USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.0425 K(o=0.042,f=-0.73) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.774 X(o=-0.77,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 3 5.797 -3.674 -6.701 1.00 0.00 N ATOM 96 CA VAL A 3 4.433 -3.529 -6.207 1.00 0.00 C ATOM 97 C VAL A 3 3.625 -4.799 -6.444 1.00 0.00 C ATOM 98 O VAL A 3 2.737 -5.137 -5.661 1.00 0.00 O ATOM 99 CB VAL A 3 3.715 -2.344 -6.881 1.00 0.00 C ATOM 100 CG1 VAL A 3 3.724 -2.505 -8.394 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.292 -2.216 -6.359 1.00 0.00 C ATOM 0 HA VAL A 3 4.503 -3.341 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 3 4.252 -1.428 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.213 -1.659 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.754 -2.543 -8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.212 -3.429 -8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.800 -1.374 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.742 -3.132 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.313 -2.050 -5.282 1.00 0.00 H new ATOM 111 N ARG A 4 3.938 -5.500 -7.529 1.00 0.00 N ATOM 112 CA ARG A 4 3.241 -6.734 -7.869 1.00 0.00 C ATOM 113 C ARG A 4 3.431 -7.785 -6.779 1.00 0.00 C ATOM 114 O ARG A 4 2.583 -8.657 -6.589 1.00 0.00 O ATOM 115 CB ARG A 4 3.744 -7.276 -9.208 1.00 0.00 C ATOM 116 CG ARG A 4 3.719 -6.250 -10.329 1.00 0.00 C ATOM 117 CD ARG A 4 4.730 -6.586 -11.415 1.00 0.00 C ATOM 118 NE ARG A 4 4.182 -7.508 -12.406 1.00 0.00 N ATOM 119 CZ ARG A 4 4.683 -7.656 -13.627 1.00 0.00 C ATOM 120 NH1 ARG A 4 5.738 -6.947 -14.005 1.00 0.00 N ATOM 121 NH2 ARG A 4 4.129 -8.516 -14.473 1.00 0.00 N ATOM 0 H ARG A 4 4.670 -5.234 -8.188 1.00 0.00 H new ATOM 0 HA ARG A 4 2.177 -6.510 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.764 -7.640 -9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.133 -8.132 -9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.720 -6.207 -10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.934 -5.261 -9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.048 -5.669 -11.910 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.617 -7.027 -10.961 1.00 0.00 H new ATOM 0 HE ARG A 4 3.370 -8.069 -12.146 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.167 -6.286 -13.357 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.121 -7.063 -14.943 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.318 -9.064 -14.185 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.514 -8.629 -15.411 1.00 0.00 H new ATOM 135 N ARG A 5 4.549 -7.695 -6.067 1.00 0.00 N ATOM 136 CA ARG A 5 4.851 -8.639 -4.997 1.00 0.00 C ATOM 137 C ARG A 5 4.211 -8.196 -3.685 1.00 0.00 C ATOM 138 O ARG A 5 4.242 -8.922 -2.690 1.00 0.00 O ATOM 139 CB ARG A 5 6.364 -8.773 -4.819 1.00 0.00 C ATOM 140 CG ARG A 5 6.993 -9.825 -5.718 1.00 0.00 C ATOM 141 CD ARG A 5 7.015 -9.375 -7.171 1.00 0.00 C ATOM 142 NE ARG A 5 7.259 -10.488 -8.085 1.00 0.00 N ATOM 143 CZ ARG A 5 8.444 -11.067 -8.237 1.00 0.00 C ATOM 144 NH1 ARG A 5 9.488 -10.642 -7.539 1.00 0.00 N ATOM 145 NH2 ARG A 5 8.587 -12.075 -9.088 1.00 0.00 N ATOM 0 H ARG A 5 5.261 -6.979 -6.211 1.00 0.00 H new ATOM 0 HA ARG A 5 4.437 -9.609 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.832 -7.809 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.578 -9.021 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.010 -10.030 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.436 -10.758 -5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.064 -8.904 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.789 -8.620 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 5 6.476 -10.840 -8.637 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.382 -9.868 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.397 -11.089 -7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.786 -12.406 -9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.498 -12.519 -9.204 1.00 0.00 H new ATOM 159 N LEU A 6 3.631 -7.001 -3.689 1.00 0.00 N ATOM 160 CA LEU A 6 2.983 -6.460 -2.499 1.00 0.00 C ATOM 161 C LEU A 6 1.512 -6.860 -2.450 1.00 0.00 C ATOM 162 O LEU A 6 0.706 -6.403 -3.260 1.00 0.00 O ATOM 163 CB LEU A 6 3.110 -4.936 -2.473 1.00 0.00 C ATOM 164 CG LEU A 6 4.534 -4.382 -2.398 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.511 -2.867 -2.273 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.288 -5.005 -1.232 1.00 0.00 C ATOM 0 H LEU A 6 3.596 -6.388 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 6 3.482 -6.875 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.633 -4.536 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.549 -4.559 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 6 5.054 -4.642 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.533 -2.491 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.010 -2.438 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.974 -2.585 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.299 -4.599 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.770 -4.777 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.336 -6.086 -1.365 1.00 0.00 H new ATOM 178 N LYS A 7 1.169 -7.716 -1.493 1.00 0.00 N ATOM 179 CA LYS A 7 -0.206 -8.176 -1.335 1.00 0.00 C ATOM 180 C LYS A 7 -1.144 -7.005 -1.063 1.00 0.00 C ATOM 181 O LYS A 7 -0.704 -5.863 -0.925 1.00 0.00 O ATOM 182 CB LYS A 7 -0.297 -9.193 -0.195 1.00 0.00 C ATOM 183 CG LYS A 7 0.028 -10.614 -0.620 1.00 0.00 C ATOM 184 CD LYS A 7 -1.089 -11.216 -1.456 1.00 0.00 C ATOM 185 CE LYS A 7 -2.252 -11.670 -0.589 1.00 0.00 C ATOM 186 NZ LYS A 7 -3.354 -12.257 -1.401 1.00 0.00 N ATOM 0 H LYS A 7 1.824 -8.105 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.512 -8.654 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.386 -8.896 0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.304 -9.169 0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.956 -10.620 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.194 -11.230 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.439 -10.481 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.704 -12.064 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.901 -12.407 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.633 -10.822 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.128 -12.554 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.707 -11.546 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.998 -13.082 -1.925 1.00 0.00 H new ATOM 200 N VAL A 8 -2.438 -7.295 -0.984 1.00 0.00 N ATOM 201 CA VAL A 8 -3.438 -6.266 -0.725 1.00 0.00 C ATOM 202 C VAL A 8 -3.163 -5.553 0.594 1.00 0.00 C ATOM 203 O VAL A 8 -3.350 -4.342 0.708 1.00 0.00 O ATOM 204 CB VAL A 8 -4.859 -6.860 -0.688 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.286 -7.308 -2.078 1.00 0.00 C ATOM 206 CG2 VAL A 8 -4.927 -8.016 0.298 1.00 0.00 C ATOM 0 H VAL A 8 -2.819 -8.235 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.373 -5.549 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.550 -6.086 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.292 -7.725 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.277 -6.453 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.595 -8.067 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.938 -8.424 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.226 -8.794 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.666 -7.660 1.295 1.00 0.00 H new ATOM 216 N ASN A 9 -2.718 -6.312 1.590 1.00 0.00 N ATOM 217 CA ASN A 9 -2.417 -5.753 2.903 1.00 0.00 C ATOM 218 C ASN A 9 -1.275 -4.745 2.816 1.00 0.00 C ATOM 219 O ASN A 9 -1.329 -3.678 3.426 1.00 0.00 O ATOM 220 CB ASN A 9 -2.054 -6.868 3.885 1.00 0.00 C ATOM 221 CG ASN A 9 -3.037 -8.022 3.839 1.00 0.00 C ATOM 222 OD1 ASN A 9 -2.912 -8.926 3.013 1.00 0.00 O ATOM 223 ND2 ASN A 9 -4.023 -7.995 4.728 1.00 0.00 N ATOM 0 H ASN A 9 -2.558 -7.316 1.513 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.307 -5.237 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.054 -7.237 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.022 -6.462 4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.716 -8.744 4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.088 -7.226 5.394 1.00 0.00 H new ATOM 230 N GLU A 10 -0.244 -5.092 2.052 1.00 0.00 N ATOM 231 CA GLU A 10 0.911 -4.217 1.886 1.00 0.00 C ATOM 232 C GLU A 10 0.538 -2.970 1.088 1.00 0.00 C ATOM 233 O GLU A 10 0.965 -1.861 1.413 1.00 0.00 O ATOM 234 CB GLU A 10 2.047 -4.964 1.184 1.00 0.00 C ATOM 235 CG GLU A 10 2.552 -6.170 1.958 1.00 0.00 C ATOM 236 CD GLU A 10 3.332 -7.137 1.088 1.00 0.00 C ATOM 237 OE1 GLU A 10 4.474 -6.802 0.707 1.00 0.00 O ATOM 238 OE2 GLU A 10 2.802 -8.226 0.788 1.00 0.00 O ATOM 0 H GLU A 10 -0.185 -5.972 1.539 1.00 0.00 H new ATOM 0 HA GLU A 10 1.246 -3.907 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.704 -5.291 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.876 -4.276 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.186 -5.832 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.705 -6.691 2.405 1.00 0.00 H new ATOM 245 N LEU A 11 -0.259 -3.160 0.043 1.00 0.00 N ATOM 246 CA LEU A 11 -0.690 -2.052 -0.803 1.00 0.00 C ATOM 247 C LEU A 11 -1.552 -1.070 -0.016 1.00 0.00 C ATOM 248 O LEU A 11 -1.372 0.144 -0.111 1.00 0.00 O ATOM 249 CB LEU A 11 -1.468 -2.578 -2.010 1.00 0.00 C ATOM 250 CG LEU A 11 -0.697 -3.502 -2.954 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.655 -4.247 -3.871 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.314 -2.708 -3.769 1.00 0.00 C ATOM 0 H LEU A 11 -0.620 -4.071 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 11 0.199 -1.527 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.345 -3.113 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.830 -1.725 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.156 -4.234 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.089 -4.900 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.341 -4.846 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.223 -3.530 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.854 -3.381 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.206 -1.954 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.020 -2.220 -3.097 1.00 0.00 H new ATOM 264 N ARG A 12 -2.488 -1.604 0.762 1.00 0.00 N ATOM 265 CA ARG A 12 -3.377 -0.775 1.566 1.00 0.00 C ATOM 266 C ARG A 12 -2.593 0.001 2.620 1.00 0.00 C ATOM 267 O ARG A 12 -2.845 1.183 2.849 1.00 0.00 O ATOM 268 CB ARG A 12 -4.443 -1.640 2.242 1.00 0.00 C ATOM 269 CG ARG A 12 -5.552 -2.085 1.303 1.00 0.00 C ATOM 270 CD ARG A 12 -6.669 -2.791 2.056 1.00 0.00 C ATOM 271 NE ARG A 12 -7.381 -1.887 2.955 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.185 -2.300 3.928 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.378 -3.597 4.127 1.00 0.00 N ATOM 274 NH2 ARG A 12 -8.798 -1.416 4.705 1.00 0.00 N ATOM 0 H ARG A 12 -2.650 -2.607 0.852 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.865 -0.061 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.966 -2.521 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.881 -1.081 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.956 -1.219 0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.143 -2.754 0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.372 -3.220 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.252 -3.619 2.630 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.254 -0.883 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.908 -4.280 3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.996 -3.912 4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.652 -0.418 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.415 -1.735 5.452 1.00 0.00 H new ATOM 288 N GLU A 13 -1.641 -0.674 3.258 1.00 0.00 N ATOM 289 CA GLU A 13 -0.822 -0.048 4.289 1.00 0.00 C ATOM 290 C GLU A 13 0.086 1.021 3.687 1.00 0.00 C ATOM 291 O GLU A 13 0.209 2.120 4.225 1.00 0.00 O ATOM 292 CB GLU A 13 0.021 -1.101 5.011 1.00 0.00 C ATOM 293 CG GLU A 13 -0.783 -1.989 5.945 1.00 0.00 C ATOM 294 CD GLU A 13 -1.466 -1.207 7.050 1.00 0.00 C ATOM 295 OE1 GLU A 13 -0.759 -0.720 7.957 1.00 0.00 O ATOM 296 OE2 GLU A 13 -2.708 -1.081 7.007 1.00 0.00 O ATOM 0 H GLU A 13 -1.419 -1.653 3.079 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.489 0.428 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.520 -1.725 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.802 -0.599 5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.535 -2.529 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.124 -2.736 6.388 1.00 0.00 H new ATOM 303 N GLU A 14 0.720 0.688 2.566 1.00 0.00 N ATOM 304 CA GLU A 14 1.618 1.619 1.892 1.00 0.00 C ATOM 305 C GLU A 14 0.861 2.855 1.415 1.00 0.00 C ATOM 306 O GLU A 14 1.319 3.985 1.593 1.00 0.00 O ATOM 307 CB GLU A 14 2.300 0.935 0.705 1.00 0.00 C ATOM 308 CG GLU A 14 3.457 0.034 1.104 1.00 0.00 C ATOM 309 CD GLU A 14 4.769 0.786 1.218 1.00 0.00 C ATOM 310 OE1 GLU A 14 5.263 1.278 0.183 1.00 0.00 O ATOM 311 OE2 GLU A 14 5.301 0.882 2.344 1.00 0.00 O ATOM 0 H GLU A 14 0.628 -0.218 2.106 1.00 0.00 H new ATOM 0 HA GLU A 14 2.378 1.933 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.561 0.345 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.665 1.698 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.230 -0.441 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.562 -0.763 0.368 1.00 0.00 H new ATOM 318 N LEU A 15 -0.299 2.633 0.807 1.00 0.00 N ATOM 319 CA LEU A 15 -1.120 3.728 0.303 1.00 0.00 C ATOM 320 C LEU A 15 -1.591 4.626 1.443 1.00 0.00 C ATOM 321 O LEU A 15 -1.654 5.846 1.299 1.00 0.00 O ATOM 322 CB LEU A 15 -2.327 3.178 -0.459 1.00 0.00 C ATOM 323 CG LEU A 15 -2.034 2.575 -1.834 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.204 1.723 -2.303 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.732 3.672 -2.844 1.00 0.00 C ATOM 0 H LEU A 15 -0.692 1.705 0.651 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.510 4.324 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.803 2.415 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.050 3.984 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.156 1.935 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.978 1.302 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.374 0.915 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.100 2.341 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.526 3.225 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.591 4.338 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.862 4.240 -2.515 1.00 0.00 H new ATOM 337 N GLN A 16 -1.918 4.012 2.576 1.00 0.00 N ATOM 338 CA GLN A 16 -2.382 4.756 3.741 1.00 0.00 C ATOM 339 C GLN A 16 -1.313 5.731 4.225 1.00 0.00 C ATOM 340 O GLN A 16 -1.623 6.830 4.683 1.00 0.00 O ATOM 341 CB GLN A 16 -2.761 3.795 4.869 1.00 0.00 C ATOM 342 CG GLN A 16 -4.203 3.320 4.804 1.00 0.00 C ATOM 343 CD GLN A 16 -4.757 2.950 6.166 1.00 0.00 C ATOM 344 OE1 GLN A 16 -5.433 3.751 6.812 1.00 0.00 O ATOM 345 NE2 GLN A 16 -4.474 1.731 6.610 1.00 0.00 N ATOM 0 H GLN A 16 -1.870 3.002 2.712 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.263 5.327 3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.100 2.929 4.835 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.592 4.287 5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.820 4.104 4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.268 2.456 4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.910 1.099 6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.821 1.426 7.520 1.00 0.00 H new ATOM 354 N ARG A 17 -0.053 5.320 4.120 1.00 0.00 N ATOM 355 CA ARG A 17 1.061 6.156 4.548 1.00 0.00 C ATOM 356 C ARG A 17 1.222 7.362 3.627 1.00 0.00 C ATOM 357 O ARG A 17 1.579 8.452 4.072 1.00 0.00 O ATOM 358 CB ARG A 17 2.357 5.343 4.572 1.00 0.00 C ATOM 359 CG ARG A 17 2.350 4.217 5.593 1.00 0.00 C ATOM 360 CD ARG A 17 3.676 3.473 5.611 1.00 0.00 C ATOM 361 NE ARG A 17 4.639 4.090 6.519 1.00 0.00 N ATOM 362 CZ ARG A 17 4.577 3.980 7.841 1.00 0.00 C ATOM 363 NH1 ARG A 17 3.604 3.279 8.406 1.00 0.00 N ATOM 364 NH2 ARG A 17 5.490 4.572 8.601 1.00 0.00 N ATOM 0 H ARG A 17 0.221 4.413 3.742 1.00 0.00 H new ATOM 0 HA ARG A 17 0.846 6.515 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.531 4.923 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.191 6.011 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.146 4.624 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.544 3.520 5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.507 2.439 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.092 3.449 4.604 1.00 0.00 H new ATOM 0 HE ARG A 17 5.401 4.635 6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.901 2.823 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.559 3.196 9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.240 5.112 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.441 4.487 9.616 1.00 0.00 H new ATOM 378 N ARG A 18 0.957 7.157 2.341 1.00 0.00 N ATOM 379 CA ARG A 18 1.074 8.226 1.357 1.00 0.00 C ATOM 380 C ARG A 18 -0.239 8.993 1.229 1.00 0.00 C ATOM 381 O ARG A 18 -0.474 9.680 0.236 1.00 0.00 O ATOM 382 CB ARG A 18 1.477 7.654 -0.003 1.00 0.00 C ATOM 383 CG ARG A 18 2.917 7.170 -0.058 1.00 0.00 C ATOM 384 CD ARG A 18 3.343 6.848 -1.481 1.00 0.00 C ATOM 385 NE ARG A 18 4.794 6.900 -1.644 1.00 0.00 N ATOM 386 CZ ARG A 18 5.624 6.002 -1.124 1.00 0.00 C ATOM 387 NH1 ARG A 18 5.149 4.989 -0.413 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.932 6.118 -1.316 1.00 0.00 N ATOM 0 H ARG A 18 0.660 6.260 1.956 1.00 0.00 H new ATOM 0 HA ARG A 18 1.846 8.916 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.814 6.825 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.330 8.418 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.575 7.934 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.028 6.283 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.983 5.855 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.876 7.554 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 18 5.191 7.667 -2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.144 4.897 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.788 4.301 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.300 6.896 -1.863 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.569 5.429 -0.917 1.00 0.00 H new ATOM 402 N GLY A 19 -1.092 8.870 2.242 1.00 0.00 N ATOM 403 CA GLY A 19 -2.370 9.556 2.223 1.00 0.00 C ATOM 404 C GLY A 19 -3.186 9.228 0.988 1.00 0.00 C ATOM 405 O GLY A 19 -4.066 9.995 0.595 1.00 0.00 O ATOM 0 H GLY A 19 -0.920 8.307 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.938 9.284 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.202 10.632 2.268 1.00 0.00 H new ATOM 409 N LEU A 20 -2.893 8.088 0.373 1.00 0.00 N ATOM 410 CA LEU A 20 -3.605 7.660 -0.826 1.00 0.00 C ATOM 411 C LEU A 20 -4.819 6.810 -0.465 1.00 0.00 C ATOM 412 O LEU A 20 -4.820 6.112 0.549 1.00 0.00 O ATOM 413 CB LEU A 20 -2.670 6.871 -1.744 1.00 0.00 C ATOM 414 CG LEU A 20 -1.439 7.622 -2.254 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.601 6.725 -3.152 1.00 0.00 C ATOM 416 CD2 LEU A 20 -1.854 8.884 -2.995 1.00 0.00 C ATOM 0 H LEU A 20 -2.167 7.443 0.685 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.952 8.551 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.333 5.983 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.244 6.527 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.832 7.911 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.270 7.276 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.274 5.851 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.198 6.405 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.966 9.406 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.483 8.617 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.412 9.535 -2.321 1.00 0.00 H new ATOM 428 N ASP A 21 -5.848 6.872 -1.302 1.00 0.00 N ATOM 429 CA ASP A 21 -7.067 6.105 -1.073 1.00 0.00 C ATOM 430 C ASP A 21 -6.785 4.607 -1.127 1.00 0.00 C ATOM 431 O ASP A 21 -5.983 4.144 -1.939 1.00 0.00 O ATOM 432 CB ASP A 21 -8.130 6.475 -2.110 1.00 0.00 C ATOM 433 CG ASP A 21 -9.539 6.330 -1.571 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.740 5.513 -0.648 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.442 7.032 -2.073 1.00 0.00 O ATOM 0 H ASP A 21 -5.863 7.445 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.440 6.350 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.973 7.503 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.013 5.840 -2.988 1.00 0.00 H new ATOM 440 N THR A 22 -7.449 3.853 -0.257 1.00 0.00 N ATOM 441 CA THR A 22 -7.269 2.408 -0.204 1.00 0.00 C ATOM 442 C THR A 22 -8.466 1.682 -0.807 1.00 0.00 C ATOM 443 O THR A 22 -8.849 0.607 -0.344 1.00 0.00 O ATOM 444 CB THR A 22 -7.062 1.920 1.243 1.00 0.00 C ATOM 445 OG1 THR A 22 -8.206 2.249 2.039 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.817 2.547 1.852 1.00 0.00 C ATOM 0 H THR A 22 -8.117 4.220 0.421 1.00 0.00 H new ATOM 0 HA THR A 22 -6.377 2.179 -0.788 1.00 0.00 H new ATOM 0 HB THR A 22 -6.932 0.838 1.224 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.068 1.934 2.957 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.691 2.188 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.944 2.271 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.922 3.632 1.859 1.00 0.00 H new ATOM 454 N ARG A 23 -9.051 2.274 -1.842 1.00 0.00 N ATOM 455 CA ARG A 23 -10.205 1.683 -2.508 1.00 0.00 C ATOM 456 C ARG A 23 -9.797 1.026 -3.824 1.00 0.00 C ATOM 457 O ARG A 23 -8.703 1.264 -4.334 1.00 0.00 O ATOM 458 CB ARG A 23 -11.273 2.748 -2.767 1.00 0.00 C ATOM 459 CG ARG A 23 -11.837 3.366 -1.498 1.00 0.00 C ATOM 460 CD ARG A 23 -12.676 2.366 -0.718 1.00 0.00 C ATOM 461 NE ARG A 23 -13.576 3.025 0.224 1.00 0.00 N ATOM 462 CZ ARG A 23 -13.177 3.552 1.376 1.00 0.00 C ATOM 463 NH1 ARG A 23 -11.900 3.499 1.727 1.00 0.00 N ATOM 464 NH2 ARG A 23 -14.057 4.136 2.181 1.00 0.00 N ATOM 0 H ARG A 23 -8.745 3.163 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.617 0.917 -1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.845 3.537 -3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.088 2.302 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.020 3.724 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.446 4.233 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.258 1.761 -1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.019 1.686 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.566 3.084 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.220 3.052 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.597 3.905 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.041 4.180 1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.749 4.540 3.065 1.00 0.00 H new ATOM 478 N GLY A 24 -10.684 0.199 -4.368 1.00 0.00 N ATOM 479 CA GLY A 24 -10.398 -0.479 -5.618 1.00 0.00 C ATOM 480 C GLY A 24 -9.858 -1.880 -5.408 1.00 0.00 C ATOM 481 O GLY A 24 -9.440 -2.233 -4.304 1.00 0.00 O ATOM 0 H GLY A 24 -11.596 -0.014 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.308 -0.530 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.674 0.105 -6.187 1.00 0.00 H new ATOM 485 N LEU A 25 -9.866 -2.681 -6.467 1.00 0.00 N ATOM 486 CA LEU A 25 -9.375 -4.052 -6.393 1.00 0.00 C ATOM 487 C LEU A 25 -7.892 -4.081 -6.037 1.00 0.00 C ATOM 488 O LEU A 25 -7.228 -3.045 -6.013 1.00 0.00 O ATOM 489 CB LEU A 25 -9.606 -4.770 -7.724 1.00 0.00 C ATOM 490 CG LEU A 25 -11.060 -5.095 -8.069 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.235 -5.231 -9.573 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.504 -6.367 -7.361 1.00 0.00 C ATOM 0 H LEU A 25 -10.207 -2.405 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.928 -4.568 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.193 -4.154 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.039 -5.701 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.687 -4.273 -7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.276 -5.462 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.958 -4.295 -10.058 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.597 -6.034 -9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.541 -6.583 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.872 -7.198 -7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.418 -6.232 -6.283 1.00 0.00 H new ATOM 504 N LYS A 26 -7.378 -5.276 -5.764 1.00 0.00 N ATOM 505 CA LYS A 26 -5.973 -5.442 -5.413 1.00 0.00 C ATOM 506 C LYS A 26 -5.069 -4.870 -6.500 1.00 0.00 C ATOM 507 O LYS A 26 -4.187 -4.057 -6.224 1.00 0.00 O ATOM 508 CB LYS A 26 -5.652 -6.922 -5.194 1.00 0.00 C ATOM 509 CG LYS A 26 -4.172 -7.201 -4.996 1.00 0.00 C ATOM 510 CD LYS A 26 -3.468 -7.446 -6.320 1.00 0.00 C ATOM 511 CE LYS A 26 -2.070 -8.008 -6.113 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.153 -7.638 -7.226 1.00 0.00 N ATOM 0 H LYS A 26 -7.914 -6.144 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.789 -4.896 -4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.200 -7.279 -4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.009 -7.493 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.707 -6.357 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.048 -8.071 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.055 -8.140 -6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.407 -6.512 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.666 -7.638 -5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.123 -9.094 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.211 -8.040 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.525 -8.013 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.082 -6.602 -7.287 1.00 0.00 H new ATOM 526 N ALA A 27 -5.295 -5.299 -7.738 1.00 0.00 N ATOM 527 CA ALA A 27 -4.503 -4.827 -8.867 1.00 0.00 C ATOM 528 C ALA A 27 -4.584 -3.310 -8.998 1.00 0.00 C ATOM 529 O ALA A 27 -3.588 -2.650 -9.290 1.00 0.00 O ATOM 530 CB ALA A 27 -4.966 -5.496 -10.152 1.00 0.00 C ATOM 0 H ALA A 27 -6.020 -5.973 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.462 -5.094 -8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.366 -5.134 -10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.849 -6.576 -10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.015 -5.258 -10.329 1.00 0.00 H new ATOM 536 N GLU A 28 -5.777 -2.765 -8.781 1.00 0.00 N ATOM 537 CA GLU A 28 -5.987 -1.325 -8.877 1.00 0.00 C ATOM 538 C GLU A 28 -5.153 -0.583 -7.838 1.00 0.00 C ATOM 539 O GLU A 28 -4.530 0.437 -8.137 1.00 0.00 O ATOM 540 CB GLU A 28 -7.469 -0.990 -8.692 1.00 0.00 C ATOM 541 CG GLU A 28 -8.322 -1.313 -9.907 1.00 0.00 C ATOM 542 CD GLU A 28 -7.938 -0.494 -11.124 1.00 0.00 C ATOM 543 OE1 GLU A 28 -7.483 0.655 -10.946 1.00 0.00 O ATOM 544 OE2 GLU A 28 -8.093 -1.002 -12.255 1.00 0.00 O ATOM 0 H GLU A 28 -6.612 -3.298 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.670 -1.003 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.853 -1.540 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.567 0.071 -8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.226 -2.373 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.370 -1.133 -9.669 1.00 0.00 H new ATOM 551 N LEU A 29 -5.145 -1.101 -6.614 1.00 0.00 N ATOM 552 CA LEU A 29 -4.388 -0.489 -5.529 1.00 0.00 C ATOM 553 C LEU A 29 -2.898 -0.460 -5.852 1.00 0.00 C ATOM 554 O LEU A 29 -2.194 0.485 -5.499 1.00 0.00 O ATOM 555 CB LEU A 29 -4.624 -1.250 -4.223 1.00 0.00 C ATOM 556 CG LEU A 29 -6.010 -1.097 -3.597 1.00 0.00 C ATOM 557 CD1 LEU A 29 -6.183 -2.067 -2.439 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.231 0.335 -3.134 1.00 0.00 C ATOM 0 H LEU A 29 -5.655 -1.944 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.735 0.538 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.445 -2.310 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.881 -0.922 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.758 -1.332 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.176 -1.943 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.070 -3.089 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.428 -1.865 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.223 0.425 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.477 0.598 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.152 1.009 -3.987 1.00 0.00 H new ATOM 570 N ALA A 30 -2.424 -1.502 -6.528 1.00 0.00 N ATOM 571 CA ALA A 30 -1.019 -1.594 -6.903 1.00 0.00 C ATOM 572 C ALA A 30 -0.635 -0.482 -7.874 1.00 0.00 C ATOM 573 O ALA A 30 0.413 0.145 -7.729 1.00 0.00 O ATOM 574 CB ALA A 30 -0.724 -2.956 -7.515 1.00 0.00 C ATOM 0 H ALA A 30 -2.993 -2.294 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.420 -1.475 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.329 -3.011 -7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.950 -3.738 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.339 -3.097 -8.404 1.00 0.00 H new ATOM 580 N GLU A 31 -1.492 -0.244 -8.862 1.00 0.00 N ATOM 581 CA GLU A 31 -1.240 0.792 -9.857 1.00 0.00 C ATOM 582 C GLU A 31 -1.190 2.171 -9.206 1.00 0.00 C ATOM 583 O GLU A 31 -0.373 3.014 -9.575 1.00 0.00 O ATOM 584 CB GLU A 31 -2.323 0.766 -10.938 1.00 0.00 C ATOM 585 CG GLU A 31 -2.376 -0.539 -11.715 1.00 0.00 C ATOM 586 CD GLU A 31 -3.122 -0.407 -13.028 1.00 0.00 C ATOM 587 OE1 GLU A 31 -2.935 0.618 -13.717 1.00 0.00 O ATOM 588 OE2 GLU A 31 -3.894 -1.328 -13.367 1.00 0.00 O ATOM 0 H GLU A 31 -2.366 -0.754 -8.995 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.272 0.591 -10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.293 0.942 -10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.150 1.587 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.360 -0.882 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.857 -1.302 -11.103 1.00 0.00 H new ATOM 595 N ARG A 32 -2.070 2.392 -8.235 1.00 0.00 N ATOM 596 CA ARG A 32 -2.128 3.669 -7.533 1.00 0.00 C ATOM 597 C ARG A 32 -0.833 3.928 -6.767 1.00 0.00 C ATOM 598 O ARG A 32 -0.279 5.026 -6.818 1.00 0.00 O ATOM 599 CB ARG A 32 -3.316 3.692 -6.569 1.00 0.00 C ATOM 600 CG ARG A 32 -3.391 4.954 -5.725 1.00 0.00 C ATOM 601 CD ARG A 32 -4.666 4.995 -4.897 1.00 0.00 C ATOM 602 NE ARG A 32 -5.097 6.363 -4.622 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.487 7.214 -5.565 1.00 0.00 C ATOM 604 NH1 ARG A 32 -5.500 6.839 -6.837 1.00 0.00 N ATOM 605 NH2 ARG A 32 -5.865 8.442 -5.236 1.00 0.00 N ATOM 0 H ARG A 32 -2.752 1.704 -7.916 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.255 4.457 -8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.239 3.592 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.254 2.827 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.525 5.003 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.348 5.830 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.458 4.465 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.504 4.470 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.099 6.683 -3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.210 5.895 -7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.800 7.494 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.856 8.734 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.164 9.095 -5.960 1.00 0.00 H new ATOM 619 N LEU A 33 -0.358 2.910 -6.059 1.00 0.00 N ATOM 620 CA LEU A 33 0.871 3.026 -5.282 1.00 0.00 C ATOM 621 C LEU A 33 2.068 3.282 -6.192 1.00 0.00 C ATOM 622 O LEU A 33 2.897 4.148 -5.913 1.00 0.00 O ATOM 623 CB LEU A 33 1.102 1.756 -4.462 1.00 0.00 C ATOM 624 CG LEU A 33 2.468 1.633 -3.785 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.655 2.737 -2.757 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.619 0.265 -3.135 1.00 0.00 C ATOM 0 H LEU A 33 -0.805 1.995 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 33 0.765 3.873 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.331 1.699 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.964 0.895 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 33 3.241 1.739 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.632 2.633 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.591 3.707 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.876 2.663 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.597 0.195 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.839 0.130 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.530 -0.511 -3.895 1.00 0.00 H new ATOM 638 N GLN A 34 2.150 2.525 -7.281 1.00 0.00 N ATOM 639 CA GLN A 34 3.245 2.671 -8.232 1.00 0.00 C ATOM 640 C GLN A 34 3.244 4.064 -8.853 1.00 0.00 C ATOM 641 O GLN A 34 4.300 4.661 -9.062 1.00 0.00 O ATOM 642 CB GLN A 34 3.140 1.611 -9.330 1.00 0.00 C ATOM 643 CG GLN A 34 4.411 1.456 -10.150 1.00 0.00 C ATOM 644 CD GLN A 34 5.591 0.998 -9.317 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.862 -0.198 -9.208 1.00 0.00 O ATOM 646 NE2 GLN A 34 6.301 1.950 -8.722 1.00 0.00 N ATOM 0 H GLN A 34 1.471 1.804 -7.527 1.00 0.00 H new ATOM 0 HA GLN A 34 4.182 2.534 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.892 0.652 -8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.317 1.870 -9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.236 0.738 -10.951 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.652 2.408 -10.622 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.041 2.929 -8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.107 1.702 -8.148 1.00 0.00 H new ATOM 655 N ALA A 35 2.053 4.576 -9.145 1.00 0.00 N ATOM 656 CA ALA A 35 1.916 5.899 -9.740 1.00 0.00 C ATOM 657 C ALA A 35 2.533 6.970 -8.847 1.00 0.00 C ATOM 658 O ALA A 35 3.221 7.870 -9.326 1.00 0.00 O ATOM 659 CB ALA A 35 0.450 6.210 -10.003 1.00 0.00 C ATOM 0 H ALA A 35 1.169 4.094 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 35 2.453 5.900 -10.689 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.362 7.201 -10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.038 5.468 -10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.102 6.184 -9.063 1.00 0.00 H new ATOM 665 N ALA A 36 2.282 6.865 -7.546 1.00 0.00 N ATOM 666 CA ALA A 36 2.815 7.824 -6.586 1.00 0.00 C ATOM 667 C ALA A 36 4.337 7.748 -6.520 1.00 0.00 C ATOM 668 O ALA A 36 5.015 8.768 -6.400 1.00 0.00 O ATOM 669 CB ALA A 36 2.213 7.583 -5.209 1.00 0.00 C ATOM 0 H ALA A 36 1.713 6.126 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 36 2.541 8.825 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.620 8.306 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.130 7.696 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.457 6.574 -4.877 1.00 0.00 H new ATOM 675 N LEU A 37 4.867 6.532 -6.599 1.00 0.00 N ATOM 676 CA LEU A 37 6.310 6.322 -6.548 1.00 0.00 C ATOM 677 C LEU A 37 6.991 6.920 -7.775 1.00 0.00 C ATOM 678 O LEU A 37 8.118 7.408 -7.696 1.00 0.00 O ATOM 679 CB LEU A 37 6.625 4.828 -6.454 1.00 0.00 C ATOM 680 CG LEU A 37 6.403 4.181 -5.086 1.00 0.00 C ATOM 681 CD1 LEU A 37 6.511 2.668 -5.188 1.00 0.00 C ATOM 682 CD2 LEU A 37 7.401 4.722 -4.072 1.00 0.00 C ATOM 0 H LEU A 37 4.320 5.677 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 37 6.694 6.825 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.014 4.301 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.666 4.678 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 37 5.398 4.431 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.350 2.225 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.757 2.295 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.503 2.398 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.228 4.251 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.415 4.503 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.275 5.801 -3.978 1.00 0.00 H new