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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00958) 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 180:sc=-0.00245 USER MOD Single : A 26 GLN : amide:sc= -0.279 K(o=-0.28,f=-5!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -10.174 11.676 -4.799 1.00 0.00 N ATOM 2 CA LEU A 1 -10.023 10.214 -4.727 1.00 0.00 C ATOM 3 C LEU A 1 -9.056 9.779 -5.815 1.00 0.00 C ATOM 4 O LEU A 1 -7.934 9.417 -5.494 1.00 0.00 O ATOM 5 CB LEU A 1 -11.372 9.432 -4.836 1.00 0.00 C ATOM 6 CG LEU A 1 -12.027 9.027 -3.478 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.332 10.242 -2.557 1.00 0.00 C ATOM 8 CD2 LEU A 1 -13.340 8.234 -3.743 1.00 0.00 C ATOM 0 H1 LEU A 1 -10.834 11.994 -4.060 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.249 12.128 -4.654 1.00 0.00 H new ATOM 0 H3 LEU A 1 -10.547 11.941 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 1 -9.633 9.969 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.082 10.043 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.201 8.528 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 1 -11.301 8.405 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.786 9.891 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -11.405 10.769 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.019 10.919 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -13.794 7.953 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.034 8.857 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -13.113 7.335 -4.316 1.00 0.00 H new ATOM 22 N VAL A 2 -9.462 9.816 -7.107 1.00 0.00 N ATOM 23 CA VAL A 2 -8.514 9.501 -8.175 1.00 0.00 C ATOM 24 C VAL A 2 -7.488 10.608 -8.266 1.00 0.00 C ATOM 25 O VAL A 2 -6.345 10.295 -8.560 1.00 0.00 O ATOM 26 CB VAL A 2 -9.153 9.252 -9.577 1.00 0.00 C ATOM 27 CG1 VAL A 2 -10.197 8.102 -9.515 1.00 0.00 C ATOM 28 CG2 VAL A 2 -9.772 10.530 -10.211 1.00 0.00 C ATOM 0 H VAL A 2 -10.405 10.052 -7.416 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.057 8.551 -7.900 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.336 8.953 -10.234 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.628 7.948 -10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.709 7.185 -9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.987 8.366 -8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.198 10.284 -11.184 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.555 10.917 -9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.997 11.286 -10.335 1.00 0.00 H new ATOM 38 N GLN A 3 -7.882 11.887 -8.031 1.00 0.00 N ATOM 39 CA GLN A 3 -6.951 13.016 -8.126 1.00 0.00 C ATOM 40 C GLN A 3 -6.638 13.286 -9.583 1.00 0.00 C ATOM 41 O GLN A 3 -7.027 14.330 -10.084 1.00 0.00 O ATOM 42 CB GLN A 3 -5.695 12.875 -7.217 1.00 0.00 C ATOM 43 CG GLN A 3 -6.121 12.661 -5.740 1.00 0.00 C ATOM 44 CD GLN A 3 -4.926 12.383 -4.857 1.00 0.00 C ATOM 45 OE1 GLN A 3 -4.487 13.278 -4.152 1.00 0.00 O ATOM 46 NE2 GLN A 3 -4.380 11.146 -4.879 1.00 0.00 N ATOM 0 H GLN A 3 -8.834 12.149 -7.777 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.442 13.900 -7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.087 12.035 -7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.076 13.769 -7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.644 13.546 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.822 11.829 -5.679 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.776 10.425 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.573 10.934 -4.293 1.00 0.00 H new ATOM 55 N ARG A 4 -5.955 12.358 -10.291 1.00 0.00 N ATOM 56 CA ARG A 4 -5.679 12.549 -11.716 1.00 0.00 C ATOM 57 C ARG A 4 -5.564 11.188 -12.362 1.00 0.00 C ATOM 58 O ARG A 4 -5.661 10.203 -11.648 1.00 0.00 O ATOM 59 CB ARG A 4 -4.358 13.365 -11.886 1.00 0.00 C ATOM 60 CG ARG A 4 -4.559 14.812 -12.426 1.00 0.00 C ATOM 61 CD ARG A 4 -5.043 14.860 -13.903 1.00 0.00 C ATOM 62 NE ARG A 4 -5.056 16.243 -14.393 1.00 0.00 N ATOM 63 CZ ARG A 4 -3.999 16.876 -14.861 1.00 0.00 C ATOM 64 NH1 ARG A 4 -2.797 16.347 -14.911 1.00 0.00 N ATOM 65 NH2 ARG A 4 -4.151 18.105 -15.303 1.00 0.00 N ATOM 0 H ARG A 4 -5.594 11.488 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.483 13.107 -12.195 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.851 13.417 -10.922 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.697 12.826 -12.565 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.284 15.329 -11.797 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.619 15.357 -12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.387 14.253 -14.527 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.042 14.431 -13.979 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.942 16.748 -14.370 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.644 15.396 -14.576 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.017 16.888 -15.285 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.071 18.546 -15.278 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.349 18.618 -15.670 1.00 0.00 H new ATOM 79 N GLY A 5 -5.349 11.095 -13.692 1.00 0.00 N ATOM 80 CA GLY A 5 -5.035 9.797 -14.282 1.00 0.00 C ATOM 81 C GLY A 5 -3.647 9.396 -13.837 1.00 0.00 C ATOM 82 O GLY A 5 -3.461 8.263 -13.424 1.00 0.00 O ATOM 0 H GLY A 5 -5.387 11.876 -14.347 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.765 9.051 -13.968 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.084 9.853 -15.369 1.00 0.00 H new ATOM 86 N ARG A 6 -2.665 10.327 -13.924 1.00 0.00 N ATOM 87 CA ARG A 6 -1.296 10.009 -13.523 1.00 0.00 C ATOM 88 C ARG A 6 -1.273 9.329 -12.173 1.00 0.00 C ATOM 89 O ARG A 6 -0.558 8.350 -12.048 1.00 0.00 O ATOM 90 CB ARG A 6 -0.368 11.254 -13.416 1.00 0.00 C ATOM 91 CG ARG A 6 -0.008 11.871 -14.795 1.00 0.00 C ATOM 92 CD ARG A 6 0.994 13.055 -14.680 1.00 0.00 C ATOM 93 NE ARG A 6 0.365 14.227 -14.057 1.00 0.00 N ATOM 94 CZ ARG A 6 0.426 14.542 -12.776 1.00 0.00 C ATOM 95 NH1 ARG A 6 1.043 13.825 -11.864 1.00 0.00 N ATOM 96 NH2 ARG A 6 -0.171 15.644 -12.377 1.00 0.00 N ATOM 0 H ARG A 6 -2.802 11.280 -14.262 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.922 9.357 -14.313 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.857 12.011 -12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.550 10.971 -12.901 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.421 11.098 -15.433 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.919 12.218 -15.282 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.858 12.747 -14.091 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.362 13.321 -15.671 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.164 14.851 -14.666 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.517 12.961 -12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.048 14.132 -10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.664 16.230 -13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.141 15.913 -11.394 1.00 0.00 H new ATOM 110 N PHE A 7 -2.023 9.831 -11.166 1.00 0.00 N ATOM 111 CA PHE A 7 -2.046 9.181 -9.850 1.00 0.00 C ATOM 112 C PHE A 7 -3.061 8.056 -9.841 1.00 0.00 C ATOM 113 O PHE A 7 -2.761 7.002 -9.301 1.00 0.00 O ATOM 114 CB PHE A 7 -2.402 10.185 -8.714 1.00 0.00 C ATOM 115 CG PHE A 7 -1.204 11.028 -8.238 1.00 0.00 C ATOM 116 CD1 PHE A 7 -0.157 11.394 -9.094 1.00 0.00 C ATOM 117 CD2 PHE A 7 -1.149 11.435 -6.899 1.00 0.00 C ATOM 118 CE1 PHE A 7 0.972 12.052 -8.594 1.00 0.00 C ATOM 119 CE2 PHE A 7 -0.033 12.111 -6.400 1.00 0.00 C ATOM 120 CZ PHE A 7 1.037 12.409 -7.246 1.00 0.00 C ATOM 0 H PHE A 7 -2.605 10.665 -11.242 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.045 8.790 -9.667 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.189 10.853 -9.064 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.807 9.633 -7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.222 11.167 -10.148 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.981 11.223 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.796 12.284 -9.253 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.002 12.403 -5.361 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.910 12.913 -6.860 1.00 0.00 H new ATOM 130 N GLY A 8 -4.266 8.277 -10.414 1.00 0.00 N ATOM 131 CA GLY A 8 -5.338 7.286 -10.358 1.00 0.00 C ATOM 132 C GLY A 8 -4.836 5.873 -10.554 1.00 0.00 C ATOM 133 O GLY A 8 -4.368 5.575 -11.641 1.00 0.00 O ATOM 0 H GLY A 8 -4.509 9.131 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.844 7.357 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.079 7.514 -11.125 1.00 0.00 H new ATOM 137 N ARG A 9 -4.922 5.002 -9.520 1.00 0.00 N ATOM 138 CA ARG A 9 -4.476 3.617 -9.667 1.00 0.00 C ATOM 139 C ARG A 9 -3.086 3.557 -10.262 1.00 0.00 C ATOM 140 O ARG A 9 -2.864 2.853 -11.235 1.00 0.00 O ATOM 141 CB ARG A 9 -5.524 2.799 -10.472 1.00 0.00 C ATOM 142 CG ARG A 9 -5.345 1.272 -10.236 1.00 0.00 C ATOM 143 CD ARG A 9 -6.073 0.417 -11.310 1.00 0.00 C ATOM 144 NE ARG A 9 -5.808 -1.015 -11.139 1.00 0.00 N ATOM 145 CZ ARG A 9 -6.226 -1.940 -11.979 1.00 0.00 C ATOM 146 NH1 ARG A 9 -6.952 -1.664 -13.037 1.00 0.00 N ATOM 147 NH2 ARG A 9 -5.902 -3.193 -11.749 1.00 0.00 N ATOM 0 H ARG A 9 -5.290 5.237 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.402 3.154 -8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.529 3.100 -10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.424 3.020 -11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.283 1.029 -10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.727 1.012 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.146 0.597 -11.252 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.751 0.730 -12.303 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.270 -1.311 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.216 -0.699 -13.237 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.253 -2.414 -13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.338 -3.433 -10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.215 -3.926 -12.386 1.00 0.00 H new ATOM 161 N PHE A 10 -2.129 4.312 -9.678 1.00 0.00 N ATOM 162 CA PHE A 10 -0.752 4.281 -10.170 1.00 0.00 C ATOM 163 C PHE A 10 0.158 4.620 -9.009 1.00 0.00 C ATOM 164 O PHE A 10 0.910 5.578 -9.079 1.00 0.00 O ATOM 165 CB PHE A 10 -0.621 5.263 -11.355 1.00 0.00 C ATOM 166 CG PHE A 10 0.750 5.101 -12.029 1.00 0.00 C ATOM 167 CD1 PHE A 10 0.988 3.983 -12.836 1.00 0.00 C ATOM 168 CD2 PHE A 10 1.766 6.048 -11.852 1.00 0.00 C ATOM 169 CE1 PHE A 10 2.239 3.791 -13.431 1.00 0.00 C ATOM 170 CE2 PHE A 10 3.015 5.862 -12.451 1.00 0.00 C ATOM 171 CZ PHE A 10 3.255 4.729 -13.236 1.00 0.00 C ATOM 0 H PHE A 10 -2.288 4.933 -8.885 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.467 3.298 -10.545 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.414 5.078 -12.079 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.743 6.287 -11.003 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.200 3.263 -13.001 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.584 6.926 -11.250 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.419 2.918 -14.041 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.796 6.594 -12.308 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.224 4.580 -13.690 1.00 0.00 H new ATOM 181 N LEU A 11 0.028 3.812 -7.933 1.00 0.00 N ATOM 182 CA LEU A 11 0.650 4.066 -6.629 1.00 0.00 C ATOM 183 C LEU A 11 -0.242 3.392 -5.608 1.00 0.00 C ATOM 184 O LEU A 11 0.271 2.763 -4.694 1.00 0.00 O ATOM 185 CB LEU A 11 0.999 5.536 -6.243 1.00 0.00 C ATOM 186 CG LEU A 11 -0.195 6.540 -6.302 1.00 0.00 C ATOM 187 CD1 LEU A 11 -0.921 6.649 -4.930 1.00 0.00 C ATOM 188 CD2 LEU A 11 0.292 7.954 -6.730 1.00 0.00 C ATOM 0 H LEU A 11 -0.522 2.953 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 11 1.657 3.652 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.408 5.542 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.786 5.892 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.897 6.154 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.746 7.357 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.308 5.671 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.218 6.996 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.557 8.636 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.023 8.320 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.752 7.897 -7.717 1.00 0.00 H new ATOM 200 N ARG A 12 -1.585 3.474 -5.776 1.00 0.00 N ATOM 201 CA ARG A 12 -2.473 2.641 -4.972 1.00 0.00 C ATOM 202 C ARG A 12 -2.226 1.193 -5.345 1.00 0.00 C ATOM 203 O ARG A 12 -2.068 0.403 -4.426 1.00 0.00 O ATOM 204 CB ARG A 12 -3.980 2.970 -5.190 1.00 0.00 C ATOM 205 CG ARG A 12 -4.400 4.401 -4.742 1.00 0.00 C ATOM 206 CD ARG A 12 -4.741 4.546 -3.230 1.00 0.00 C ATOM 207 NE ARG A 12 -3.610 4.213 -2.353 1.00 0.00 N ATOM 208 CZ ARG A 12 -3.462 3.087 -1.680 1.00 0.00 C ATOM 209 NH1 ARG A 12 -4.289 2.066 -1.736 1.00 0.00 N ATOM 210 NH2 ARG A 12 -2.409 2.967 -0.901 1.00 0.00 N ATOM 0 H ARG A 12 -2.052 4.091 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.254 2.835 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.216 2.850 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.580 2.242 -4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.593 5.092 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.268 4.707 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.059 5.569 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.584 3.898 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.875 4.913 -2.256 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.116 2.111 -2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.104 1.229 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.737 3.731 -0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.265 2.110 -0.367 1.00 0.00 H new ATOM 224 N LYS A 13 -2.195 0.823 -6.655 1.00 0.00 N ATOM 225 CA LYS A 13 -2.060 -0.586 -7.042 1.00 0.00 C ATOM 226 C LYS A 13 -0.984 -0.827 -8.090 1.00 0.00 C ATOM 227 O LYS A 13 -0.035 -1.522 -7.759 1.00 0.00 O ATOM 228 CB LYS A 13 -3.430 -1.153 -7.508 1.00 0.00 C ATOM 229 CG LYS A 13 -4.566 -0.800 -6.507 1.00 0.00 C ATOM 230 CD LYS A 13 -5.944 -1.425 -6.872 1.00 0.00 C ATOM 231 CE LYS A 13 -6.042 -2.968 -6.690 1.00 0.00 C ATOM 232 NZ LYS A 13 -5.818 -3.413 -5.293 1.00 0.00 N ATOM 0 H LYS A 13 -2.261 1.475 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.733 -1.123 -6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.674 -0.753 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.360 -2.236 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.277 -1.137 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.671 0.284 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.712 -0.954 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.171 -1.183 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.027 -3.303 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.310 -3.450 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.947 -4.443 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.850 -3.167 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.499 -2.941 -4.665 1.00 0.00 H new ATOM 246 N ILE A 14 -1.077 -0.306 -9.342 1.00 0.00 N ATOM 247 CA ILE A 14 -0.074 -0.652 -10.364 1.00 0.00 C ATOM 248 C ILE A 14 1.294 -0.348 -9.797 1.00 0.00 C ATOM 249 O ILE A 14 2.149 -1.220 -9.793 1.00 0.00 O ATOM 250 CB ILE A 14 -0.283 0.028 -11.760 1.00 0.00 C ATOM 251 CG1 ILE A 14 -1.229 -0.803 -12.684 1.00 0.00 C ATOM 252 CG2 ILE A 14 1.067 0.239 -12.512 1.00 0.00 C ATOM 253 CD1 ILE A 14 -2.671 -0.942 -12.138 1.00 0.00 C ATOM 0 H ILE A 14 -1.810 0.331 -9.653 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.185 -1.714 -10.581 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.740 0.994 -11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.266 -0.333 -13.667 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.805 -1.798 -12.822 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.877 0.713 -13.475 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.720 0.877 -11.916 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.549 -0.725 -12.671 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.268 -1.531 -12.834 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.647 -1.440 -11.169 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.115 0.047 -12.027 1.00 0.00 H new ATOM 265 N ARG A 15 1.484 0.898 -9.313 1.00 0.00 N ATOM 266 CA ARG A 15 2.730 1.285 -8.657 1.00 0.00 C ATOM 267 C ARG A 15 3.878 1.212 -9.642 1.00 0.00 C ATOM 268 O ARG A 15 4.188 2.240 -10.222 1.00 0.00 O ATOM 269 CB ARG A 15 2.893 0.502 -7.324 1.00 0.00 C ATOM 270 CG ARG A 15 4.190 0.829 -6.528 1.00 0.00 C ATOM 271 CD ARG A 15 4.149 2.187 -5.769 1.00 0.00 C ATOM 272 NE ARG A 15 4.416 3.366 -6.597 1.00 0.00 N ATOM 273 CZ ARG A 15 4.404 4.598 -6.131 1.00 0.00 C ATOM 274 NH1 ARG A 15 4.173 4.882 -4.869 1.00 0.00 N ATOM 275 NH2 ARG A 15 4.634 5.591 -6.960 1.00 0.00 N ATOM 0 H ARG A 15 0.789 1.642 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 15 2.718 2.330 -8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.032 0.710 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.877 -0.566 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.373 0.030 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.034 0.837 -7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.167 2.299 -5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.879 2.156 -4.960 1.00 0.00 H new ATOM 0 HE ARG A 15 4.622 3.225 -7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.992 4.132 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.174 5.853 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.818 5.401 -7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.629 6.552 -6.618 1.00 0.00 H new ATOM 289 N ARG A 16 4.516 0.038 -9.867 1.00 0.00 N ATOM 290 CA ARG A 16 5.570 -0.058 -10.879 1.00 0.00 C ATOM 291 C ARG A 16 6.641 0.979 -10.620 1.00 0.00 C ATOM 292 O ARG A 16 6.765 1.922 -11.385 1.00 0.00 O ATOM 293 CB ARG A 16 4.912 0.035 -12.284 1.00 0.00 C ATOM 294 CG ARG A 16 5.908 -0.278 -13.435 1.00 0.00 C ATOM 295 CD ARG A 16 5.234 -0.102 -14.824 1.00 0.00 C ATOM 296 NE ARG A 16 6.167 -0.363 -15.923 1.00 0.00 N ATOM 297 CZ ARG A 16 5.848 -0.228 -17.194 1.00 0.00 C ATOM 298 NH1 ARG A 16 4.651 0.139 -17.594 1.00 0.00 N ATOM 299 NH2 ARG A 16 6.763 -0.472 -18.105 1.00 0.00 N ATOM 0 H ARG A 16 4.319 -0.830 -9.370 1.00 0.00 H new ATOM 0 HA ARG A 16 6.085 -1.017 -10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.074 -0.660 -12.335 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.504 1.036 -12.424 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.772 0.382 -13.361 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.276 -1.299 -13.333 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.383 -0.778 -14.902 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.844 0.912 -14.912 1.00 0.00 H new ATOM 0 HE ARG A 16 7.113 -0.665 -15.692 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.921 0.333 -16.908 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.452 0.230 -18.590 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.700 -0.760 -17.823 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.536 -0.373 -19.095 1.00 0.00 H new ATOM 313 N PHE A 17 7.425 0.801 -9.530 1.00 0.00 N ATOM 314 CA PHE A 17 8.518 1.724 -9.212 1.00 0.00 C ATOM 315 C PHE A 17 9.713 0.916 -8.756 1.00 0.00 C ATOM 316 O PHE A 17 9.519 -0.247 -8.441 1.00 0.00 O ATOM 317 CB PHE A 17 8.053 2.728 -8.120 1.00 0.00 C ATOM 318 CG PHE A 17 7.988 4.158 -8.674 1.00 0.00 C ATOM 319 CD1 PHE A 17 6.915 4.542 -9.485 1.00 0.00 C ATOM 320 CD2 PHE A 17 8.992 5.090 -8.384 1.00 0.00 C ATOM 321 CE1 PHE A 17 6.842 5.836 -10.005 1.00 0.00 C ATOM 322 CE2 PHE A 17 8.920 6.388 -8.897 1.00 0.00 C ATOM 323 CZ PHE A 17 7.846 6.762 -9.710 1.00 0.00 C ATOM 0 H PHE A 17 7.316 0.033 -8.868 1.00 0.00 H new ATOM 0 HA PHE A 17 8.803 2.303 -10.091 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.072 2.435 -7.746 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.740 2.693 -7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.135 3.830 -9.711 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.826 4.804 -7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.011 6.120 -10.634 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.695 7.103 -8.665 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.792 7.764 -10.109 1.00 0.00 H new ATOM 333 N ARG A 18 10.945 1.479 -8.721 1.00 0.00 N ATOM 334 CA ARG A 18 12.102 0.657 -8.363 1.00 0.00 C ATOM 335 C ARG A 18 12.123 0.384 -6.871 1.00 0.00 C ATOM 336 O ARG A 18 12.197 -0.791 -6.541 1.00 0.00 O ATOM 337 CB ARG A 18 13.492 1.143 -8.875 1.00 0.00 C ATOM 338 CG ARG A 18 13.510 1.398 -10.411 1.00 0.00 C ATOM 339 CD ARG A 18 14.871 1.993 -10.875 1.00 0.00 C ATOM 340 NE ARG A 18 15.089 3.359 -10.385 1.00 0.00 N ATOM 341 CZ ARG A 18 16.215 4.023 -10.545 1.00 0.00 C ATOM 342 NH1 ARG A 18 17.248 3.531 -11.191 1.00 0.00 N ATOM 343 NH2 ARG A 18 16.315 5.233 -10.040 1.00 0.00 N ATOM 0 H ARG A 18 11.149 2.457 -8.928 1.00 0.00 H new ATOM 0 HA ARG A 18 11.948 -0.271 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.766 2.061 -8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.248 0.398 -8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.322 0.463 -10.938 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.704 2.081 -10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.681 1.353 -10.525 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.911 1.992 -11.964 1.00 0.00 H new ATOM 0 HE ARG A 18 14.325 3.821 -9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.199 2.596 -11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.099 4.084 -11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.529 5.641 -9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.179 5.763 -10.153 1.00 0.00 H new ATOM 357 N PRO A 19 12.070 1.349 -5.913 1.00 0.00 N ATOM 358 CA PRO A 19 12.133 0.963 -4.508 1.00 0.00 C ATOM 359 C PRO A 19 10.968 0.105 -4.071 1.00 0.00 C ATOM 360 O PRO A 19 11.159 -0.764 -3.235 1.00 0.00 O ATOM 361 CB PRO A 19 12.060 2.348 -3.813 1.00 0.00 C ATOM 362 CG PRO A 19 12.555 3.334 -4.895 1.00 0.00 C ATOM 363 CD PRO A 19 11.927 2.774 -6.191 1.00 0.00 C ATOM 0 HA PRO A 19 13.012 0.361 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.044 2.582 -3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.689 2.382 -2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.224 4.353 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.643 3.358 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.888 3.076 -6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.463 3.085 -7.088 1.00 0.00 H new ATOM 371 N LYS A 20 9.754 0.361 -4.614 1.00 0.00 N ATOM 372 CA LYS A 20 8.557 -0.323 -4.131 1.00 0.00 C ATOM 373 C LYS A 20 8.378 -1.615 -4.896 1.00 0.00 C ATOM 374 O LYS A 20 8.193 -2.645 -4.268 1.00 0.00 O ATOM 375 CB LYS A 20 7.282 0.560 -4.267 1.00 0.00 C ATOM 376 CG LYS A 20 7.362 1.913 -3.485 1.00 0.00 C ATOM 377 CD LYS A 20 7.767 3.127 -4.371 1.00 0.00 C ATOM 378 CE LYS A 20 7.656 4.481 -3.621 1.00 0.00 C ATOM 379 NZ LYS A 20 8.016 5.610 -4.510 1.00 0.00 N ATOM 0 H LYS A 20 9.591 1.025 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 20 8.692 -0.531 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.109 0.771 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.421 -0.005 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.393 2.116 -3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.082 1.811 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.791 2.992 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.131 3.154 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.639 4.614 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.313 4.474 -2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.934 6.504 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.994 5.492 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.373 5.627 -5.327 1.00 0.00 H new ATOM 393 N VAL A 21 8.435 -1.568 -6.249 1.00 0.00 N ATOM 394 CA VAL A 21 8.303 -2.776 -7.066 1.00 0.00 C ATOM 395 C VAL A 21 7.206 -3.681 -6.547 1.00 0.00 C ATOM 396 O VAL A 21 7.390 -4.882 -6.432 1.00 0.00 O ATOM 397 CB VAL A 21 9.713 -3.404 -7.304 1.00 0.00 C ATOM 398 CG1 VAL A 21 10.399 -3.868 -5.987 1.00 0.00 C ATOM 399 CG2 VAL A 21 9.686 -4.557 -8.345 1.00 0.00 C ATOM 0 H VAL A 21 8.571 -0.710 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 21 7.944 -2.542 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 21 10.318 -2.598 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.375 -4.296 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.524 -3.014 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.779 -4.620 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.692 -4.957 -8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.023 -5.348 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.324 -4.176 -9.300 1.00 0.00 H new ATOM 409 N THR A 22 6.022 -3.103 -6.236 1.00 0.00 N ATOM 410 CA THR A 22 4.879 -3.929 -5.849 1.00 0.00 C ATOM 411 C THR A 22 4.350 -4.649 -7.070 1.00 0.00 C ATOM 412 O THR A 22 3.835 -5.745 -6.919 1.00 0.00 O ATOM 413 CB THR A 22 3.766 -3.059 -5.206 1.00 0.00 C ATOM 414 OG1 THR A 22 4.384 -2.277 -4.168 1.00 0.00 O ATOM 415 CG2 THR A 22 2.616 -3.924 -4.625 1.00 0.00 C ATOM 0 H THR A 22 5.846 -2.098 -6.247 1.00 0.00 H new ATOM 0 HA THR A 22 5.200 -4.661 -5.108 1.00 0.00 H new ATOM 0 HB THR A 22 3.315 -2.419 -5.965 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.709 -1.711 -3.739 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.859 -3.275 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.167 -4.516 -5.423 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.013 -4.590 -3.859 1.00 0.00 H new ATOM 423 N ILE A 23 4.468 -4.062 -8.286 1.00 0.00 N ATOM 424 CA ILE A 23 3.972 -4.726 -9.494 1.00 0.00 C ATOM 425 C ILE A 23 4.335 -6.197 -9.542 1.00 0.00 C ATOM 426 O ILE A 23 3.536 -6.972 -10.044 1.00 0.00 O ATOM 427 CB ILE A 23 4.467 -4.005 -10.788 1.00 0.00 C ATOM 428 CG1 ILE A 23 3.774 -4.506 -12.093 1.00 0.00 C ATOM 429 CG2 ILE A 23 6.013 -4.123 -10.935 1.00 0.00 C ATOM 430 CD1 ILE A 23 2.241 -4.255 -12.129 1.00 0.00 C ATOM 0 H ILE A 23 4.895 -3.149 -8.445 1.00 0.00 H new ATOM 0 HA ILE A 23 2.885 -4.659 -9.451 1.00 0.00 H new ATOM 0 HB ILE A 23 4.185 -2.959 -10.663 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.233 -4.012 -12.949 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.960 -5.574 -12.204 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.332 -3.613 -11.844 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.497 -3.664 -10.073 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.294 -5.175 -10.992 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.833 -4.631 -13.067 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.768 -4.772 -11.294 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.045 -3.186 -12.051 1.00 0.00 H new ATOM 442 N THR A 24 5.514 -6.622 -9.030 1.00 0.00 N ATOM 443 CA THR A 24 5.841 -8.048 -9.037 1.00 0.00 C ATOM 444 C THR A 24 4.888 -8.797 -8.131 1.00 0.00 C ATOM 445 O THR A 24 4.408 -9.850 -8.521 1.00 0.00 O ATOM 446 CB THR A 24 7.289 -8.293 -8.537 1.00 0.00 C ATOM 447 OG1 THR A 24 7.435 -7.592 -7.289 1.00 0.00 O ATOM 448 CG2 THR A 24 8.328 -7.810 -9.583 1.00 0.00 C ATOM 0 H THR A 24 6.225 -6.015 -8.623 1.00 0.00 H new ATOM 0 HA THR A 24 5.752 -8.405 -10.063 1.00 0.00 H new ATOM 0 HB THR A 24 7.470 -9.358 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.342 -7.727 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.335 -7.993 -9.207 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.184 -8.354 -10.517 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.196 -6.743 -9.761 1.00 0.00 H new ATOM 456 N ILE A 25 4.599 -8.265 -6.921 1.00 0.00 N ATOM 457 CA ILE A 25 3.641 -8.927 -6.036 1.00 0.00 C ATOM 458 C ILE A 25 2.337 -9.089 -6.788 1.00 0.00 C ATOM 459 O ILE A 25 1.749 -10.156 -6.724 1.00 0.00 O ATOM 460 CB ILE A 25 3.379 -8.170 -4.697 1.00 0.00 C ATOM 461 CG1 ILE A 25 4.673 -7.896 -3.862 1.00 0.00 C ATOM 462 CG2 ILE A 25 2.309 -8.918 -3.847 1.00 0.00 C ATOM 463 CD1 ILE A 25 5.536 -9.152 -3.563 1.00 0.00 C ATOM 0 H ILE A 25 5.006 -7.406 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 25 4.073 -9.887 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 25 2.996 -7.187 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.286 -7.171 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.387 -7.436 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.139 -8.376 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.376 -8.978 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.662 -9.924 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.410 -8.862 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.946 -9.873 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.859 -9.603 -4.501 1.00 0.00 H new ATOM 475 N GLN A 26 1.870 -8.050 -7.515 1.00 0.00 N ATOM 476 CA GLN A 26 0.636 -8.209 -8.283 1.00 0.00 C ATOM 477 C GLN A 26 0.845 -9.324 -9.285 1.00 0.00 C ATOM 478 O GLN A 26 -0.036 -10.154 -9.442 1.00 0.00 O ATOM 479 CB GLN A 26 0.224 -6.926 -9.054 1.00 0.00 C ATOM 480 CG GLN A 26 -0.080 -5.730 -8.112 1.00 0.00 C ATOM 481 CD GLN A 26 -0.421 -4.522 -8.948 1.00 0.00 C ATOM 482 OE1 GLN A 26 0.455 -3.701 -9.161 1.00 0.00 O ATOM 483 NE2 GLN A 26 -1.674 -4.398 -9.443 1.00 0.00 N ATOM 0 H GLN A 26 2.313 -7.134 -7.581 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.164 -8.430 -7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.023 -6.648 -9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.657 -7.139 -9.660 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.909 -5.975 -7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.783 -5.519 -7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.376 -5.110 -9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.917 -3.593 -10.020 1.00 0.00 H new ATOM 492 N GLY A 27 2.016 -9.357 -9.963 1.00 0.00 N ATOM 493 CA GLY A 27 2.289 -10.423 -10.922 1.00 0.00 C ATOM 494 C GLY A 27 2.078 -11.792 -10.321 1.00 0.00 C ATOM 495 O GLY A 27 1.604 -12.666 -11.030 1.00 0.00 O ATOM 0 H GLY A 27 2.763 -8.670 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.641 -10.304 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.316 -10.337 -11.277 1.00 0.00 H new ATOM 499 N SER A 28 2.427 -12.005 -9.028 1.00 0.00 N ATOM 500 CA SER A 28 2.202 -13.313 -8.415 1.00 0.00 C ATOM 501 C SER A 28 0.791 -13.779 -8.696 1.00 0.00 C ATOM 502 O SER A 28 0.604 -14.942 -9.018 1.00 0.00 O ATOM 503 CB SER A 28 2.424 -13.272 -6.882 1.00 0.00 C ATOM 504 OG SER A 28 3.714 -12.692 -6.620 1.00 0.00 O ATOM 0 H SER A 28 2.850 -11.307 -8.417 1.00 0.00 H new ATOM 0 HA SER A 28 2.922 -14.007 -8.850 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.641 -12.685 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.370 -14.278 -6.465 1.00 0.00 H new ATOM 0 HG SER A 28 3.867 -12.658 -5.653 1.00 0.00 H new ATOM 510 N ALA A 29 -0.204 -12.867 -8.588 1.00 0.00 N ATOM 511 CA ALA A 29 -1.586 -13.230 -8.902 1.00 0.00 C ATOM 512 C ALA A 29 -2.373 -12.010 -9.341 1.00 0.00 C ATOM 513 O ALA A 29 -2.832 -11.993 -10.472 1.00 0.00 O ATOM 514 CB ALA A 29 -2.248 -13.927 -7.687 1.00 0.00 C ATOM 0 H ALA A 29 -0.071 -11.900 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.584 -13.936 -9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.276 -14.191 -7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.691 -14.830 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.243 -13.250 -6.832 1.00 0.00 H new ATOM 520 N ARG A 30 -2.535 -10.982 -8.472 1.00 0.00 N ATOM 521 CA ARG A 30 -3.304 -9.794 -8.851 1.00 0.00 C ATOM 522 C ARG A 30 -3.159 -8.669 -7.840 1.00 0.00 C ATOM 523 O ARG A 30 -2.918 -7.548 -8.262 1.00 0.00 O ATOM 524 CB ARG A 30 -4.801 -10.115 -9.138 1.00 0.00 C ATOM 525 CG ARG A 30 -5.484 -10.970 -8.034 1.00 0.00 C ATOM 526 CD ARG A 30 -6.913 -11.420 -8.454 1.00 0.00 C ATOM 527 NE ARG A 30 -6.909 -12.428 -9.519 1.00 0.00 N ATOM 528 CZ ARG A 30 -8.003 -12.892 -10.086 1.00 0.00 C ATOM 529 NH1 ARG A 30 -9.209 -12.508 -9.730 1.00 0.00 N ATOM 530 NH2 ARG A 30 -7.892 -13.782 -11.046 1.00 0.00 N ATOM 0 H ARG A 30 -2.150 -10.959 -7.528 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.872 -9.444 -9.788 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.348 -9.179 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.874 -10.642 -10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.873 -11.848 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.541 -10.393 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.431 -11.822 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.478 -10.550 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.010 -12.789 -9.838 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.326 -11.822 -8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.027 -12.896 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.969 -14.102 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.728 -14.153 -11.497 1.00 0.00 H new ATOM 544 N PHE A 31 -3.288 -8.916 -6.515 1.00 0.00 N ATOM 545 CA PHE A 31 -3.087 -7.846 -5.537 1.00 0.00 C ATOM 546 C PHE A 31 -2.857 -8.429 -4.164 1.00 0.00 C ATOM 547 O PHE A 31 -3.119 -9.600 -3.945 1.00 0.00 O ATOM 548 CB PHE A 31 -4.296 -6.874 -5.518 1.00 0.00 C ATOM 549 CG PHE A 31 -5.609 -7.653 -5.353 1.00 0.00 C ATOM 550 CD1 PHE A 31 -5.973 -8.158 -4.099 1.00 0.00 C ATOM 551 CD2 PHE A 31 -6.456 -7.865 -6.446 1.00 0.00 C ATOM 552 CE1 PHE A 31 -7.136 -8.922 -3.954 1.00 0.00 C ATOM 553 CE2 PHE A 31 -7.637 -8.599 -6.296 1.00 0.00 C ATOM 554 CZ PHE A 31 -7.967 -9.148 -5.054 1.00 0.00 C ATOM 555 OXT PHE A 31 -2.406 -7.737 -3.267 1.00 0.00 O ATOM 0 H PHE A 31 -3.524 -9.825 -6.116 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.204 -7.279 -5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.184 -6.161 -4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.322 -6.298 -6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.352 -7.957 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.196 -7.459 -7.412 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.392 -9.338 -2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.295 -8.742 -7.141 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.861 -9.744 -4.945 1.00 0.00 H new TER 565 PHE A 31