USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 312 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 7 LYS NZ :NH3+ 158:sc= -0.0729 (180deg=-0.541) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 3 5.935 -3.481 -6.228 1.00 0.00 N ATOM 96 CA VAL A 3 4.542 -3.301 -5.839 1.00 0.00 C ATOM 97 C VAL A 3 3.708 -4.525 -6.202 1.00 0.00 C ATOM 98 O VAL A 3 2.701 -4.816 -5.556 1.00 0.00 O ATOM 99 CB VAL A 3 3.928 -2.058 -6.510 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.059 -2.147 -8.023 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.471 -1.897 -6.102 1.00 0.00 C ATOM 0 HA VAL A 3 4.530 -3.164 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 3 4.476 -1.178 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.620 -1.260 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.113 -2.210 -8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.539 -3.035 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.053 -1.014 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.908 -2.779 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.407 -1.783 -5.020 1.00 0.00 H new ATOM 111 N ARG A 4 4.134 -5.237 -7.240 1.00 0.00 N ATOM 112 CA ARG A 4 3.426 -6.430 -7.690 1.00 0.00 C ATOM 113 C ARG A 4 3.614 -7.579 -6.704 1.00 0.00 C ATOM 114 O ARG A 4 2.775 -8.474 -6.611 1.00 0.00 O ATOM 115 CB ARG A 4 3.918 -6.848 -9.077 1.00 0.00 C ATOM 116 CG ARG A 4 3.300 -6.045 -10.210 1.00 0.00 C ATOM 117 CD ARG A 4 3.226 -6.858 -11.493 1.00 0.00 C ATOM 118 NE ARG A 4 2.278 -7.964 -11.386 1.00 0.00 N ATOM 119 CZ ARG A 4 1.992 -8.786 -12.390 1.00 0.00 C ATOM 120 NH1 ARG A 4 2.578 -8.627 -13.569 1.00 0.00 N ATOM 121 NH2 ARG A 4 1.119 -9.769 -12.215 1.00 0.00 N ATOM 0 H ARG A 4 4.965 -5.009 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 4 2.364 -6.192 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.002 -6.741 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.696 -7.904 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.299 -5.722 -9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.889 -5.144 -10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.933 -6.208 -12.318 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.215 -7.250 -11.731 1.00 0.00 H new ATOM 0 HE ARG A 4 1.810 -8.113 -10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.250 -7.872 -13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.357 -9.259 -14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.667 -9.894 -11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.900 -10.400 -12.986 1.00 0.00 H new ATOM 135 N ARG A 5 4.722 -7.546 -5.971 1.00 0.00 N ATOM 136 CA ARG A 5 5.022 -8.585 -4.993 1.00 0.00 C ATOM 137 C ARG A 5 4.574 -8.164 -3.597 1.00 0.00 C ATOM 138 O ARG A 5 5.169 -8.563 -2.595 1.00 0.00 O ATOM 139 CB ARG A 5 6.521 -8.894 -4.988 1.00 0.00 C ATOM 140 CG ARG A 5 7.047 -9.378 -6.329 1.00 0.00 C ATOM 141 CD ARG A 5 6.446 -10.721 -6.712 1.00 0.00 C ATOM 142 NE ARG A 5 7.152 -11.337 -7.832 1.00 0.00 N ATOM 143 CZ ARG A 5 8.397 -11.795 -7.755 1.00 0.00 C ATOM 144 NH1 ARG A 5 9.069 -11.706 -6.615 1.00 0.00 N ATOM 145 NH2 ARG A 5 8.971 -12.343 -8.818 1.00 0.00 N ATOM 0 H ARG A 5 5.427 -6.811 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 5 4.474 -9.484 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.067 -7.997 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.725 -9.652 -4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.815 -8.642 -7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.133 -9.463 -6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.476 -11.390 -5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.397 -10.587 -6.975 1.00 0.00 H new ATOM 0 HE ARG A 5 6.662 -11.420 -8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.630 -11.286 -5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.025 -12.058 -6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.457 -12.413 -9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.927 -12.694 -8.757 1.00 0.00 H new ATOM 159 N LEU A 6 3.523 -7.354 -3.538 1.00 0.00 N ATOM 160 CA LEU A 6 2.995 -6.877 -2.264 1.00 0.00 C ATOM 161 C LEU A 6 1.526 -7.256 -2.108 1.00 0.00 C ATOM 162 O LEU A 6 0.674 -6.820 -2.883 1.00 0.00 O ATOM 163 CB LEU A 6 3.155 -5.359 -2.159 1.00 0.00 C ATOM 164 CG LEU A 6 4.576 -4.850 -1.913 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.656 -3.352 -2.159 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.024 -5.185 -0.498 1.00 0.00 C ATOM 0 H LEU A 6 3.019 -7.014 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 6 3.562 -7.352 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.784 -4.910 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.517 -5.001 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 6 5.247 -5.348 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.674 -3.008 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.377 -3.137 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.974 -2.835 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.037 -4.816 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.350 -4.714 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.006 -6.266 -0.357 1.00 0.00 H new ATOM 178 N LYS A 7 1.234 -8.070 -1.099 1.00 0.00 N ATOM 179 CA LYS A 7 -0.132 -8.506 -0.837 1.00 0.00 C ATOM 180 C LYS A 7 -1.073 -7.311 -0.729 1.00 0.00 C ATOM 181 O LYS A 7 -0.631 -6.166 -0.629 1.00 0.00 O ATOM 182 CB LYS A 7 -0.188 -9.331 0.451 1.00 0.00 C ATOM 183 CG LYS A 7 0.445 -10.706 0.321 1.00 0.00 C ATOM 184 CD LYS A 7 -0.106 -11.673 1.355 1.00 0.00 C ATOM 185 CE LYS A 7 0.736 -12.937 1.441 1.00 0.00 C ATOM 186 NZ LYS A 7 2.124 -12.647 1.896 1.00 0.00 N ATOM 0 H LYS A 7 1.927 -8.441 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.455 -9.126 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.316 -8.782 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.229 -9.447 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.262 -11.099 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.525 -10.623 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.135 -11.187 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.133 -11.935 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.267 -13.640 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.767 -13.420 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.546 -13.510 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.694 -12.325 1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.103 -11.904 2.623 1.00 0.00 H new ATOM 200 N VAL A 8 -2.374 -7.584 -0.748 1.00 0.00 N ATOM 201 CA VAL A 8 -3.378 -6.532 -0.649 1.00 0.00 C ATOM 202 C VAL A 8 -3.190 -5.710 0.621 1.00 0.00 C ATOM 203 O VAL A 8 -3.393 -4.497 0.624 1.00 0.00 O ATOM 204 CB VAL A 8 -4.804 -7.113 -0.666 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.021 -7.961 -1.910 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.063 -7.924 0.595 1.00 0.00 C ATOM 0 H VAL A 8 -2.757 -8.526 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.247 -5.887 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.514 -6.287 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.034 -8.363 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.880 -7.346 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.305 -8.783 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.075 -8.327 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.347 -8.744 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.952 -7.283 1.469 1.00 0.00 H new ATOM 216 N ASN A 9 -2.801 -6.381 1.701 1.00 0.00 N ATOM 217 CA ASN A 9 -2.585 -5.713 2.979 1.00 0.00 C ATOM 218 C ASN A 9 -1.379 -4.781 2.909 1.00 0.00 C ATOM 219 O ASN A 9 -1.410 -3.670 3.437 1.00 0.00 O ATOM 220 CB ASN A 9 -2.383 -6.745 4.090 1.00 0.00 C ATOM 221 CG ASN A 9 -3.693 -7.325 4.586 1.00 0.00 C ATOM 222 OD1 ASN A 9 -4.431 -6.676 5.328 1.00 0.00 O ATOM 223 ND2 ASN A 9 -3.989 -8.554 4.178 1.00 0.00 N ATOM 0 H ASN A 9 -2.629 -7.386 1.716 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.470 -5.117 3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.748 -7.551 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.856 -6.279 4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.857 -8.996 4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.348 -9.055 3.563 1.00 0.00 H new ATOM 230 N GLU A 10 -0.319 -5.243 2.254 1.00 0.00 N ATOM 231 CA GLU A 10 0.898 -4.450 2.116 1.00 0.00 C ATOM 232 C GLU A 10 0.630 -3.177 1.319 1.00 0.00 C ATOM 233 O GLU A 10 1.153 -2.109 1.639 1.00 0.00 O ATOM 234 CB GLU A 10 1.993 -5.271 1.433 1.00 0.00 C ATOM 235 CG GLU A 10 2.520 -6.412 2.287 1.00 0.00 C ATOM 236 CD GLU A 10 3.368 -5.928 3.448 1.00 0.00 C ATOM 237 OE1 GLU A 10 4.312 -5.148 3.209 1.00 0.00 O ATOM 238 OE2 GLU A 10 3.085 -6.331 4.596 1.00 0.00 O ATOM 0 H GLU A 10 -0.278 -6.161 1.811 1.00 0.00 H new ATOM 0 HA GLU A 10 1.234 -4.169 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.602 -5.677 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.821 -4.611 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.680 -6.991 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.112 -7.083 1.665 1.00 0.00 H new ATOM 245 N LEU A 11 -0.188 -3.298 0.279 1.00 0.00 N ATOM 246 CA LEU A 11 -0.526 -2.158 -0.566 1.00 0.00 C ATOM 247 C LEU A 11 -1.374 -1.146 0.199 1.00 0.00 C ATOM 248 O LEU A 11 -1.190 0.063 0.060 1.00 0.00 O ATOM 249 CB LEU A 11 -1.275 -2.627 -1.815 1.00 0.00 C ATOM 250 CG LEU A 11 -0.574 -3.696 -2.655 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.569 -4.389 -3.573 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.561 -3.082 -3.461 1.00 0.00 C ATOM 0 H LEU A 11 -0.630 -4.174 0.001 1.00 0.00 H new ATOM 0 HA LEU A 11 0.402 -1.673 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.247 -3.014 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.463 -1.760 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.151 -4.442 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.053 -5.146 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.347 -4.863 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.021 -3.655 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.048 -3.857 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.162 -2.316 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.287 -2.633 -2.783 1.00 0.00 H new ATOM 264 N ARG A 12 -2.301 -1.650 1.007 1.00 0.00 N ATOM 265 CA ARG A 12 -3.177 -0.790 1.794 1.00 0.00 C ATOM 266 C ARG A 12 -2.373 0.032 2.797 1.00 0.00 C ATOM 267 O ARG A 12 -2.582 1.237 2.936 1.00 0.00 O ATOM 268 CB ARG A 12 -4.224 -1.629 2.529 1.00 0.00 C ATOM 269 CG ARG A 12 -5.468 -1.910 1.703 1.00 0.00 C ATOM 270 CD ARG A 12 -6.552 -2.576 2.536 1.00 0.00 C ATOM 271 NE ARG A 12 -7.335 -1.602 3.293 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.553 -1.846 3.764 1.00 0.00 C ATOM 273 NH1 ARG A 12 -9.124 -3.025 3.558 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.202 -0.909 4.444 1.00 0.00 N ATOM 0 H ARG A 12 -2.465 -2.649 1.134 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.683 -0.106 1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.774 -2.576 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.515 -1.112 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.849 -0.977 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.209 -2.552 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.214 -3.144 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.095 -3.288 3.224 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.924 -0.685 3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.628 -3.748 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.059 -3.209 3.921 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.766 -0.001 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.137 -1.097 4.805 1.00 0.00 H new ATOM 288 N GLU A 13 -1.453 -0.628 3.494 1.00 0.00 N ATOM 289 CA GLU A 13 -0.619 0.042 4.485 1.00 0.00 C ATOM 290 C GLU A 13 0.287 1.076 3.823 1.00 0.00 C ATOM 291 O GLU A 13 0.469 2.178 4.341 1.00 0.00 O ATOM 292 CB GLU A 13 0.228 -0.980 5.246 1.00 0.00 C ATOM 293 CG GLU A 13 1.074 -1.863 4.344 1.00 0.00 C ATOM 294 CD GLU A 13 1.953 -2.821 5.124 1.00 0.00 C ATOM 295 OE1 GLU A 13 1.404 -3.745 5.760 1.00 0.00 O ATOM 296 OE2 GLU A 13 3.189 -2.647 5.099 1.00 0.00 O ATOM 0 H GLU A 13 -1.267 -1.625 3.391 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.275 0.555 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.882 -0.452 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.430 -1.611 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.421 -2.432 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.700 -1.235 3.711 1.00 0.00 H new ATOM 303 N GLU A 14 0.852 0.713 2.676 1.00 0.00 N ATOM 304 CA GLU A 14 1.740 1.609 1.945 1.00 0.00 C ATOM 305 C GLU A 14 0.972 2.811 1.401 1.00 0.00 C ATOM 306 O GLU A 14 1.446 3.946 1.467 1.00 0.00 O ATOM 307 CB GLU A 14 2.421 0.863 0.796 1.00 0.00 C ATOM 308 CG GLU A 14 3.537 -0.064 1.249 1.00 0.00 C ATOM 309 CD GLU A 14 4.567 0.640 2.111 1.00 0.00 C ATOM 310 OE1 GLU A 14 5.269 1.531 1.588 1.00 0.00 O ATOM 311 OE2 GLU A 14 4.670 0.301 3.308 1.00 0.00 O ATOM 0 H GLU A 14 0.711 -0.195 2.233 1.00 0.00 H new ATOM 0 HA GLU A 14 2.502 1.968 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.673 0.281 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.827 1.590 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.109 -0.896 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.030 -0.488 0.374 1.00 0.00 H new ATOM 318 N LEU A 15 -0.214 2.553 0.863 1.00 0.00 N ATOM 319 CA LEU A 15 -1.049 3.612 0.306 1.00 0.00 C ATOM 320 C LEU A 15 -1.499 4.580 1.396 1.00 0.00 C ATOM 321 O LEU A 15 -1.483 5.795 1.204 1.00 0.00 O ATOM 322 CB LEU A 15 -2.269 3.012 -0.394 1.00 0.00 C ATOM 323 CG LEU A 15 -2.010 2.359 -1.752 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.217 1.546 -2.193 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.665 3.413 -2.794 1.00 0.00 C ATOM 0 H LEU A 15 -0.620 1.619 0.800 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.455 4.164 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.712 2.267 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.010 3.800 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.160 1.684 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.014 1.089 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.418 0.766 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.085 2.200 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.484 2.930 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.494 4.114 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.769 3.951 -2.484 1.00 0.00 H new ATOM 337 N GLN A 16 -1.897 4.032 2.539 1.00 0.00 N ATOM 338 CA GLN A 16 -2.350 4.848 3.660 1.00 0.00 C ATOM 339 C GLN A 16 -1.236 5.769 4.147 1.00 0.00 C ATOM 340 O GLN A 16 -1.488 6.906 4.548 1.00 0.00 O ATOM 341 CB GLN A 16 -2.829 3.956 4.807 1.00 0.00 C ATOM 342 CG GLN A 16 -4.279 3.520 4.674 1.00 0.00 C ATOM 343 CD GLN A 16 -5.250 4.549 5.220 1.00 0.00 C ATOM 344 OE1 GLN A 16 -5.033 5.754 5.090 1.00 0.00 O ATOM 345 NE2 GLN A 16 -6.328 4.077 5.835 1.00 0.00 N ATOM 0 H GLN A 16 -1.915 3.027 2.714 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.182 5.463 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.195 3.071 4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.704 4.491 5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.504 3.335 3.624 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.421 2.577 5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.467 3.070 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.017 4.721 6.223 1.00 0.00 H new ATOM 354 N ARG A 17 -0.005 5.271 4.111 1.00 0.00 N ATOM 355 CA ARG A 17 1.147 6.049 4.550 1.00 0.00 C ATOM 356 C ARG A 17 1.354 7.267 3.655 1.00 0.00 C ATOM 357 O ARG A 17 1.769 8.329 4.121 1.00 0.00 O ATOM 358 CB ARG A 17 2.407 5.181 4.548 1.00 0.00 C ATOM 359 CG ARG A 17 3.673 5.943 4.904 1.00 0.00 C ATOM 360 CD ARG A 17 4.907 5.064 4.777 1.00 0.00 C ATOM 361 NE ARG A 17 6.142 5.837 4.878 1.00 0.00 N ATOM 362 CZ ARG A 17 7.353 5.292 4.859 1.00 0.00 C ATOM 363 NH1 ARG A 17 7.491 3.979 4.742 1.00 0.00 N ATOM 364 NH2 ARG A 17 8.430 6.062 4.955 1.00 0.00 N ATOM 0 H ARG A 17 0.221 4.332 3.782 1.00 0.00 H new ATOM 0 HA ARG A 17 0.954 6.395 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.275 4.362 5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.528 4.733 3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.773 6.809 4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.597 6.320 5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.891 4.302 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.883 4.542 3.821 1.00 0.00 H new ATOM 0 HE ARG A 17 6.071 6.851 4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.666 3.384 4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.422 3.563 4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.328 7.073 5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.360 5.643 4.940 1.00 0.00 H new ATOM 378 N ARG A 18 1.063 7.106 2.369 1.00 0.00 N ATOM 379 CA ARG A 18 1.218 8.192 1.408 1.00 0.00 C ATOM 380 C ARG A 18 -0.066 9.008 1.298 1.00 0.00 C ATOM 381 O ARG A 18 -0.187 9.880 0.438 1.00 0.00 O ATOM 382 CB ARG A 18 1.601 7.636 0.035 1.00 0.00 C ATOM 383 CG ARG A 18 3.025 7.107 -0.032 1.00 0.00 C ATOM 384 CD ARG A 18 3.407 6.717 -1.451 1.00 0.00 C ATOM 385 NE ARG A 18 4.854 6.721 -1.649 1.00 0.00 N ATOM 386 CZ ARG A 18 5.675 5.838 -1.090 1.00 0.00 C ATOM 387 NH1 ARG A 18 5.193 4.886 -0.303 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.980 5.907 -1.317 1.00 0.00 N ATOM 0 H ARG A 18 0.718 6.234 1.968 1.00 0.00 H new ATOM 0 HA ARG A 18 2.015 8.846 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.912 6.834 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.478 8.420 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.714 7.867 0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.124 6.242 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.014 5.725 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.943 7.408 -2.154 1.00 0.00 H new ATOM 0 HE ARG A 18 5.256 7.441 -2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.190 4.830 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.825 4.209 0.125 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.355 6.638 -1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.609 5.229 -0.887 1.00 0.00 H new ATOM 402 N GLY A 19 -1.023 8.719 2.175 1.00 0.00 N ATOM 403 CA GLY A 19 -2.285 9.434 2.158 1.00 0.00 C ATOM 404 C GLY A 19 -3.090 9.162 0.902 1.00 0.00 C ATOM 405 O GLY A 19 -3.933 9.970 0.509 1.00 0.00 O ATOM 0 H GLY A 19 -0.946 8.002 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.872 9.149 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.094 10.504 2.238 1.00 0.00 H new ATOM 409 N LEU A 20 -2.828 8.024 0.269 1.00 0.00 N ATOM 410 CA LEU A 20 -3.533 7.648 -0.951 1.00 0.00 C ATOM 411 C LEU A 20 -4.754 6.791 -0.633 1.00 0.00 C ATOM 412 O LEU A 20 -4.762 6.043 0.345 1.00 0.00 O ATOM 413 CB LEU A 20 -2.596 6.890 -1.892 1.00 0.00 C ATOM 414 CG LEU A 20 -1.289 7.599 -2.252 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.269 6.602 -2.779 1.00 0.00 C ATOM 416 CD2 LEU A 20 -1.542 8.697 -3.275 1.00 0.00 C ATOM 0 H LEU A 20 -2.133 7.346 0.580 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.871 8.561 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.352 5.931 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.136 6.675 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.886 8.057 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.654 7.124 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.065 5.852 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.664 6.114 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.601 9.191 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.968 8.261 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.238 9.427 -2.861 1.00 0.00 H new ATOM 428 N ASP A 21 -5.783 6.904 -1.465 1.00 0.00 N ATOM 429 CA ASP A 21 -7.009 6.137 -1.275 1.00 0.00 C ATOM 430 C ASP A 21 -6.724 4.638 -1.318 1.00 0.00 C ATOM 431 O ASP A 21 -5.915 4.171 -2.120 1.00 0.00 O ATOM 432 CB ASP A 21 -8.037 6.504 -2.345 1.00 0.00 C ATOM 433 CG ASP A 21 -9.464 6.332 -1.861 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.819 5.208 -1.450 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.225 7.322 -1.894 1.00 0.00 O ATOM 0 H ASP A 21 -5.793 7.520 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.414 6.384 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.883 7.538 -2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.878 5.882 -3.226 1.00 0.00 H new ATOM 440 N THR A 22 -7.395 3.889 -0.448 1.00 0.00 N ATOM 441 CA THR A 22 -7.213 2.444 -0.385 1.00 0.00 C ATOM 442 C THR A 22 -8.429 1.712 -0.939 1.00 0.00 C ATOM 443 O THR A 22 -8.795 0.641 -0.454 1.00 0.00 O ATOM 444 CB THR A 22 -6.957 1.973 1.059 1.00 0.00 C ATOM 445 OG1 THR A 22 -8.056 2.345 1.898 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.670 2.573 1.605 1.00 0.00 C ATOM 0 H THR A 22 -8.069 4.259 0.222 1.00 0.00 H new ATOM 0 HA THR A 22 -6.342 2.208 -0.996 1.00 0.00 H new ATOM 0 HB THR A 22 -6.858 0.888 1.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.886 2.040 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.511 2.226 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.831 2.263 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.744 3.660 1.599 1.00 0.00 H new ATOM 454 N ARG A 23 -9.053 2.295 -1.957 1.00 0.00 N ATOM 455 CA ARG A 23 -10.229 1.697 -2.577 1.00 0.00 C ATOM 456 C ARG A 23 -9.877 1.074 -3.924 1.00 0.00 C ATOM 457 O ARG A 23 -8.882 1.439 -4.547 1.00 0.00 O ATOM 458 CB ARG A 23 -11.325 2.749 -2.760 1.00 0.00 C ATOM 459 CG ARG A 23 -11.885 3.281 -1.451 1.00 0.00 C ATOM 460 CD ARG A 23 -12.813 2.273 -0.792 1.00 0.00 C ATOM 461 NE ARG A 23 -14.134 2.257 -1.414 1.00 0.00 N ATOM 462 CZ ARG A 23 -15.007 1.267 -1.261 1.00 0.00 C ATOM 463 NH1 ARG A 23 -14.699 0.218 -0.511 1.00 0.00 N ATOM 464 NH2 ARG A 23 -16.189 1.326 -1.860 1.00 0.00 N ATOM 0 H ARG A 23 -8.764 3.182 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.596 0.910 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.925 3.581 -3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.138 2.317 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.065 3.520 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.426 4.209 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.371 1.279 -0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.914 2.511 0.267 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.401 3.049 -1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.790 0.170 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.371 -0.541 -0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.428 2.131 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.859 0.566 -1.742 1.00 0.00 H new ATOM 478 N GLY A 24 -10.701 0.129 -4.366 1.00 0.00 N ATOM 479 CA GLY A 24 -10.459 -0.531 -5.636 1.00 0.00 C ATOM 480 C GLY A 24 -9.832 -1.901 -5.467 1.00 0.00 C ATOM 481 O GLY A 24 -9.201 -2.181 -4.447 1.00 0.00 O ATOM 0 H GLY A 24 -11.531 -0.191 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.401 -0.630 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.805 0.092 -6.247 1.00 0.00 H new ATOM 485 N LEU A 25 -10.005 -2.757 -6.468 1.00 0.00 N ATOM 486 CA LEU A 25 -9.452 -4.106 -6.426 1.00 0.00 C ATOM 487 C LEU A 25 -7.949 -4.070 -6.166 1.00 0.00 C ATOM 488 O LEU A 25 -7.319 -3.016 -6.246 1.00 0.00 O ATOM 489 CB LEU A 25 -9.737 -4.837 -7.739 1.00 0.00 C ATOM 490 CG LEU A 25 -11.114 -5.489 -7.859 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.529 -5.597 -9.318 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.114 -6.861 -7.200 1.00 0.00 C ATOM 0 H LEU A 25 -10.524 -2.541 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.931 -4.643 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.620 -4.128 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.979 -5.608 -7.874 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.838 -4.859 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.512 -6.064 -9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.570 -4.601 -9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.803 -6.204 -9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.103 -7.310 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.377 -7.499 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.863 -6.758 -6.144 1.00 0.00 H new ATOM 504 N LYS A 26 -7.380 -5.230 -5.857 1.00 0.00 N ATOM 505 CA LYS A 26 -5.950 -5.334 -5.589 1.00 0.00 C ATOM 506 C LYS A 26 -5.138 -4.718 -6.723 1.00 0.00 C ATOM 507 O LYS A 26 -4.238 -3.912 -6.487 1.00 0.00 O ATOM 508 CB LYS A 26 -5.551 -6.799 -5.399 1.00 0.00 C ATOM 509 CG LYS A 26 -4.083 -6.991 -5.062 1.00 0.00 C ATOM 510 CD LYS A 26 -3.676 -8.452 -5.151 1.00 0.00 C ATOM 511 CE LYS A 26 -2.164 -8.609 -5.194 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.742 -10.003 -4.887 1.00 0.00 N ATOM 0 H LYS A 26 -7.887 -6.112 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.737 -4.784 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.157 -7.232 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.781 -7.351 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.472 -6.400 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.888 -6.619 -4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.075 -8.994 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.115 -8.899 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.798 -8.328 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.707 -7.925 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.705 -10.068 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.069 -10.263 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.157 -10.653 -5.585 1.00 0.00 H new ATOM 526 N ALA A 27 -5.463 -5.100 -7.953 1.00 0.00 N ATOM 527 CA ALA A 27 -4.765 -4.582 -9.124 1.00 0.00 C ATOM 528 C ALA A 27 -4.842 -3.060 -9.179 1.00 0.00 C ATOM 529 O ALA A 27 -3.860 -2.392 -9.500 1.00 0.00 O ATOM 530 CB ALA A 27 -5.343 -5.188 -10.394 1.00 0.00 C ATOM 0 H ALA A 27 -6.205 -5.767 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.715 -4.864 -9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.812 -4.792 -11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.231 -6.272 -10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.400 -4.935 -10.469 1.00 0.00 H new ATOM 536 N GLU A 28 -6.015 -2.519 -8.865 1.00 0.00 N ATOM 537 CA GLU A 28 -6.219 -1.075 -8.881 1.00 0.00 C ATOM 538 C GLU A 28 -5.291 -0.384 -7.886 1.00 0.00 C ATOM 539 O GLU A 28 -4.713 0.662 -8.183 1.00 0.00 O ATOM 540 CB GLU A 28 -7.676 -0.740 -8.555 1.00 0.00 C ATOM 541 CG GLU A 28 -8.657 -1.187 -9.625 1.00 0.00 C ATOM 542 CD GLU A 28 -8.228 -0.774 -11.020 1.00 0.00 C ATOM 543 OE1 GLU A 28 -8.011 0.436 -11.239 1.00 0.00 O ATOM 544 OE2 GLU A 28 -8.109 -1.661 -11.891 1.00 0.00 O ATOM 0 H GLU A 28 -6.838 -3.058 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.986 -0.711 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.945 -1.209 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.770 0.337 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.761 -2.271 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.639 -0.765 -9.411 1.00 0.00 H new ATOM 551 N LEU A 29 -5.155 -0.975 -6.705 1.00 0.00 N ATOM 552 CA LEU A 29 -4.298 -0.417 -5.664 1.00 0.00 C ATOM 553 C LEU A 29 -2.843 -0.378 -6.120 1.00 0.00 C ATOM 554 O LEU A 29 -2.130 0.595 -5.872 1.00 0.00 O ATOM 555 CB LEU A 29 -4.420 -1.239 -4.380 1.00 0.00 C ATOM 556 CG LEU A 29 -5.790 -1.225 -3.702 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.774 -2.086 -2.448 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.205 0.200 -3.366 1.00 0.00 C ATOM 0 H LEU A 29 -5.627 -1.841 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.625 0.604 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.160 -2.273 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.680 -0.874 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.521 -1.641 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.758 -2.064 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.522 -3.112 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.031 -1.699 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.183 0.190 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.472 0.643 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.258 0.789 -4.282 1.00 0.00 H new ATOM 570 N ALA A 30 -2.409 -1.441 -6.790 1.00 0.00 N ATOM 571 CA ALA A 30 -1.040 -1.526 -7.284 1.00 0.00 C ATOM 572 C ALA A 30 -0.750 -0.417 -8.290 1.00 0.00 C ATOM 573 O ALA A 30 0.309 0.208 -8.250 1.00 0.00 O ATOM 574 CB ALA A 30 -0.789 -2.889 -7.911 1.00 0.00 C ATOM 0 H ALA A 30 -2.986 -2.255 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.366 -1.398 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.237 -2.938 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.947 -3.667 -7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.477 -3.039 -8.743 1.00 0.00 H new ATOM 580 N GLU A 31 -1.698 -0.179 -9.192 1.00 0.00 N ATOM 581 CA GLU A 31 -1.541 0.853 -10.209 1.00 0.00 C ATOM 582 C GLU A 31 -1.462 2.237 -9.572 1.00 0.00 C ATOM 583 O GLU A 31 -0.650 3.071 -9.972 1.00 0.00 O ATOM 584 CB GLU A 31 -2.705 0.803 -11.202 1.00 0.00 C ATOM 585 CG GLU A 31 -2.772 -0.491 -11.995 1.00 0.00 C ATOM 586 CD GLU A 31 -1.544 -0.713 -12.856 1.00 0.00 C ATOM 587 OE1 GLU A 31 -1.031 0.275 -13.422 1.00 0.00 O ATOM 588 OE2 GLU A 31 -1.096 -1.873 -12.963 1.00 0.00 O ATOM 0 H GLU A 31 -2.581 -0.687 -9.238 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.609 0.663 -10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.641 0.936 -10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.617 1.640 -11.895 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.885 -1.329 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.658 -0.478 -12.629 1.00 0.00 H new ATOM 595 N ARG A 32 -2.312 2.474 -8.578 1.00 0.00 N ATOM 596 CA ARG A 32 -2.340 3.757 -7.885 1.00 0.00 C ATOM 597 C ARG A 32 -1.088 3.942 -7.032 1.00 0.00 C ATOM 598 O ARG A 32 -0.564 5.050 -6.912 1.00 0.00 O ATOM 599 CB ARG A 32 -3.588 3.860 -7.008 1.00 0.00 C ATOM 600 CG ARG A 32 -3.388 4.705 -5.760 1.00 0.00 C ATOM 601 CD ARG A 32 -4.596 4.634 -4.839 1.00 0.00 C ATOM 602 NE ARG A 32 -5.565 5.688 -5.126 1.00 0.00 N ATOM 603 CZ ARG A 32 -6.497 5.593 -6.067 1.00 0.00 C ATOM 604 NH1 ARG A 32 -6.586 4.498 -6.809 1.00 0.00 N ATOM 605 NH2 ARG A 32 -7.344 6.596 -6.268 1.00 0.00 N ATOM 0 H ARG A 32 -2.991 1.794 -8.234 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.367 4.547 -8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.401 4.284 -7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.897 2.858 -6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.502 4.363 -5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.208 5.741 -6.046 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.076 3.661 -4.945 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.267 4.716 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.524 6.544 -4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.937 3.725 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.303 4.428 -7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.279 7.440 -5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.060 6.522 -6.991 1.00 0.00 H new ATOM 619 N LEU A 33 -0.615 2.850 -6.442 1.00 0.00 N ATOM 620 CA LEU A 33 0.575 2.891 -5.599 1.00 0.00 C ATOM 621 C LEU A 33 1.811 3.249 -6.418 1.00 0.00 C ATOM 622 O LEU A 33 2.616 4.085 -6.010 1.00 0.00 O ATOM 623 CB LEU A 33 0.781 1.542 -4.907 1.00 0.00 C ATOM 624 CG LEU A 33 2.053 1.405 -4.070 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.024 2.367 -2.892 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.221 -0.028 -3.587 1.00 0.00 C ATOM 0 H LEU A 33 -1.037 1.926 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 33 0.427 3.662 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.077 1.352 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.785 0.762 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 33 2.907 1.659 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.938 2.255 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.952 3.391 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.162 2.146 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.131 -0.107 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.363 -0.309 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.289 -0.696 -4.446 1.00 0.00 H new ATOM 638 N GLN A 34 1.952 2.612 -7.576 1.00 0.00 N ATOM 639 CA GLN A 34 3.088 2.866 -8.453 1.00 0.00 C ATOM 640 C GLN A 34 3.084 4.308 -8.948 1.00 0.00 C ATOM 641 O GLN A 34 4.137 4.929 -9.092 1.00 0.00 O ATOM 642 CB GLN A 34 3.064 1.906 -9.644 1.00 0.00 C ATOM 643 CG GLN A 34 4.325 1.957 -10.493 1.00 0.00 C ATOM 644 CD GLN A 34 4.636 0.631 -11.157 1.00 0.00 C ATOM 645 OE1 GLN A 34 4.198 0.366 -12.277 1.00 0.00 O ATOM 646 NE2 GLN A 34 5.396 -0.212 -10.468 1.00 0.00 N ATOM 0 H GLN A 34 1.294 1.917 -7.928 1.00 0.00 H new ATOM 0 HA GLN A 34 4.000 2.701 -7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.924 0.889 -9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.204 2.140 -10.271 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.212 2.725 -11.259 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.168 2.252 -9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.737 0.049 -9.543 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.638 -1.120 -10.864 1.00 0.00 H new ATOM 655 N ALA A 35 1.892 4.836 -9.207 1.00 0.00 N ATOM 656 CA ALA A 35 1.750 6.206 -9.683 1.00 0.00 C ATOM 657 C ALA A 35 2.385 7.194 -8.711 1.00 0.00 C ATOM 658 O ALA A 35 2.980 8.190 -9.122 1.00 0.00 O ATOM 659 CB ALA A 35 0.282 6.542 -9.897 1.00 0.00 C ATOM 0 H ALA A 35 1.011 4.335 -9.095 1.00 0.00 H new ATOM 0 HA ALA A 35 2.272 6.288 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.192 7.568 -10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.143 5.863 -10.637 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.257 6.436 -8.955 1.00 0.00 H new ATOM 665 N ALA A 36 2.253 6.913 -7.419 1.00 0.00 N ATOM 666 CA ALA A 36 2.815 7.777 -6.388 1.00 0.00 C ATOM 667 C ALA A 36 4.327 7.608 -6.294 1.00 0.00 C ATOM 668 O ALA A 36 5.065 8.585 -6.158 1.00 0.00 O ATOM 669 CB ALA A 36 2.165 7.485 -5.043 1.00 0.00 C ATOM 0 H ALA A 36 1.762 6.094 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 36 2.608 8.811 -6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.594 8.137 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.092 7.664 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.343 6.445 -4.771 1.00 0.00 H new ATOM 675 N LEU A 37 4.784 6.362 -6.367 1.00 0.00 N ATOM 676 CA LEU A 37 6.210 6.065 -6.290 1.00 0.00 C ATOM 677 C LEU A 37 6.960 6.685 -7.465 1.00 0.00 C ATOM 678 O LEU A 37 7.994 7.329 -7.284 1.00 0.00 O ATOM 679 CB LEU A 37 6.436 4.552 -6.268 1.00 0.00 C ATOM 680 CG LEU A 37 5.884 3.809 -5.051 1.00 0.00 C ATOM 681 CD1 LEU A 37 5.786 2.318 -5.335 1.00 0.00 C ATOM 682 CD2 LEU A 37 6.755 4.065 -3.830 1.00 0.00 C ATOM 0 H LEU A 37 4.188 5.542 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 37 6.596 6.498 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.987 4.125 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.508 4.364 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 37 4.882 4.185 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.391 1.806 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.121 2.152 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.776 1.926 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.347 3.529 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.769 3.717 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.774 5.133 -3.614 1.00 0.00 H new