HA ILE A 14 0.517 -1.324 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.314 0.245 -12.357 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.732 0.514 -12.352 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.870 -0.913 -12.892 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.463 2.581 -12.577 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.374 2.285 -11.035 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.401 2.402 -11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.540 0.489 -14.826 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.766 0.420 -14.701 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.641 1.870 -14.153 1.00 0.00 H new ATOM 265 N ARG A 15 2.435 0.984 -9.275 1.00 0.00 N ATOM 266 CA ARG A 15 3.760 1.120 -8.668 1.00 0.00 C ATOM 267 C ARG A 15 4.830 0.863 -9.709 1.00 0.00 C ATOM 268 O ARG A 15 5.240 1.817 -10.352 1.00 0.00 O ATOM 269 CB ARG A 15 3.782 0.279 -7.358 1.00 0.00 C ATOM 270 CG ARG A 15 5.143 0.244 -6.607 1.00 0.00 C ATOM 271 CD ARG A 15 5.527 1.580 -5.918 1.00 0.00 C ATOM 272 NE ARG A 15 6.796 1.460 -5.192 1.00 0.00 N ATOM 273 CZ ARG A 15 7.308 2.423 -4.452 1.00 0.00 C ATOM 274 NH1 ARG A 15 6.716 3.583 -4.286 1.00 0.00 N ATOM 275 NH2 ARG A 15 8.459 2.217 -3.854 1.00 0.00 N ATOM 0 H ARG A 15 1.832 1.801 -9.176 1.00 0.00 H new ATOM 0 HA ARG A 15 3.993 2.133 -8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.024 0.673 -6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.494 -0.744 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.109 -0.543 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.928 -0.025 -7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.607 2.368 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.737 1.876 -5.228 1.00 0.00 H new ATOM 0 HE ARG A 15 7.311 0.582 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.821 3.769 -4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.151 4.299 -3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.940 1.324 -3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.872 2.950 -3.277 1.00 0.00 H new ATOM 289 N ARG A 16 5.294 -0.392 -9.911 1.00 0.00 N ATOM 290 CA ARG A 16 6.295 -0.669 -10.940 1.00 0.00 C ATOM 291 C ARG A 16 7.438 0.305 -10.787 1.00 0.00 C ATOM 292 O ARG A 16 7.763 1.031 -11.713 1.00 0.00 O ATOM 293 CB ARG A 16 5.637 -0.679 -12.346 1.00 0.00 C ATOM 294 CG ARG A 16 6.541 -1.373 -13.405 1.00 0.00 C ATOM 295 CD ARG A 16 5.883 -1.404 -14.811 1.00 0.00 C ATOM 296 NE ARG A 16 6.582 -2.373 -15.664 1.00 0.00 N ATOM 297 CZ ARG A 16 7.727 -2.145 -16.275 1.00 0.00 C ATOM 298 NH1 ARG A 16 8.378 -1.007 -16.195 1.00 0.00 N ATOM 299 NH2 ARG A 16 8.251 -3.108 -17.002 1.00 0.00 N ATOM 0 H ARG A 16 4.991 -1.209 -9.380 1.00 0.00 H new ATOM 0 HA ARG A 16 6.718 -1.666 -10.819 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.678 -1.194 -12.294 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.433 0.345 -12.658 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.495 -0.849 -13.464 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.756 -2.392 -13.084 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.831 -1.674 -14.725 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.922 -0.413 -15.263 1.00 0.00 H new ATOM 0 HE ARG A 16 6.150 -3.288 -15.793 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.000 -0.241 -15.637 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.261 -0.889 -16.691 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.772 -4.005 -17.082 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.136 -2.958 -17.486 1.00 0.00 H new ATOM 313 N PHE A 17 8.053 0.316 -9.583 1.00 0.00 N ATOM 314 CA PHE A 17 9.197 1.193 -9.342 1.00 0.00 C ATOM 315 C PHE A 17 10.357 0.584 -10.096 1.00 0.00 C ATOM 316 O PHE A 17 10.209 -0.540 -10.547 1.00 0.00 O ATOM 317 CB PHE A 17 9.405 1.321 -7.803 1.00 0.00 C ATOM 318 CG PHE A 17 10.493 2.307 -7.344 1.00 0.00 C ATOM 319 CD1 PHE A 17 10.543 3.615 -7.841 1.00 0.00 C ATOM 320 CD2 PHE A 17 11.445 1.908 -6.398 1.00 0.00 C ATOM 321 CE1 PHE A 17 11.593 4.467 -7.490 1.00 0.00 C ATOM 322 CE2 PHE A 17 12.497 2.756 -6.044 1.00 0.00 C ATOM 323 CZ PHE A 17 12.579 4.035 -6.599 1.00 0.00 C ATOM 0 H PHE A 17 7.778 -0.261 -8.788 1.00 0.00 H new ATOM 0 HA PHE A 17 9.066 2.214 -9.701 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.459 1.621 -7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.647 0.335 -7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.764 3.968 -8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.365 0.934 -5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.643 5.462 -7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.247 2.423 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 17 13.400 4.687 -6.341 1.00 0.00 H new ATOM 333 N ARG A 18 11.503 1.276 -10.282 1.00 0.00 N ATOM 334 CA ARG A 18 12.585 0.688 -11.075 1.00 0.00 C ATOM 335 C ARG A 18 12.889 -0.746 -10.670 1.00 0.00 C ATOM 336 O ARG A 18 12.784 -1.597 -11.542 1.00 0.00 O ATOM 337 CB ARG A 18 13.844 1.600 -11.140 1.00 0.00 C ATOM 338 CG ARG A 18 14.990 0.939 -11.953 1.00 0.00 C ATOM 339 CD ARG A 18 16.189 1.907 -12.150 1.00 0.00 C ATOM 340 NE ARG A 18 17.267 1.287 -12.926 1.00 0.00 N ATOM 341 CZ ARG A 18 18.376 1.915 -13.263 1.00 0.00 C ATOM 342 NH1 ARG A 18 18.619 3.160 -12.922 1.00 0.00 N ATOM 343 NH2 ARG A 18 19.279 1.273 -13.969 1.00 0.00 N ATOM 0 H ARG A 18 11.692 2.206 -9.907 1.00 0.00 H new ATOM 0 HA ARG A 18 12.223 0.628 -12.101 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.579 2.555 -11.595 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.191 1.814 -10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.329 0.040 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.612 0.626 -12.926 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.848 2.809 -12.658 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.572 2.214 -11.177 1.00 0.00 H new ATOM 0 HE ARG A 18 17.153 0.317 -13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.935 3.681 -12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.492 3.605 -13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.116 0.305 -14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.143 1.742 -14.239 1.00 0.00 H new ATOM 357 N PRO A 19 13.246 -1.117 -9.411 1.00 0.00 N ATOM 358 CA PRO A 19 13.460 -2.526 -9.092 1.00 0.00 C ATOM 359 C PRO A 19 12.208 -3.384 -9.100 1.00 0.00 C ATOM 360 O PRO A 19 12.381 -4.583 -8.955 1.00 0.00 O ATOM 361 CB PRO A 19 14.024 -2.400 -7.654 1.00 0.00 C ATOM 362 CG PRO A 19 13.369 -1.104 -7.128 1.00 0.00 C ATOM 363 CD PRO A 19 13.465 -0.156 -8.342 1.00 0.00 C ATOM 0 HA PRO A 19 14.092 -3.027 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.760 -3.262 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 19 15.112 -2.330 -7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.335 -1.268 -6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.897 -0.706 -6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.709 0.629 -8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.434 0.337 -8.413 1.00 0.00 H new ATOM 371 N LYS A 20 10.981 -2.830 -9.260 1.00 0.00 N ATOM 372 CA LYS A 20 9.765 -3.646 -9.375 1.00 0.00 C ATOM 373 C LYS A 20 9.431 -4.247 -8.027 1.00 0.00 C ATOM 374 O LYS A 20 10.024 -5.262 -7.698 1.00 0.00 O ATOM 375 CB LYS A 20 9.844 -4.732 -10.488 1.00 0.00 C ATOM 376 CG LYS A 20 10.064 -4.093 -11.887 1.00 0.00 C ATOM 377 CD LYS A 20 10.079 -5.173 -13.003 1.00 0.00 C ATOM 378 CE LYS A 20 10.285 -4.542 -14.407 1.00 0.00 C ATOM 379 NZ LYS A 20 10.304 -5.575 -15.468 1.00 0.00 N ATOM 0 H LYS A 20 10.816 -1.825 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 20 8.957 -2.984 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.659 -5.422 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.924 -5.317 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.273 -3.370 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.006 -3.545 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.876 -5.890 -12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.140 -5.727 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.486 -3.828 -14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.222 -3.985 -14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.443 -5.120 -16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.082 -6.242 -15.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.400 -6.089 -15.468 1.00 0.00 H new ATOM 393 N VAL A 21 8.500 -3.642 -7.242 1.00 0.00 N ATOM 394 CA VAL A 21 8.214 -4.123 -5.889 1.00 0.00 C ATOM 395 C VAL A 21 6.789 -4.635 -5.800 1.00 0.00 C ATOM 396 O VAL A 21 6.609 -5.842 -5.749 1.00 0.00 O ATOM 397 CB VAL A 21 8.548 -2.998 -4.862 1.00 0.00 C ATOM 398 CG1 VAL A 21 8.215 -3.441 -3.412 1.00 0.00 C ATOM 399 CG2 VAL A 21 10.043 -2.592 -4.981 1.00 0.00 C ATOM 0 H VAL A 21 7.949 -2.833 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 21 8.848 -4.975 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 21 7.928 -2.132 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.459 -2.635 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.153 -3.674 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.799 -4.326 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.265 -1.806 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.673 -3.459 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.242 -2.226 -5.988 1.00 0.00 H new ATOM 409 N THR A 22 5.752 -3.765 -5.769 1.00 0.00 N ATOM 410 CA THR A 22 4.380 -4.257 -5.638 1.00 0.00 C ATOM 411 C THR A 22 3.921 -4.820 -6.961 1.00 0.00 C ATOM 412 O THR A 22 3.176 -5.787 -6.946 1.00 0.00 O ATOM 413 CB THR A 22 3.418 -3.139 -5.151 1.00 0.00 C ATOM 414 OG1 THR A 22 3.955 -2.501 -3.980 1.00 0.00 O ATOM 415 CG2 THR A 22 1.982 -3.660 -4.880 1.00 0.00 C ATOM 0 H THR A 22 5.843 -2.751 -5.831 1.00 0.00 H new ATOM 0 HA THR A 22 4.364 -5.045 -4.885 1.00 0.00 H new ATOM 0 HB THR A 22 3.338 -2.409 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.343 -1.797 -3.681 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.354 -2.836 -4.542 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.568 -4.080 -5.797 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.014 -4.431 -4.110 1.00 0.00 H new ATOM 423 N ILE A 23 4.352 -4.261 -8.117 1.00 0.00 N ATOM 424 CA ILE A 23 3.991 -4.883 -9.392 1.00 0.00 C ATOM 425 C ILE A 23 4.305 -6.361 -9.342 1.00 0.00 C ATOM 426 O ILE A 23 3.569 -7.127 -9.940 1.00 0.00 O ATOM 427 CB ILE A 23 4.723 -4.261 -10.622 1.00 0.00 C ATOM 428 CG1 ILE A 23 4.159 -4.731 -11.998 1.00 0.00 C ATOM 429 CG2 ILE A 23 6.248 -4.559 -10.563 1.00 0.00 C ATOM 430 CD1 ILE A 23 2.672 -4.352 -12.235 1.00 0.00 C ATOM 0 H ILE A 23 4.924 -3.419 -8.185 1.00 0.00 H new ATOM 0 HA ILE A 23 2.924 -4.705 -9.526 1.00 0.00 H new ATOM 0 HB ILE A 23 4.542 -3.188 -10.554 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.765 -4.298 -12.794 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.263 -5.814 -12.071 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.739 -4.116 -11.430 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.667 -4.133 -9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.408 -5.637 -10.566 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.356 -4.714 -13.213 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.053 -4.807 -11.462 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.562 -3.268 -12.196 1.00 0.00 H new ATOM 442 N THR A 24 5.385 -6.784 -8.640 1.00 0.00 N ATOM 443 CA THR A 24 5.702 -8.207 -8.568 1.00 0.00 C ATOM 444 C THR A 24 4.634 -8.926 -7.776 1.00 0.00 C ATOM 445 O THR A 24 4.247 -10.014 -8.169 1.00 0.00 O ATOM 446 CB THR A 24 7.095 -8.418 -7.913 1.00 0.00 C ATOM 447 OG1 THR A 24 8.018 -7.542 -8.586 1.00 0.00 O ATOM 448 CG2 THR A 24 7.557 -9.896 -8.022 1.00 0.00 C ATOM 0 H THR A 24 6.025 -6.172 -8.135 1.00 0.00 H new ATOM 0 HA THR A 24 5.733 -8.616 -9.578 1.00 0.00 H new ATOM 0 HB THR A 24 7.048 -8.187 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.482 -6.986 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.535 -10.007 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.837 -10.540 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.623 -10.180 -9.072 1.00 0.00 H new ATOM 456 N ILE A 25 4.139 -8.332 -6.664 1.00 0.00 N ATOM 457 CA ILE A 25 3.062 -8.970 -5.904 1.00 0.00 C ATOM 458 C ILE A 25 1.886 -9.141 -6.842 1.00 0.00 C ATOM 459 O ILE A 25 1.332 -10.227 -6.908 1.00 0.00 O ATOM 460 CB ILE A 25 2.653 -8.169 -4.625 1.00 0.00 C ATOM 461 CG1 ILE A 25 3.832 -8.145 -3.600 1.00 0.00 C ATOM 462 CG2 ILE A 25 1.363 -8.767 -3.991 1.00 0.00 C ATOM 463 CD1 ILE A 25 3.592 -7.217 -2.377 1.00 0.00 C ATOM 0 H ILE A 25 4.462 -7.440 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 25 3.412 -9.934 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 25 2.434 -7.140 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.009 -9.160 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.739 -7.824 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.096 -8.195 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.547 -8.719 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.542 -9.806 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.457 -7.257 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.446 -6.193 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.705 -7.549 -1.837 1.00 0.00 H new ATOM 475 N GLN A 26 1.495 -8.081 -7.585 1.00 0.00 N ATOM 476 CA GLN A 26 0.390 -8.229 -8.531 1.00 0.00 C ATOM 477 C GLN A 26 0.744 -9.306 -9.534 1.00 0.00 C ATOM 478 O GLN A 26 -0.098 -10.132 -9.841 1.00 0.00 O ATOM 479 CB GLN A 26 0.083 -6.924 -9.317 1.00 0.00 C ATOM 480 CG GLN A 26 -0.472 -5.793 -8.409 1.00 0.00 C ATOM 481 CD GLN A 26 -0.799 -4.541 -9.190 1.00 0.00 C ATOM 482 OE1 GLN A 26 -0.485 -4.454 -10.366 1.00 0.00 O ATOM 483 NE2 GLN A 26 -1.441 -3.541 -8.546 1.00 0.00 N ATOM 0 H GLN A 26 1.915 -7.152 -7.546 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.495 -8.485 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.993 -6.577 -9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.640 -7.140 -10.104 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.369 -6.146 -7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.261 -5.557 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.690 -3.645 -7.562 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.677 -2.682 -9.044 1.00 0.00 H new ATOM 492 N GLY A 27 1.991 -9.307 -10.055 1.00 0.00 N ATOM 493 CA GLY A 27 2.382 -10.303 -11.045 1.00 0.00 C ATOM 494 C GLY A 27 2.296 -11.700 -10.485 1.00 0.00 C ATOM 495 O GLY A 27 2.000 -12.612 -11.240 1.00 0.00 O ATOM 0 H GLY A 27 2.721 -8.640 -9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.738 -10.220 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.401 -10.106 -11.379 1.00 0.00 H new ATOM 499 N SER A 28 2.559 -11.906 -9.175 1.00 0.00 N ATOM 500 CA SER A 28 2.444 -13.249 -8.616 1.00 0.00 C ATOM 501 C SER A 28 0.997 -13.679 -8.682 1.00 0.00 C ATOM 502 O SER A 28 0.723 -14.781 -9.130 1.00 0.00 O ATOM 503 CB SER A 28 2.940 -13.313 -7.146 1.00 0.00 C ATOM 504 OG SER A 28 2.786 -14.635 -6.602 1.00 0.00 O ATOM 0 H SER A 28 2.841 -11.181 -8.515 1.00 0.00 H new ATOM 0 HA SER A 28 3.074 -13.919 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.988 -13.018 -7.100 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.381 -12.600 -6.540 1.00 0.00 H new ATOM 0 HG SER A 28 3.107 -14.647 -5.676 1.00 0.00 H new ATOM 510 N ALA A 29 0.053 -12.817 -8.238 1.00 0.00 N ATOM 511 CA ALA A 29 -1.355 -13.203 -8.271 1.00 0.00 C ATOM 512 C ALA A 29 -1.803 -13.402 -9.703 1.00 0.00 C ATOM 513 O ALA A 29 -2.397 -14.426 -10.004 1.00 0.00 O ATOM 514 CB ALA A 29 -2.255 -12.133 -7.598 1.00 0.00 C ATOM 0 H ALA A 29 0.241 -11.885 -7.868 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.455 -14.136 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.296 -12.454 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.956 -12.009 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.146 -11.184 -8.122 1.00 0.00 H new ATOM 520 N ARG A 30 -1.530 -12.426 -10.598 1.00 0.00 N ATOM 521 CA ARG A 30 -1.998 -12.536 -11.977 1.00 0.00 C ATOM 522 C ARG A 30 -1.389 -13.760 -12.621 1.00 0.00 C ATOM 523 O ARG A 30 -2.124 -14.542 -13.205 1.00 0.00 O ATOM 524 CB ARG A 30 -1.653 -11.255 -12.792 1.00 0.00 C ATOM 525 CG ARG A 30 -2.068 -11.294 -14.291 1.00 0.00 C ATOM 526 CD ARG A 30 -3.578 -11.057 -14.581 1.00 0.00 C ATOM 527 NE ARG A 30 -4.441 -12.176 -14.179 1.00 0.00 N ATOM 528 CZ ARG A 30 -5.245 -12.191 -13.131 1.00 0.00 C ATOM 529 NH1 ARG A 30 -5.319 -11.230 -12.237 1.00 0.00 N ATOM 530 NH2 ARG A 30 -6.020 -13.240 -12.960 1.00 0.00 N ATOM 0 H ARG A 30 -1.002 -11.579 -10.388 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.083 -12.637 -11.971 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.138 -10.401 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.578 -11.084 -12.733 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.492 -10.541 -14.828 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.786 -12.264 -14.702 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.901 -10.156 -14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.709 -10.874 -15.647 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.417 -13.014 -14.760 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.730 -10.402 -12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.966 -11.312 -11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.989 -14.011 -13.627 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.652 -13.282 -12.161 1.00 0.00 H new ATOM 544 N PHE A 31 -0.051 -13.927 -12.517 1.00 0.00 N ATOM 545 CA PHE A 31 0.630 -15.066 -13.128 1.00 0.00 C ATOM 546 C PHE A 31 1.123 -15.966 -12.021 1.00 0.00 C ATOM 547 O PHE A 31 2.122 -15.673 -11.384 1.00 0.00 O ATOM 548 CB PHE A 31 1.799 -14.555 -14.009 1.00 0.00 C ATOM 549 CG PHE A 31 1.276 -13.488 -14.982 1.00 0.00 C ATOM 550 CD1 PHE A 31 0.523 -13.871 -16.099 1.00 0.00 C ATOM 551 CD2 PHE A 31 1.540 -12.131 -14.767 1.00 0.00 C ATOM 552 CE1 PHE A 31 0.040 -12.909 -16.989 1.00 0.00 C ATOM 553 CE2 PHE A 31 1.061 -11.167 -15.659 1.00 0.00 C ATOM 554 CZ PHE A 31 0.309 -11.554 -16.771 1.00 0.00 C ATOM 555 OXT PHE A 31 0.528 -16.998 -11.751 1.00 0.00 O ATOM 0 H PHE A 31 0.565 -13.286 -12.017 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.046 -15.631 -13.770 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.586 -14.136 -13.381 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.240 -15.383 -14.563 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.315 -14.916 -16.273 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.117 -11.826 -13.907 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.542 -13.212 -17.847 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.273 -10.122 -15.488 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.063 -10.810 -17.460 1.00 0.00 H new TER 565 PHE A 31