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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= 0.0745 F(o=-1.1,f=0.074) 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= -0.26 K(o=-0.26,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 3 6.136 -4.021 -6.681 1.00 0.00 N ATOM 96 CA VAL A 3 4.939 -3.671 -5.926 1.00 0.00 C ATOM 97 C VAL A 3 3.912 -4.797 -5.971 1.00 0.00 C ATOM 98 O VAL A 3 3.104 -4.951 -5.055 1.00 0.00 O ATOM 99 CB VAL A 3 4.293 -2.380 -6.464 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.007 -2.507 -7.953 1.00 0.00 C ATOM 101 CG2 VAL A 3 3.021 -2.060 -5.693 1.00 0.00 C ATOM 0 HA VAL A 3 5.252 -3.509 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 3 4.993 -1.557 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.551 -1.586 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.939 -2.686 -8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.326 -3.341 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.578 -1.145 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.313 -2.882 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.259 -1.924 -4.638 1.00 0.00 H new ATOM 111 N ARG A 4 3.949 -5.582 -7.043 1.00 0.00 N ATOM 112 CA ARG A 4 3.021 -6.694 -7.208 1.00 0.00 C ATOM 113 C ARG A 4 3.211 -7.730 -6.104 1.00 0.00 C ATOM 114 O ARG A 4 2.248 -8.154 -5.465 1.00 0.00 O ATOM 115 CB ARG A 4 3.216 -7.350 -8.576 1.00 0.00 C ATOM 116 CG ARG A 4 2.867 -6.441 -9.743 1.00 0.00 C ATOM 117 CD ARG A 4 2.829 -7.208 -11.055 1.00 0.00 C ATOM 118 NE ARG A 4 4.141 -7.266 -11.694 1.00 0.00 N ATOM 119 CZ ARG A 4 4.720 -6.224 -12.280 1.00 0.00 C ATOM 120 NH1 ARG A 4 4.106 -5.050 -12.308 1.00 0.00 N ATOM 121 NH2 ARG A 4 5.916 -6.356 -12.840 1.00 0.00 N ATOM 0 H ARG A 4 4.612 -5.468 -7.810 1.00 0.00 H new ATOM 0 HA ARG A 4 2.007 -6.300 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.254 -7.668 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.601 -8.248 -8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.898 -5.974 -9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.600 -5.637 -9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.470 -8.221 -10.872 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.117 -6.734 -11.731 1.00 0.00 H new ATOM 0 HE ARG A 4 4.640 -8.156 -11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.187 -4.945 -11.879 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.553 -4.251 -12.759 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.391 -7.258 -12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.360 -5.555 -13.290 1.00 0.00 H new ATOM 135 N ARG A 5 4.459 -8.132 -5.886 1.00 0.00 N ATOM 136 CA ARG A 5 4.775 -9.119 -4.860 1.00 0.00 C ATOM 137 C ARG A 5 4.119 -8.753 -3.532 1.00 0.00 C ATOM 138 O ARG A 5 3.802 -9.625 -2.722 1.00 0.00 O ATOM 139 CB ARG A 5 6.290 -9.231 -4.679 1.00 0.00 C ATOM 140 CG ARG A 5 7.021 -9.689 -5.931 1.00 0.00 C ATOM 141 CD ARG A 5 6.654 -11.118 -6.298 1.00 0.00 C ATOM 142 NE ARG A 5 7.736 -11.795 -7.009 1.00 0.00 N ATOM 143 CZ ARG A 5 7.763 -13.104 -7.231 1.00 0.00 C ATOM 144 NH1 ARG A 5 6.773 -13.874 -6.800 1.00 0.00 N ATOM 145 NH2 ARG A 5 8.782 -13.646 -7.886 1.00 0.00 N ATOM 0 H ARG A 5 5.267 -7.790 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 5 4.383 -10.082 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.683 -8.262 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.500 -9.930 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.776 -9.025 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.097 -9.618 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.411 -11.674 -5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.758 -11.114 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 5 8.513 -11.231 -7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.988 -13.461 -6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.797 -14.879 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.545 -13.057 -8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.802 -14.652 -8.056 1.00 0.00 H new ATOM 159 N LEU A 6 3.918 -7.457 -3.315 1.00 0.00 N ATOM 160 CA LEU A 6 3.301 -6.974 -2.085 1.00 0.00 C ATOM 161 C LEU A 6 1.825 -7.357 -2.030 1.00 0.00 C ATOM 162 O LEU A 6 1.031 -6.933 -2.870 1.00 0.00 O ATOM 163 CB LEU A 6 3.449 -5.456 -1.979 1.00 0.00 C ATOM 164 CG LEU A 6 4.881 -4.926 -1.899 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.923 -3.446 -2.248 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.462 -5.165 -0.513 1.00 0.00 C ATOM 0 H LEU A 6 4.173 -6.723 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 6 3.811 -7.442 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.963 -5.002 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.908 -5.119 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 6 5.489 -5.467 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.950 -3.086 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.548 -3.300 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.301 -2.889 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.482 -4.781 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.853 -4.651 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.468 -6.234 -0.301 1.00 0.00 H new ATOM 178 N LYS A 7 1.464 -8.160 -1.035 1.00 0.00 N ATOM 179 CA LYS A 7 0.084 -8.598 -0.867 1.00 0.00 C ATOM 180 C LYS A 7 -0.863 -7.404 -0.808 1.00 0.00 C ATOM 181 O LYS A 7 -0.429 -6.262 -0.659 1.00 0.00 O ATOM 182 CB LYS A 7 -0.056 -9.436 0.407 1.00 0.00 C ATOM 183 CG LYS A 7 0.242 -10.911 0.201 1.00 0.00 C ATOM 184 CD LYS A 7 -0.157 -11.735 1.413 1.00 0.00 C ATOM 185 CE LYS A 7 0.618 -13.042 1.478 1.00 0.00 C ATOM 186 NZ LYS A 7 0.080 -14.054 0.528 1.00 0.00 N ATOM 0 H LYS A 7 2.109 -8.521 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.183 -9.210 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.617 -9.041 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.070 -9.329 0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.293 -11.272 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.306 -11.044 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.022 -11.159 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.226 -11.946 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.667 -12.853 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.577 -13.438 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.635 -14.930 0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.914 -14.253 0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.143 -13.687 -0.443 1.00 0.00 H new ATOM 200 N VAL A 8 -2.159 -7.675 -0.926 1.00 0.00 N ATOM 201 CA VAL A 8 -3.167 -6.623 -0.884 1.00 0.00 C ATOM 202 C VAL A 8 -3.045 -5.795 0.390 1.00 0.00 C ATOM 203 O VAL A 8 -3.180 -4.573 0.363 1.00 0.00 O ATOM 204 CB VAL A 8 -4.590 -7.206 -0.971 1.00 0.00 C ATOM 205 CG1 VAL A 8 -4.749 -8.043 -2.230 1.00 0.00 C ATOM 206 CG2 VAL A 8 -4.905 -8.028 0.270 1.00 0.00 C ATOM 0 H VAL A 8 -2.535 -8.615 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.992 -5.982 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.300 -6.380 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.761 -8.446 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.569 -7.420 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.032 -8.864 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.914 -8.432 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.191 -8.847 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.836 -7.394 1.154 1.00 0.00 H new ATOM 216 N ASN A 9 -2.788 -6.470 1.505 1.00 0.00 N ATOM 217 CA ASN A 9 -2.647 -5.797 2.791 1.00 0.00 C ATOM 218 C ASN A 9 -1.448 -4.854 2.783 1.00 0.00 C ATOM 219 O ASN A 9 -1.518 -3.741 3.305 1.00 0.00 O ATOM 220 CB ASN A 9 -2.494 -6.825 3.915 1.00 0.00 C ATOM 221 CG ASN A 9 -3.565 -7.897 3.867 1.00 0.00 C ATOM 222 OD1 ASN A 9 -3.340 -8.922 3.053 1.00 0.00 O flip ATOM 223 ND2 ASN A 9 -4.582 -7.805 4.555 1.00 0.00 N flip ATOM 0 H ASN A 9 -2.673 -7.483 1.544 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.548 -5.209 2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.512 -7.293 3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.536 -6.316 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.713 -6.999 5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.294 -8.535 4.513 1.00 0.00 H new ATOM 230 N GLU A 10 -0.350 -5.306 2.186 1.00 0.00 N ATOM 231 CA GLU A 10 0.864 -4.502 2.110 1.00 0.00 C ATOM 232 C GLU A 10 0.636 -3.250 1.268 1.00 0.00 C ATOM 233 O GLU A 10 1.066 -2.155 1.633 1.00 0.00 O ATOM 234 CB GLU A 10 2.012 -5.325 1.521 1.00 0.00 C ATOM 235 CG GLU A 10 2.458 -6.472 2.412 1.00 0.00 C ATOM 236 CD GLU A 10 3.819 -7.017 2.022 1.00 0.00 C ATOM 237 OE1 GLU A 10 3.889 -7.798 1.051 1.00 0.00 O ATOM 238 OE2 GLU A 10 4.813 -6.663 2.690 1.00 0.00 O ATOM 0 H GLU A 10 -0.276 -6.224 1.748 1.00 0.00 H new ATOM 0 HA GLU A 10 1.129 -4.195 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.703 -5.725 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.862 -4.668 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.490 -6.132 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.721 -7.274 2.362 1.00 0.00 H new ATOM 245 N LEU A 11 -0.043 -3.421 0.139 1.00 0.00 N ATOM 246 CA LEU A 11 -0.329 -2.306 -0.758 1.00 0.00 C ATOM 247 C LEU A 11 -1.190 -1.256 -0.063 1.00 0.00 C ATOM 248 O LEU A 11 -0.970 -0.055 -0.222 1.00 0.00 O ATOM 249 CB LEU A 11 -1.034 -2.807 -2.019 1.00 0.00 C ATOM 250 CG LEU A 11 -0.225 -3.749 -2.911 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.143 -4.515 -3.851 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.819 -2.971 -3.699 1.00 0.00 C ATOM 0 H LEU A 11 -0.406 -4.320 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 11 0.618 -1.845 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.949 -3.318 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.331 -1.943 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 11 0.290 -4.468 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.549 -5.180 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.852 -5.103 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.687 -3.812 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.386 -3.657 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.324 -2.229 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.496 -2.469 -3.008 1.00 0.00 H new ATOM 264 N ARG A 12 -2.169 -1.717 0.708 1.00 0.00 N ATOM 265 CA ARG A 12 -3.062 -0.817 1.428 1.00 0.00 C ATOM 266 C ARG A 12 -2.294 -0.004 2.466 1.00 0.00 C ATOM 267 O ARG A 12 -2.573 1.177 2.673 1.00 0.00 O ATOM 268 CB ARG A 12 -4.178 -1.610 2.110 1.00 0.00 C ATOM 269 CG ARG A 12 -5.289 -2.036 1.164 1.00 0.00 C ATOM 270 CD ARG A 12 -6.021 -3.264 1.681 1.00 0.00 C ATOM 271 NE ARG A 12 -6.614 -4.045 0.598 1.00 0.00 N ATOM 272 CZ ARG A 12 -7.573 -4.945 0.781 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.047 -5.176 1.997 1.00 0.00 N ATOM 274 NH2 ARG A 12 -8.062 -5.615 -0.255 1.00 0.00 N ATOM 0 H ARG A 12 -2.364 -2.708 0.850 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.503 -0.129 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.749 -2.497 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.605 -1.005 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.996 -1.216 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.869 -2.248 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.327 -3.890 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.803 -2.955 2.375 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.273 -3.890 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.675 -4.662 2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.784 -5.868 2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.701 -5.439 -1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.799 -6.306 -0.114 1.00 0.00 H new ATOM 288 N GLU A 13 -1.327 -0.644 3.115 1.00 0.00 N ATOM 289 CA GLU A 13 -0.520 0.020 4.132 1.00 0.00 C ATOM 290 C GLU A 13 0.309 1.145 3.519 1.00 0.00 C ATOM 291 O GLU A 13 0.379 2.246 4.065 1.00 0.00 O ATOM 292 CB GLU A 13 0.400 -0.988 4.824 1.00 0.00 C ATOM 293 CG GLU A 13 -0.328 -1.922 5.776 1.00 0.00 C ATOM 294 CD GLU A 13 0.605 -2.578 6.776 1.00 0.00 C ATOM 295 OE1 GLU A 13 1.728 -2.956 6.381 1.00 0.00 O ATOM 296 OE2 GLU A 13 0.212 -2.714 7.953 1.00 0.00 O ATOM 0 H GLU A 13 -1.083 -1.621 2.955 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.195 0.451 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.911 -1.581 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.168 -0.447 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.095 -1.363 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.840 -2.694 5.201 1.00 0.00 H new ATOM 303 N GLU A 14 0.936 0.859 2.382 1.00 0.00 N ATOM 304 CA GLU A 14 1.761 1.846 1.696 1.00 0.00 C ATOM 305 C GLU A 14 0.909 2.999 1.174 1.00 0.00 C ATOM 306 O GLU A 14 1.299 4.165 1.265 1.00 0.00 O ATOM 307 CB GLU A 14 2.520 1.193 0.539 1.00 0.00 C ATOM 308 CG GLU A 14 3.443 0.068 0.975 1.00 0.00 C ATOM 309 CD GLU A 14 4.629 0.564 1.778 1.00 0.00 C ATOM 310 OE1 GLU A 14 5.226 1.588 1.385 1.00 0.00 O ATOM 311 OE2 GLU A 14 4.961 -0.072 2.801 1.00 0.00 O ATOM 0 H GLU A 14 0.888 -0.048 1.917 1.00 0.00 H new ATOM 0 HA GLU A 14 2.479 2.244 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.801 0.803 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.107 1.954 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.879 -0.649 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.802 -0.464 0.094 1.00 0.00 H new ATOM 318 N LEU A 15 -0.254 2.667 0.627 1.00 0.00 N ATOM 319 CA LEU A 15 -1.163 3.674 0.089 1.00 0.00 C ATOM 320 C LEU A 15 -1.696 4.574 1.198 1.00 0.00 C ATOM 321 O LEU A 15 -1.842 5.782 1.014 1.00 0.00 O ATOM 322 CB LEU A 15 -2.326 3.001 -0.642 1.00 0.00 C ATOM 323 CG LEU A 15 -2.038 2.522 -2.065 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.151 1.610 -2.557 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.863 3.708 -3.002 1.00 0.00 C ATOM 0 H LEU A 15 -0.591 1.708 0.544 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.607 4.290 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.653 2.145 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.160 3.702 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.108 1.953 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.929 1.279 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.228 0.743 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.096 2.153 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.659 3.348 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.775 4.305 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.030 4.322 -2.660 1.00 0.00 H new ATOM 337 N GLN A 16 -1.984 3.977 2.351 1.00 0.00 N ATOM 338 CA GLN A 16 -2.500 4.726 3.490 1.00 0.00 C ATOM 339 C GLN A 16 -1.455 5.703 4.018 1.00 0.00 C ATOM 340 O GLN A 16 -1.781 6.820 4.420 1.00 0.00 O ATOM 341 CB GLN A 16 -2.929 3.770 4.604 1.00 0.00 C ATOM 342 CG GLN A 16 -4.377 3.319 4.494 1.00 0.00 C ATOM 343 CD GLN A 16 -4.960 2.898 5.829 1.00 0.00 C ATOM 344 OE1 GLN A 16 -4.500 1.935 6.444 1.00 0.00 O ATOM 345 NE2 GLN A 16 -5.978 3.618 6.284 1.00 0.00 N ATOM 0 H GLN A 16 -1.869 2.978 2.520 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.367 5.295 3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.282 2.893 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.781 4.258 5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.976 4.130 4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.442 2.486 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.327 4.408 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.411 3.381 7.177 1.00 0.00 H new ATOM 354 N ARG A 17 -0.196 5.275 4.014 1.00 0.00 N ATOM 355 CA ARG A 17 0.897 6.112 4.494 1.00 0.00 C ATOM 356 C ARG A 17 1.049 7.358 3.626 1.00 0.00 C ATOM 357 O ARG A 17 1.335 8.445 4.129 1.00 0.00 O ATOM 358 CB ARG A 17 2.206 5.321 4.503 1.00 0.00 C ATOM 359 CG ARG A 17 3.411 6.143 4.932 1.00 0.00 C ATOM 360 CD ARG A 17 4.657 5.281 5.058 1.00 0.00 C ATOM 361 NE ARG A 17 5.767 6.009 5.667 1.00 0.00 N ATOM 362 CZ ARG A 17 6.798 5.416 6.259 1.00 0.00 C ATOM 363 NH1 ARG A 17 6.860 4.093 6.321 1.00 0.00 N ATOM 364 NH2 ARG A 17 7.770 6.147 6.790 1.00 0.00 N ATOM 0 H ARG A 17 0.092 4.354 3.684 1.00 0.00 H new ATOM 0 HA ARG A 17 0.662 6.425 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.101 4.468 5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.386 4.921 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.588 6.937 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.203 6.625 5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.429 4.400 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.954 4.927 4.071 1.00 0.00 H new ATOM 0 HE ARG A 17 5.750 7.028 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.115 3.528 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.653 3.640 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.726 7.165 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.561 5.691 7.244 1.00 0.00 H new ATOM 378 N ARG A 18 0.857 7.192 2.322 1.00 0.00 N ATOM 379 CA ARG A 18 0.974 8.302 1.384 1.00 0.00 C ATOM 380 C ARG A 18 -0.349 9.051 1.261 1.00 0.00 C ATOM 381 O ARG A 18 -0.601 9.727 0.264 1.00 0.00 O ATOM 382 CB ARG A 18 1.415 7.793 0.011 1.00 0.00 C ATOM 383 CG ARG A 18 2.842 7.270 -0.016 1.00 0.00 C ATOM 384 CD ARG A 18 3.353 7.118 -1.440 1.00 0.00 C ATOM 385 NE ARG A 18 4.803 7.267 -1.520 1.00 0.00 N ATOM 386 CZ ARG A 18 5.661 6.338 -1.114 1.00 0.00 C ATOM 387 NH1 ARG A 18 5.216 5.198 -0.604 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.967 6.547 -1.220 1.00 0.00 N ATOM 0 H ARG A 18 0.620 6.299 1.890 1.00 0.00 H new ATOM 0 HA ARG A 18 1.727 8.991 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.740 6.998 -0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.320 8.601 -0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.491 7.952 0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.887 6.307 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.067 6.139 -1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.876 7.863 -2.078 1.00 0.00 H new ATOM 0 HE ARG A 18 5.178 8.132 -1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.213 5.033 -0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.877 4.486 -0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.313 7.422 -1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.625 5.833 -0.908 1.00 0.00 H new ATOM 402 N GLY A 19 -1.193 8.926 2.281 1.00 0.00 N ATOM 403 CA GLY A 19 -2.480 9.596 2.267 1.00 0.00 C ATOM 404 C GLY A 19 -3.280 9.287 1.017 1.00 0.00 C ATOM 405 O GLY A 19 -4.122 10.083 0.597 1.00 0.00 O ATOM 0 H GLY A 19 -1.008 8.372 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.052 9.295 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.327 10.673 2.340 1.00 0.00 H new ATOM 409 N LEU A 20 -3.016 8.131 0.418 1.00 0.00 N ATOM 410 CA LEU A 20 -3.717 7.719 -0.793 1.00 0.00 C ATOM 411 C LEU A 20 -4.913 6.834 -0.457 1.00 0.00 C ATOM 412 O LEU A 20 -4.900 6.109 0.538 1.00 0.00 O ATOM 413 CB LEU A 20 -2.764 6.975 -1.729 1.00 0.00 C ATOM 414 CG LEU A 20 -1.596 7.790 -2.285 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.689 6.912 -3.135 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.108 8.972 -3.095 1.00 0.00 C ATOM 0 H LEU A 20 -2.322 7.462 0.751 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.082 8.615 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.359 6.116 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.341 6.586 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.015 8.174 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.137 7.509 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.294 6.099 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.259 6.498 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.263 9.541 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.713 8.609 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.715 9.614 -2.457 1.00 0.00 H new ATOM 428 N ASP A 21 -5.943 6.897 -1.293 1.00 0.00 N ATOM 429 CA ASP A 21 -7.146 6.098 -1.086 1.00 0.00 C ATOM 430 C ASP A 21 -6.831 4.609 -1.180 1.00 0.00 C ATOM 431 O ASP A 21 -6.004 4.187 -1.989 1.00 0.00 O ATOM 432 CB ASP A 21 -8.215 6.473 -2.113 1.00 0.00 C ATOM 433 CG ASP A 21 -9.622 6.281 -1.580 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.924 6.820 -0.495 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.421 5.594 -2.250 1.00 0.00 O ATOM 0 H ASP A 21 -5.970 7.493 -2.120 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.525 6.308 -0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.081 7.513 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.083 5.866 -3.009 1.00 0.00 H new ATOM 440 N THR A 22 -7.497 3.815 -0.347 1.00 0.00 N ATOM 441 CA THR A 22 -7.288 2.372 -0.335 1.00 0.00 C ATOM 442 C THR A 22 -8.511 1.635 -0.867 1.00 0.00 C ATOM 443 O THR A 22 -8.813 0.522 -0.435 1.00 0.00 O ATOM 444 CB THR A 22 -6.973 1.863 1.085 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.931 2.379 2.015 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.572 2.276 1.509 1.00 0.00 C ATOM 0 H THR A 22 -8.186 4.147 0.328 1.00 0.00 H new ATOM 0 HA THR A 22 -6.436 2.170 -0.984 1.00 0.00 H new ATOM 0 HB THR A 22 -7.027 0.774 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.724 2.049 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.372 1.906 2.514 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.843 1.856 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.495 3.363 1.501 1.00 0.00 H new ATOM 454 N ARG A 23 -9.211 2.261 -1.808 1.00 0.00 N ATOM 455 CA ARG A 23 -10.402 1.663 -2.399 1.00 0.00 C ATOM 456 C ARG A 23 -10.079 1.032 -3.751 1.00 0.00 C ATOM 457 O ARG A 23 -9.124 1.425 -4.419 1.00 0.00 O ATOM 458 CB ARG A 23 -11.499 2.716 -2.564 1.00 0.00 C ATOM 459 CG ARG A 23 -12.146 3.132 -1.253 1.00 0.00 C ATOM 460 CD ARG A 23 -13.200 2.129 -0.810 1.00 0.00 C ATOM 461 NE ARG A 23 -13.943 2.596 0.357 1.00 0.00 N ATOM 462 CZ ARG A 23 -14.977 1.945 0.879 1.00 0.00 C ATOM 463 NH1 ARG A 23 -15.388 0.806 0.340 1.00 0.00 N ATOM 464 NH2 ARG A 23 -15.602 2.434 1.942 1.00 0.00 N ATOM 0 H ARG A 23 -8.974 3.182 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.757 0.881 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.076 3.597 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.268 2.326 -3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.382 3.223 -0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.603 4.115 -1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.893 1.945 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.721 1.178 -0.578 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.652 3.470 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.910 0.427 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.182 0.308 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.289 3.310 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.396 1.934 2.342 1.00 0.00 H new ATOM 478 N GLY A 24 -10.884 0.050 -4.146 1.00 0.00 N ATOM 479 CA GLY A 24 -10.668 -0.620 -5.415 1.00 0.00 C ATOM 480 C GLY A 24 -10.030 -1.985 -5.249 1.00 0.00 C ATOM 481 O GLY A 24 -9.630 -2.362 -4.147 1.00 0.00 O ATOM 0 H GLY A 24 -11.681 -0.293 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.621 -0.729 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.032 0.001 -6.046 1.00 0.00 H new ATOM 485 N LEU A 25 -9.936 -2.730 -6.345 1.00 0.00 N ATOM 486 CA LEU A 25 -9.344 -4.063 -6.316 1.00 0.00 C ATOM 487 C LEU A 25 -7.834 -3.984 -6.114 1.00 0.00 C ATOM 488 O LEU A 25 -7.259 -2.896 -6.065 1.00 0.00 O ATOM 489 CB LEU A 25 -9.657 -4.810 -7.614 1.00 0.00 C ATOM 490 CG LEU A 25 -11.083 -5.345 -7.752 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.365 -5.747 -9.192 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.303 -6.524 -6.815 1.00 0.00 C ATOM 0 H LEU A 25 -10.262 -2.434 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.777 -4.607 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.458 -4.142 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.965 -5.648 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.777 -4.551 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.384 -6.125 -9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.248 -4.879 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.665 -6.525 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.323 -6.892 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.601 -7.321 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.143 -6.205 -5.785 1.00 0.00 H new ATOM 504 N LYS A 26 -7.196 -5.143 -5.999 1.00 0.00 N ATOM 505 CA LYS A 26 -5.752 -5.207 -5.805 1.00 0.00 C ATOM 506 C LYS A 26 -5.021 -4.467 -6.920 1.00 0.00 C ATOM 507 O LYS A 26 -4.157 -3.630 -6.660 1.00 0.00 O ATOM 508 CB LYS A 26 -5.288 -6.665 -5.755 1.00 0.00 C ATOM 509 CG LYS A 26 -3.807 -6.821 -5.456 1.00 0.00 C ATOM 510 CD LYS A 26 -3.338 -8.247 -5.690 1.00 0.00 C ATOM 511 CE LYS A 26 -1.825 -8.322 -5.822 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.373 -9.669 -6.266 1.00 0.00 N ATOM 0 H LYS A 26 -7.656 -6.052 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.515 -4.724 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.862 -7.194 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.510 -7.141 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.234 -6.141 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.612 -6.538 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.664 -8.878 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.803 -8.640 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.485 -7.571 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.365 -8.082 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.336 -9.679 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.675 -10.383 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.792 -9.888 -7.192 1.00 0.00 H new ATOM 526 N ALA A 27 -5.373 -4.781 -8.163 1.00 0.00 N ATOM 527 CA ALA A 27 -4.752 -4.144 -9.317 1.00 0.00 C ATOM 528 C ALA A 27 -4.865 -2.625 -9.232 1.00 0.00 C ATOM 529 O ALA A 27 -3.908 -1.906 -9.517 1.00 0.00 O ATOM 530 CB ALA A 27 -5.386 -4.651 -10.604 1.00 0.00 C ATOM 0 H ALA A 27 -6.085 -5.473 -8.396 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.693 -4.404 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.913 -4.167 -11.458 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.249 -5.730 -10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.451 -4.420 -10.600 1.00 0.00 H new ATOM 536 N GLU A 28 -6.041 -2.145 -8.839 1.00 0.00 N ATOM 537 CA GLU A 28 -6.278 -0.711 -8.719 1.00 0.00 C ATOM 538 C GLU A 28 -5.342 -0.090 -7.686 1.00 0.00 C ATOM 539 O GLU A 28 -4.797 0.994 -7.898 1.00 0.00 O ATOM 540 CB GLU A 28 -7.733 -0.443 -8.331 1.00 0.00 C ATOM 541 CG GLU A 28 -8.739 -0.966 -9.343 1.00 0.00 C ATOM 542 CD GLU A 28 -8.706 -0.197 -10.649 1.00 0.00 C ATOM 543 OE1 GLU A 28 -9.153 0.970 -10.661 1.00 0.00 O ATOM 544 OE2 GLU A 28 -8.235 -0.761 -11.659 1.00 0.00 O ATOM 0 H GLU A 28 -6.843 -2.727 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.078 -0.253 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.932 -0.902 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.876 0.631 -8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.536 -2.019 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.741 -0.909 -8.917 1.00 0.00 H new ATOM 551 N LEU A 29 -5.160 -0.784 -6.568 1.00 0.00 N ATOM 552 CA LEU A 29 -4.291 -0.301 -5.500 1.00 0.00 C ATOM 553 C LEU A 29 -2.830 -0.323 -5.936 1.00 0.00 C ATOM 554 O LEU A 29 -2.071 0.602 -5.647 1.00 0.00 O ATOM 555 CB LEU A 29 -4.473 -1.154 -4.243 1.00 0.00 C ATOM 556 CG LEU A 29 -5.872 -1.148 -3.625 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.989 -2.228 -2.560 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.190 0.219 -3.038 1.00 0.00 C ATOM 0 H LEU A 29 -5.602 -1.683 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.569 0.729 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.209 -2.183 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.763 -0.812 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.597 -1.361 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.991 -2.209 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.805 -3.204 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.255 -2.046 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.189 0.205 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.461 0.462 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.148 0.972 -3.825 1.00 0.00 H new ATOM 570 N ALA A 30 -2.442 -1.385 -6.636 1.00 0.00 N ATOM 571 CA ALA A 30 -1.073 -1.525 -7.116 1.00 0.00 C ATOM 572 C ALA A 30 -0.690 -0.366 -8.028 1.00 0.00 C ATOM 573 O ALA A 30 0.390 0.210 -7.895 1.00 0.00 O ATOM 574 CB ALA A 30 -0.902 -2.851 -7.843 1.00 0.00 C ATOM 0 H ALA A 30 -3.057 -2.160 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.408 -1.508 -6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.125 -2.942 -8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.126 -3.671 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.583 -2.890 -8.693 1.00 0.00 H new ATOM 580 N GLU A 31 -1.581 -0.029 -8.956 1.00 0.00 N ATOM 581 CA GLU A 31 -1.333 1.062 -9.891 1.00 0.00 C ATOM 582 C GLU A 31 -1.274 2.401 -9.162 1.00 0.00 C ATOM 583 O GLU A 31 -0.401 3.228 -9.429 1.00 0.00 O ATOM 584 CB GLU A 31 -2.423 1.100 -10.964 1.00 0.00 C ATOM 585 CG GLU A 31 -2.478 -0.153 -11.821 1.00 0.00 C ATOM 586 CD GLU A 31 -1.153 -0.461 -12.491 1.00 0.00 C ATOM 587 OE1 GLU A 31 -0.716 0.347 -13.338 1.00 0.00 O ATOM 588 OE2 GLU A 31 -0.554 -1.508 -12.170 1.00 0.00 O ATOM 0 H GLU A 31 -2.480 -0.495 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.369 0.886 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.390 1.243 -10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.257 1.963 -11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.773 -1.000 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.247 -0.033 -12.584 1.00 0.00 H new ATOM 595 N ARG A 32 -2.210 2.609 -8.241 1.00 0.00 N ATOM 596 CA ARG A 32 -2.266 3.848 -7.475 1.00 0.00 C ATOM 597 C ARG A 32 -0.944 4.103 -6.757 1.00 0.00 C ATOM 598 O ARG A 32 -0.386 5.199 -6.832 1.00 0.00 O ATOM 599 CB ARG A 32 -3.408 3.792 -6.459 1.00 0.00 C ATOM 600 CG ARG A 32 -3.659 5.114 -5.752 1.00 0.00 C ATOM 601 CD ARG A 32 -4.864 5.032 -4.828 1.00 0.00 C ATOM 602 NE ARG A 32 -5.415 6.351 -4.528 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.982 7.135 -5.438 1.00 0.00 C ATOM 604 NH1 ARG A 32 -6.072 6.735 -6.699 1.00 0.00 N ATOM 605 NH2 ARG A 32 -6.460 8.322 -5.088 1.00 0.00 N ATOM 0 H ARG A 32 -2.939 1.935 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.446 4.668 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.321 3.483 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.184 3.028 -5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.776 5.393 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.819 5.899 -6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.634 4.414 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.576 4.540 -3.899 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.361 6.689 -3.567 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.705 5.823 -6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.508 7.339 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.392 8.634 -4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.895 8.923 -5.788 1.00 0.00 H new ATOM 619 N LEU A 33 -0.449 3.086 -6.061 1.00 0.00 N ATOM 620 CA LEU A 33 0.808 3.200 -5.328 1.00 0.00 C ATOM 621 C LEU A 33 1.979 3.400 -6.285 1.00 0.00 C ATOM 622 O LEU A 33 2.853 4.233 -6.045 1.00 0.00 O ATOM 623 CB LEU A 33 1.038 1.952 -4.475 1.00 0.00 C ATOM 624 CG LEU A 33 2.453 1.767 -3.925 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.792 2.873 -2.939 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.595 0.402 -3.268 1.00 0.00 C ATOM 0 H LEU A 33 -0.898 2.173 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 33 0.743 4.071 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.344 1.977 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.784 1.076 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 33 3.155 1.823 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.803 2.724 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.732 3.839 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.085 2.850 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.608 0.287 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.883 0.317 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.396 -0.378 -4.003 1.00 0.00 H new ATOM 638 N GLN A 34 1.989 2.631 -7.369 1.00 0.00 N ATOM 639 CA GLN A 34 3.053 2.725 -8.362 1.00 0.00 C ATOM 640 C GLN A 34 3.127 4.131 -8.949 1.00 0.00 C ATOM 641 O GLN A 34 4.210 4.694 -9.100 1.00 0.00 O ATOM 642 CB GLN A 34 2.828 1.705 -9.479 1.00 0.00 C ATOM 643 CG GLN A 34 4.042 1.501 -10.371 1.00 0.00 C ATOM 644 CD GLN A 34 5.297 1.177 -9.584 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.283 0.323 -8.697 1.00 0.00 O ATOM 646 NE2 GLN A 34 6.390 1.858 -9.905 1.00 0.00 N ATOM 0 H GLN A 34 1.273 1.936 -7.582 1.00 0.00 H new ATOM 0 HA GLN A 34 3.999 2.508 -7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.549 0.749 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.987 2.030 -10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.840 0.693 -11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.210 2.402 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.356 2.557 -10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.264 1.682 -9.410 1.00 0.00 H new ATOM 655 N ALA A 35 1.968 4.692 -9.277 1.00 0.00 N ATOM 656 CA ALA A 35 1.901 6.032 -9.846 1.00 0.00 C ATOM 657 C ALA A 35 2.569 7.051 -8.929 1.00 0.00 C ATOM 658 O ALA A 35 3.287 7.938 -9.389 1.00 0.00 O ATOM 659 CB ALA A 35 0.454 6.423 -10.109 1.00 0.00 C ATOM 0 H ALA A 35 1.062 4.239 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 35 2.441 6.025 -10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.420 7.426 -10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.008 5.717 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.103 6.406 -9.172 1.00 0.00 H new ATOM 665 N ALA A 36 2.326 6.918 -7.629 1.00 0.00 N ATOM 666 CA ALA A 36 2.904 7.827 -6.647 1.00 0.00 C ATOM 667 C ALA A 36 4.418 7.661 -6.570 1.00 0.00 C ATOM 668 O ALA A 36 5.155 8.639 -6.440 1.00 0.00 O ATOM 669 CB ALA A 36 2.276 7.597 -5.281 1.00 0.00 C ATOM 0 H ALA A 36 1.733 6.190 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 36 2.692 8.848 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.717 8.283 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.202 7.773 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.458 6.570 -4.965 1.00 0.00 H new ATOM 675 N LEU A 37 4.876 6.416 -6.650 1.00 0.00 N ATOM 676 CA LEU A 37 6.304 6.121 -6.589 1.00 0.00 C ATOM 677 C LEU A 37 7.043 6.763 -7.758 1.00 0.00 C ATOM 678 O LEU A 37 8.104 7.363 -7.581 1.00 0.00 O ATOM 679 CB LEU A 37 6.533 4.609 -6.594 1.00 0.00 C ATOM 680 CG LEU A 37 6.189 3.873 -5.298 1.00 0.00 C ATOM 681 CD1 LEU A 37 5.994 2.389 -5.563 1.00 0.00 C ATOM 682 CD2 LEU A 37 7.275 4.093 -4.256 1.00 0.00 C ATOM 0 H LEU A 37 4.280 5.595 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 37 6.697 6.538 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.944 4.175 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.581 4.421 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 37 5.254 4.277 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.750 1.882 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.180 2.250 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.912 1.969 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.014 3.562 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.225 3.716 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.366 5.158 -4.044 1.00 0.00 H new