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= -0.227 X(o=-0.23,f=-0.43) USER MOD Single : A 16 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.2!) 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= -1.13 K(o=-1.1,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 3 6.229 -3.959 -6.474 1.00 0.00 N ATOM 96 CA VAL A 3 4.952 -3.487 -5.952 1.00 0.00 C ATOM 97 C VAL A 3 3.858 -4.529 -6.152 1.00 0.00 C ATOM 98 O VAL A 3 2.970 -4.679 -5.313 1.00 0.00 O ATOM 99 CB VAL A 3 4.522 -2.171 -6.628 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.379 -2.363 -8.130 1.00 0.00 C ATOM 101 CG2 VAL A 3 3.224 -1.660 -6.021 1.00 0.00 C ATOM 0 HA VAL A 3 5.091 -3.311 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 3 5.296 -1.424 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.075 -1.423 -8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.334 -2.679 -8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.625 -3.125 -8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.935 -0.730 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.439 -2.403 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.367 -1.480 -4.955 1.00 0.00 H new ATOM 111 N ARG A 4 3.928 -5.246 -7.268 1.00 0.00 N ATOM 112 CA ARG A 4 2.943 -6.275 -7.579 1.00 0.00 C ATOM 113 C ARG A 4 3.049 -7.443 -6.602 1.00 0.00 C ATOM 114 O ARG A 4 2.043 -8.043 -6.225 1.00 0.00 O ATOM 115 CB ARG A 4 3.131 -6.776 -9.012 1.00 0.00 C ATOM 116 CG ARG A 4 4.512 -7.352 -9.279 1.00 0.00 C ATOM 117 CD ARG A 4 4.904 -7.205 -10.741 1.00 0.00 C ATOM 118 NE ARG A 4 4.288 -8.230 -11.579 1.00 0.00 N ATOM 119 CZ ARG A 4 4.741 -9.475 -11.670 1.00 0.00 C ATOM 120 NH1 ARG A 4 5.809 -9.847 -10.978 1.00 0.00 N ATOM 121 NH2 ARG A 4 4.126 -10.350 -12.454 1.00 0.00 N ATOM 0 H ARG A 4 4.657 -5.133 -7.973 1.00 0.00 H new ATOM 0 HA ARG A 4 1.951 -5.833 -7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.381 -7.539 -9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.950 -5.952 -9.703 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.246 -6.846 -8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.528 -8.406 -9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.608 -6.219 -11.098 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.988 -7.265 -10.833 1.00 0.00 H new ATOM 0 HE ARG A 4 3.464 -7.976 -12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.284 -9.176 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.155 -10.804 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.304 -10.067 -12.988 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.475 -11.306 -12.523 1.00 0.00 H new ATOM 135 N ARG A 5 4.275 -7.759 -6.198 1.00 0.00 N ATOM 136 CA ARG A 5 4.513 -8.856 -5.267 1.00 0.00 C ATOM 137 C ARG A 5 3.906 -8.550 -3.900 1.00 0.00 C ATOM 138 O ARG A 5 3.560 -9.460 -3.145 1.00 0.00 O ATOM 139 CB ARG A 5 6.014 -9.115 -5.124 1.00 0.00 C ATOM 140 CG ARG A 5 6.354 -10.563 -4.812 1.00 0.00 C ATOM 141 CD ARG A 5 6.391 -10.816 -3.313 1.00 0.00 C ATOM 142 NE ARG A 5 7.673 -10.438 -2.725 1.00 0.00 N ATOM 143 CZ ARG A 5 8.756 -11.205 -2.768 1.00 0.00 C ATOM 144 NH1 ARG A 5 8.713 -12.386 -3.369 1.00 0.00 N ATOM 145 NH2 ARG A 5 9.886 -10.791 -2.210 1.00 0.00 N ATOM 0 H ARG A 5 5.118 -7.271 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 5 4.034 -9.750 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.514 -8.824 -6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.410 -8.479 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.617 -11.219 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.321 -10.813 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.591 -10.254 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.200 -11.872 -3.119 1.00 0.00 H new ATOM 0 HE ARG A 5 7.740 -9.535 -2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.846 -12.708 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.547 -12.973 -3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.923 -9.883 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.717 -11.381 -2.244 1.00 0.00 H new ATOM 159 N LEU A 6 3.781 -7.265 -3.589 1.00 0.00 N ATOM 160 CA LEU A 6 3.217 -6.838 -2.313 1.00 0.00 C ATOM 161 C LEU A 6 1.757 -7.263 -2.194 1.00 0.00 C ATOM 162 O LEU A 6 0.931 -6.931 -3.044 1.00 0.00 O ATOM 163 CB LEU A 6 3.332 -5.320 -2.163 1.00 0.00 C ATOM 164 CG LEU A 6 4.752 -4.752 -2.159 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.726 -3.250 -2.394 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.453 -5.077 -0.848 1.00 0.00 C ATOM 0 H LEU A 6 4.062 -6.500 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 6 3.783 -7.319 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.777 -4.852 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.843 -5.029 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 6 5.311 -5.217 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.745 -2.863 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.264 -3.041 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.150 -2.768 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.462 -4.665 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.895 -4.641 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.504 -6.158 -0.721 1.00 0.00 H new ATOM 178 N LYS A 7 1.445 -7.998 -1.132 1.00 0.00 N ATOM 179 CA LYS A 7 0.084 -8.466 -0.898 1.00 0.00 C ATOM 180 C LYS A 7 -0.888 -7.293 -0.812 1.00 0.00 C ATOM 181 O LYS A 7 -0.475 -6.138 -0.705 1.00 0.00 O ATOM 182 CB LYS A 7 0.020 -9.290 0.390 1.00 0.00 C ATOM 183 CG LYS A 7 0.625 -10.677 0.255 1.00 0.00 C ATOM 184 CD LYS A 7 2.143 -10.630 0.307 1.00 0.00 C ATOM 185 CE LYS A 7 2.738 -12.020 0.472 1.00 0.00 C ATOM 186 NZ LYS A 7 2.855 -12.407 1.905 1.00 0.00 N ATOM 0 H LYS A 7 2.117 -8.283 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.206 -9.095 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.540 -8.751 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.021 -9.385 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.252 -11.317 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.306 -11.124 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.526 -10.175 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.460 -9.996 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.115 -12.746 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.723 -12.051 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.265 -13.360 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.470 -11.729 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.912 -12.402 2.344 1.00 0.00 H new ATOM 200 N VAL A 8 -2.181 -7.597 -0.858 1.00 0.00 N ATOM 201 CA VAL A 8 -3.211 -6.568 -0.782 1.00 0.00 C ATOM 202 C VAL A 8 -3.073 -5.744 0.493 1.00 0.00 C ATOM 203 O VAL A 8 -3.268 -4.530 0.484 1.00 0.00 O ATOM 204 CB VAL A 8 -4.623 -7.182 -0.833 1.00 0.00 C ATOM 205 CG1 VAL A 8 -4.862 -7.862 -2.172 1.00 0.00 C ATOM 206 CG2 VAL A 8 -4.819 -8.162 0.314 1.00 0.00 C ATOM 0 H VAL A 8 -2.540 -8.547 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.073 -5.919 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.353 -6.380 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.864 -8.290 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.766 -7.130 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.127 -8.654 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.822 -8.586 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.082 -8.962 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.694 -7.641 1.263 1.00 0.00 H new ATOM 216 N ASN A 9 -2.734 -6.414 1.590 1.00 0.00 N ATOM 217 CA ASN A 9 -2.570 -5.744 2.875 1.00 0.00 C ATOM 218 C ASN A 9 -1.379 -4.791 2.843 1.00 0.00 C ATOM 219 O ASN A 9 -1.444 -3.683 3.374 1.00 0.00 O ATOM 220 CB ASN A 9 -2.382 -6.774 3.991 1.00 0.00 C ATOM 221 CG ASN A 9 -3.248 -8.004 3.793 1.00 0.00 C ATOM 222 OD1 ASN A 9 -2.797 -9.013 3.250 1.00 0.00 O ATOM 223 ND2 ASN A 9 -4.498 -7.925 4.235 1.00 0.00 N ATOM 0 H ASN A 9 -2.568 -7.420 1.615 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.472 -5.165 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.335 -7.073 4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.621 -6.315 4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.127 -8.721 4.131 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.829 -7.068 4.679 1.00 0.00 H new ATOM 230 N GLU A 10 -0.292 -5.231 2.215 1.00 0.00 N ATOM 231 CA GLU A 10 0.913 -4.417 2.114 1.00 0.00 C ATOM 232 C GLU A 10 0.650 -3.154 1.299 1.00 0.00 C ATOM 233 O GLU A 10 1.067 -2.059 1.678 1.00 0.00 O ATOM 234 CB GLU A 10 2.047 -5.222 1.475 1.00 0.00 C ATOM 235 CG GLU A 10 2.396 -6.490 2.236 1.00 0.00 C ATOM 236 CD GLU A 10 3.785 -7.003 1.908 1.00 0.00 C ATOM 237 OE1 GLU A 10 3.955 -7.608 0.829 1.00 0.00 O ATOM 238 OE2 GLU A 10 4.702 -6.800 2.731 1.00 0.00 O ATOM 0 H GLU A 10 -0.222 -6.146 1.769 1.00 0.00 H new ATOM 0 HA GLU A 10 1.208 -4.124 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.765 -5.486 0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.935 -4.593 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.327 -6.297 3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.663 -7.262 2.003 1.00 0.00 H new ATOM 245 N LEU A 11 -0.044 -3.315 0.178 1.00 0.00 N ATOM 246 CA LEU A 11 -0.364 -2.188 -0.692 1.00 0.00 C ATOM 247 C LEU A 11 -1.283 -1.198 0.015 1.00 0.00 C ATOM 248 O LEU A 11 -1.120 0.016 -0.114 1.00 0.00 O ATOM 249 CB LEU A 11 -1.024 -2.685 -1.980 1.00 0.00 C ATOM 250 CG LEU A 11 -0.178 -3.610 -2.855 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.045 -4.302 -3.895 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.944 -2.830 -3.526 1.00 0.00 C ATOM 0 H LEU A 11 -0.396 -4.214 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 11 0.566 -1.677 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.943 -3.209 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.312 -1.818 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 11 0.268 -4.374 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.425 -4.956 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.812 -4.893 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.520 -3.553 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.536 -3.504 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.518 -2.044 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.582 -2.382 -2.764 1.00 0.00 H new ATOM 264 N ARG A 12 -2.247 -1.723 0.763 1.00 0.00 N ATOM 265 CA ARG A 12 -3.192 -0.885 1.492 1.00 0.00 C ATOM 266 C ARG A 12 -2.483 -0.091 2.585 1.00 0.00 C ATOM 267 O ARG A 12 -2.793 1.077 2.817 1.00 0.00 O ATOM 268 CB ARG A 12 -4.299 -1.743 2.106 1.00 0.00 C ATOM 269 CG ARG A 12 -5.329 -2.222 1.097 1.00 0.00 C ATOM 270 CD ARG A 12 -6.592 -2.719 1.783 1.00 0.00 C ATOM 271 NE ARG A 12 -7.382 -1.623 2.337 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.543 -1.794 2.958 1.00 0.00 C ATOM 273 NH1 ARG A 12 -9.048 -3.011 3.104 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.203 -0.746 3.435 1.00 0.00 N ATOM 0 H ARG A 12 -2.395 -2.725 0.881 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.636 -0.183 0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.849 -2.609 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.804 -1.168 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.579 -1.408 0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.903 -3.023 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.197 -3.277 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.323 -3.411 2.581 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.022 -0.673 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.544 -3.819 2.739 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.940 -3.139 3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.818 0.192 3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.095 -0.879 3.912 1.00 0.00 H new ATOM 288 N GLU A 13 -1.530 -0.734 3.253 1.00 0.00 N ATOM 289 CA GLU A 13 -0.779 -0.088 4.323 1.00 0.00 C ATOM 290 C GLU A 13 0.085 1.044 3.774 1.00 0.00 C ATOM 291 O GLU A 13 0.129 2.135 4.340 1.00 0.00 O ATOM 292 CB GLU A 13 0.099 -1.109 5.049 1.00 0.00 C ATOM 293 CG GLU A 13 -0.681 -2.050 5.951 1.00 0.00 C ATOM 294 CD GLU A 13 0.200 -3.101 6.599 1.00 0.00 C ATOM 295 OE1 GLU A 13 1.306 -3.353 6.077 1.00 0.00 O ATOM 296 OE2 GLU A 13 -0.217 -3.670 7.630 1.00 0.00 O ATOM 0 H GLU A 13 -1.260 -1.701 3.072 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.493 0.333 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.645 -1.696 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.841 -0.578 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.181 -1.471 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.460 -2.543 5.369 1.00 0.00 H new ATOM 303 N GLU A 14 0.772 0.773 2.668 1.00 0.00 N ATOM 304 CA GLU A 14 1.636 1.767 2.043 1.00 0.00 C ATOM 305 C GLU A 14 0.822 2.954 1.536 1.00 0.00 C ATOM 306 O GLU A 14 1.158 4.110 1.797 1.00 0.00 O ATOM 307 CB GLU A 14 2.420 1.141 0.888 1.00 0.00 C ATOM 308 CG GLU A 14 3.440 0.107 1.334 1.00 0.00 C ATOM 309 CD GLU A 14 4.484 0.685 2.271 1.00 0.00 C ATOM 310 OE1 GLU A 14 4.875 1.855 2.076 1.00 0.00 O ATOM 311 OE2 GLU A 14 4.910 -0.034 3.199 1.00 0.00 O ATOM 0 H GLU A 14 0.747 -0.126 2.187 1.00 0.00 H new ATOM 0 HA GLU A 14 2.338 2.125 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.720 0.673 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.932 1.930 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.925 -0.715 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.935 -0.311 0.458 1.00 0.00 H new ATOM 318 N LEU A 15 -0.250 2.660 0.808 1.00 0.00 N ATOM 319 CA LEU A 15 -1.114 3.702 0.263 1.00 0.00 C ATOM 320 C LEU A 15 -1.620 4.623 1.368 1.00 0.00 C ATOM 321 O LEU A 15 -1.735 5.833 1.175 1.00 0.00 O ATOM 322 CB LEU A 15 -2.297 3.075 -0.477 1.00 0.00 C ATOM 323 CG LEU A 15 -2.005 2.540 -1.879 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.152 1.669 -2.368 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.755 3.688 -2.847 1.00 0.00 C ATOM 0 H LEU A 15 -0.542 1.709 0.582 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.528 4.296 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.686 2.256 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.089 3.820 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.105 1.927 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.926 1.297 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.284 0.827 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.069 2.258 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.549 3.288 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.637 4.327 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.900 4.272 -2.506 1.00 0.00 H new ATOM 337 N GLN A 16 -1.920 4.042 2.525 1.00 0.00 N ATOM 338 CA GLN A 16 -2.412 4.812 3.661 1.00 0.00 C ATOM 339 C GLN A 16 -1.355 5.795 4.152 1.00 0.00 C ATOM 340 O GLN A 16 -1.673 6.915 4.553 1.00 0.00 O ATOM 341 CB GLN A 16 -2.823 3.876 4.799 1.00 0.00 C ATOM 342 CG GLN A 16 -3.711 4.538 5.840 1.00 0.00 C ATOM 343 CD GLN A 16 -3.554 3.922 7.217 1.00 0.00 C ATOM 344 OE1 GLN A 16 -2.462 3.503 7.602 1.00 0.00 O ATOM 345 NE2 GLN A 16 -4.648 3.864 7.968 1.00 0.00 N ATOM 0 H GLN A 16 -1.831 3.041 2.700 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.284 5.378 3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.347 3.017 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.926 3.496 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.473 5.601 5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.752 4.459 5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.533 4.223 7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.603 3.460 8.904 1.00 0.00 H new ATOM 354 N ARG A 17 -0.096 5.369 4.117 1.00 0.00 N ATOM 355 CA ARG A 17 1.008 6.212 4.560 1.00 0.00 C ATOM 356 C ARG A 17 1.226 7.374 3.596 1.00 0.00 C ATOM 357 O ARG A 17 1.760 8.416 3.975 1.00 0.00 O ATOM 358 CB ARG A 17 2.291 5.387 4.680 1.00 0.00 C ATOM 359 CG ARG A 17 2.228 4.315 5.756 1.00 0.00 C ATOM 360 CD ARG A 17 3.617 3.839 6.150 1.00 0.00 C ATOM 361 NE ARG A 17 4.425 4.917 6.714 1.00 0.00 N ATOM 362 CZ ARG A 17 5.545 4.714 7.400 1.00 0.00 C ATOM 363 NH1 ARG A 17 5.987 3.481 7.605 1.00 0.00 N ATOM 364 NH2 ARG A 17 6.226 5.746 7.881 1.00 0.00 N ATOM 0 H ARG A 17 0.184 4.446 3.787 1.00 0.00 H new ATOM 0 HA ARG A 17 0.752 6.618 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.500 4.915 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.124 6.056 4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.715 4.708 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.641 3.470 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.531 3.032 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.121 3.428 5.275 1.00 0.00 H new ATOM 0 HE ARG A 17 4.113 5.878 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.467 2.685 7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.847 3.329 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.890 6.696 7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.085 5.589 8.407 1.00 0.00 H new ATOM 378 N ARG A 18 0.809 7.186 2.348 1.00 0.00 N ATOM 379 CA ARG A 18 0.961 8.218 1.329 1.00 0.00 C ATOM 380 C ARG A 18 -0.324 9.028 1.180 1.00 0.00 C ATOM 381 O ARG A 18 -0.489 9.779 0.220 1.00 0.00 O ATOM 382 CB ARG A 18 1.337 7.588 -0.013 1.00 0.00 C ATOM 383 CG ARG A 18 2.725 6.969 -0.027 1.00 0.00 C ATOM 384 CD ARG A 18 3.258 6.827 -1.444 1.00 0.00 C ATOM 385 NE ARG A 18 4.717 6.871 -1.487 1.00 0.00 N ATOM 386 CZ ARG A 18 5.496 5.905 -1.011 1.00 0.00 C ATOM 387 NH1 ARG A 18 4.958 4.826 -0.460 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.816 6.018 -1.087 1.00 0.00 N ATOM 0 H ARG A 18 0.364 6.330 2.018 1.00 0.00 H new ATOM 0 HA ARG A 18 1.760 8.890 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.604 6.821 -0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.280 8.349 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.406 7.587 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.693 5.990 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.911 5.885 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.853 7.626 -2.065 1.00 0.00 H new ATOM 0 HE ARG A 18 5.163 7.688 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.944 4.736 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.558 4.086 -0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.233 6.847 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.413 5.276 -0.721 1.00 0.00 H new ATOM 402 N GLY A 19 -1.233 8.867 2.137 1.00 0.00 N ATOM 403 CA GLY A 19 -2.492 9.589 2.093 1.00 0.00 C ATOM 404 C GLY A 19 -3.273 9.315 0.824 1.00 0.00 C ATOM 405 O GLY A 19 -4.018 10.172 0.347 1.00 0.00 O ATOM 0 H GLY A 19 -1.120 8.250 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.097 9.311 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.297 10.658 2.172 1.00 0.00 H new ATOM 409 N LEU A 20 -3.103 8.118 0.273 1.00 0.00 N ATOM 410 CA LEU A 20 -3.798 7.733 -0.951 1.00 0.00 C ATOM 411 C LEU A 20 -4.988 6.831 -0.641 1.00 0.00 C ATOM 412 O LEU A 20 -4.972 6.077 0.332 1.00 0.00 O ATOM 413 CB LEU A 20 -2.837 7.019 -1.903 1.00 0.00 C ATOM 414 CG LEU A 20 -1.648 7.844 -2.400 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.715 6.983 -3.237 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.130 9.045 -3.200 1.00 0.00 C ATOM 0 H LEU A 20 -2.490 7.397 0.654 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.168 8.640 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.453 6.131 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.403 6.676 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.095 8.208 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.125 7.586 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.343 6.155 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.257 6.589 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.271 9.620 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.707 8.702 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.758 9.674 -2.569 1.00 0.00 H new ATOM 428 N ASP A 21 -6.018 6.912 -1.476 1.00 0.00 N ATOM 429 CA ASP A 21 -7.216 6.101 -1.293 1.00 0.00 C ATOM 430 C ASP A 21 -6.866 4.617 -1.249 1.00 0.00 C ATOM 431 O ASP A 21 -6.031 4.141 -2.020 1.00 0.00 O ATOM 432 CB ASP A 21 -8.216 6.368 -2.420 1.00 0.00 C ATOM 433 CG ASP A 21 -9.651 6.142 -1.986 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.938 5.064 -1.427 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.486 7.044 -2.206 1.00 0.00 O ATOM 0 H ASP A 21 -6.047 7.531 -2.286 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.670 6.378 -0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.102 7.395 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.988 5.718 -3.265 1.00 0.00 H new ATOM 440 N THR A 22 -7.508 3.888 -0.341 1.00 0.00 N ATOM 441 CA THR A 22 -7.263 2.459 -0.195 1.00 0.00 C ATOM 442 C THR A 22 -8.465 1.645 -0.658 1.00 0.00 C ATOM 443 O THR A 22 -8.724 0.556 -0.146 1.00 0.00 O ATOM 444 CB THR A 22 -6.940 2.091 1.266 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.886 2.708 2.147 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.532 2.533 1.637 1.00 0.00 C ATOM 0 H THR A 22 -8.202 4.265 0.305 1.00 0.00 H new ATOM 0 HA THR A 22 -6.403 2.220 -0.821 1.00 0.00 H new ATOM 0 HB THR A 22 -7.002 1.007 1.367 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.675 2.468 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.327 2.263 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.812 2.040 0.984 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.447 3.613 1.521 1.00 0.00 H new ATOM 454 N ARG A 23 -9.197 2.179 -1.631 1.00 0.00 N ATOM 455 CA ARG A 23 -10.373 1.502 -2.163 1.00 0.00 C ATOM 456 C ARG A 23 -10.141 1.064 -3.606 1.00 0.00 C ATOM 457 O ARG A 23 -9.525 1.782 -4.392 1.00 0.00 O ATOM 458 CB ARG A 23 -11.595 2.419 -2.086 1.00 0.00 C ATOM 459 CG ARG A 23 -11.887 2.929 -0.684 1.00 0.00 C ATOM 460 CD ARG A 23 -13.056 3.900 -0.677 1.00 0.00 C ATOM 461 NE ARG A 23 -13.559 4.142 0.672 1.00 0.00 N ATOM 462 CZ ARG A 23 -12.950 4.927 1.554 1.00 0.00 C ATOM 463 NH1 ARG A 23 -11.822 5.543 1.229 1.00 0.00 N ATOM 464 NH2 ARG A 23 -13.469 5.097 2.763 1.00 0.00 N ATOM 0 H ARG A 23 -8.996 3.079 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.556 0.615 -1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.442 3.271 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.467 1.880 -2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.108 2.087 -0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.001 3.421 -0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.745 4.845 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.860 3.504 -1.298 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.426 3.683 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.420 5.415 0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.356 6.145 1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.337 4.625 3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.000 5.700 3.439 1.00 0.00 H new ATOM 478 N GLY A 24 -10.641 -0.120 -3.948 1.00 0.00 N ATOM 479 CA GLY A 24 -10.477 -0.633 -5.295 1.00 0.00 C ATOM 480 C GLY A 24 -9.788 -1.983 -5.322 1.00 0.00 C ATOM 481 O GLY A 24 -9.093 -2.352 -4.375 1.00 0.00 O ATOM 0 H GLY A 24 -11.157 -0.732 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.455 -0.718 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.898 0.079 -5.883 1.00 0.00 H new ATOM 485 N LEU A 25 -9.980 -2.722 -6.409 1.00 0.00 N ATOM 486 CA LEU A 25 -9.373 -4.040 -6.555 1.00 0.00 C ATOM 487 C LEU A 25 -7.869 -3.978 -6.305 1.00 0.00 C ATOM 488 O LEU A 25 -7.269 -2.903 -6.327 1.00 0.00 O ATOM 489 CB LEU A 25 -9.645 -4.597 -7.953 1.00 0.00 C ATOM 490 CG LEU A 25 -11.043 -5.172 -8.186 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.335 -5.278 -9.675 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.180 -6.531 -7.516 1.00 0.00 C ATOM 0 H LEU A 25 -10.551 -2.431 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.820 -4.702 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.476 -3.801 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.913 -5.378 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.772 -4.495 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.334 -5.689 -9.822 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.280 -4.288 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.601 -5.933 -10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.181 -6.924 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.442 -7.217 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.015 -6.426 -6.444 1.00 0.00 H new ATOM 504 N LYS A 26 -7.265 -5.137 -6.068 1.00 0.00 N ATOM 505 CA LYS A 26 -5.831 -5.216 -5.816 1.00 0.00 C ATOM 506 C LYS A 26 -5.048 -4.488 -6.904 1.00 0.00 C ATOM 507 O LYS A 26 -4.191 -3.655 -6.612 1.00 0.00 O ATOM 508 CB LYS A 26 -5.385 -6.678 -5.743 1.00 0.00 C ATOM 509 CG LYS A 26 -3.920 -6.850 -5.381 1.00 0.00 C ATOM 510 CD LYS A 26 -3.369 -8.168 -5.899 1.00 0.00 C ATOM 511 CE LYS A 26 -1.876 -8.077 -6.174 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.592 -7.432 -7.486 1.00 0.00 N ATOM 0 H LYS A 26 -7.747 -6.036 -6.045 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.627 -4.733 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.996 -7.199 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.571 -7.154 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.342 -6.024 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.804 -6.807 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.558 -8.955 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.892 -8.448 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.394 -7.509 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.442 -9.077 -6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.564 -7.389 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.030 -7.988 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.983 -6.468 -7.491 1.00 0.00 H new ATOM 526 N ALA A 27 -5.348 -4.809 -8.158 1.00 0.00 N ATOM 527 CA ALA A 27 -4.674 -4.182 -9.288 1.00 0.00 C ATOM 528 C ALA A 27 -4.780 -2.663 -9.218 1.00 0.00 C ATOM 529 O ALA A 27 -3.822 -1.951 -9.518 1.00 0.00 O ATOM 530 CB ALA A 27 -5.255 -4.693 -10.599 1.00 0.00 C ATOM 0 H ALA A 27 -6.053 -5.499 -8.417 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.618 -4.449 -9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.742 -4.216 -11.434 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.121 -5.773 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.318 -4.456 -10.643 1.00 0.00 H new ATOM 536 N GLU A 28 -5.950 -2.174 -8.819 1.00 0.00 N ATOM 537 CA GLU A 28 -6.180 -0.738 -8.711 1.00 0.00 C ATOM 538 C GLU A 28 -5.257 -0.116 -7.667 1.00 0.00 C ATOM 539 O GLU A 28 -4.698 0.961 -7.878 1.00 0.00 O ATOM 540 CB GLU A 28 -7.640 -0.458 -8.349 1.00 0.00 C ATOM 541 CG GLU A 28 -8.616 -0.776 -9.470 1.00 0.00 C ATOM 542 CD GLU A 28 -8.210 -0.154 -10.791 1.00 0.00 C ATOM 543 OE1 GLU A 28 -8.218 1.091 -10.888 1.00 0.00 O ATOM 544 OE2 GLU A 28 -7.884 -0.912 -11.729 1.00 0.00 O ATOM 0 H GLU A 28 -6.752 -2.750 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.961 -0.287 -9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.906 -1.044 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.743 0.592 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.687 -1.857 -9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.608 -0.419 -9.195 1.00 0.00 H new ATOM 551 N LEU A 29 -5.104 -0.801 -6.539 1.00 0.00 N ATOM 552 CA LEU A 29 -4.250 -0.318 -5.460 1.00 0.00 C ATOM 553 C LEU A 29 -2.781 -0.354 -5.870 1.00 0.00 C ATOM 554 O LEU A 29 -2.032 0.588 -5.615 1.00 0.00 O ATOM 555 CB LEU A 29 -4.460 -1.159 -4.200 1.00 0.00 C ATOM 556 CG LEU A 29 -5.862 -1.117 -3.592 1.00 0.00 C ATOM 557 CD1 LEU A 29 -6.002 -2.167 -2.501 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.164 0.269 -3.042 1.00 0.00 C ATOM 0 H LEU A 29 -5.560 -1.693 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.524 0.716 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.218 -2.196 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.748 -0.829 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.584 -1.340 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.006 -2.122 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.830 -3.157 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.270 -1.976 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.166 0.280 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.436 0.521 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.106 1.001 -3.848 1.00 0.00 H new ATOM 570 N ALA A 30 -2.377 -1.447 -6.509 1.00 0.00 N ATOM 571 CA ALA A 30 -0.999 -1.604 -6.958 1.00 0.00 C ATOM 572 C ALA A 30 -0.608 -0.494 -7.929 1.00 0.00 C ATOM 573 O ALA A 30 0.447 0.122 -7.788 1.00 0.00 O ATOM 574 CB ALA A 30 -0.808 -2.967 -7.607 1.00 0.00 C ATOM 0 H ALA A 30 -2.984 -2.237 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.348 -1.534 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.225 -3.071 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.038 -3.750 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.474 -3.058 -8.465 1.00 0.00 H new ATOM 580 N GLU A 31 -1.466 -0.247 -8.914 1.00 0.00 N ATOM 581 CA GLU A 31 -1.208 0.788 -9.908 1.00 0.00 C ATOM 582 C GLU A 31 -1.182 2.170 -9.261 1.00 0.00 C ATOM 583 O GLU A 31 -0.372 3.023 -9.626 1.00 0.00 O ATOM 584 CB GLU A 31 -2.272 0.748 -11.007 1.00 0.00 C ATOM 585 CG GLU A 31 -2.294 -0.557 -11.786 1.00 0.00 C ATOM 586 CD GLU A 31 -1.135 -0.676 -12.757 1.00 0.00 C ATOM 587 OE1 GLU A 31 -0.063 -0.103 -12.475 1.00 0.00 O ATOM 588 OE2 GLU A 31 -1.303 -1.343 -13.800 1.00 0.00 O ATOM 0 H GLU A 31 -2.344 -0.749 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.231 0.594 -10.351 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.252 0.910 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.098 1.572 -11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.265 -1.393 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.233 -0.632 -12.335 1.00 0.00 H new ATOM 595 N ARG A 32 -2.074 2.383 -8.299 1.00 0.00 N ATOM 596 CA ARG A 32 -2.154 3.662 -7.602 1.00 0.00 C ATOM 597 C ARG A 32 -0.871 3.939 -6.825 1.00 0.00 C ATOM 598 O ARG A 32 -0.322 5.040 -6.886 1.00 0.00 O ATOM 599 CB ARG A 32 -3.352 3.673 -6.650 1.00 0.00 C ATOM 600 CG ARG A 32 -3.428 4.918 -5.782 1.00 0.00 C ATOM 601 CD ARG A 32 -4.700 4.939 -4.948 1.00 0.00 C ATOM 602 NE ARG A 32 -5.154 6.300 -4.677 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.587 7.132 -5.618 1.00 0.00 C ATOM 604 NH1 ARG A 32 -5.624 6.743 -6.885 1.00 0.00 N ATOM 605 NH2 ARG A 32 -5.984 8.355 -5.292 1.00 0.00 N ATOM 0 H ARG A 32 -2.751 1.688 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.283 4.447 -8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.269 3.590 -7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.302 2.794 -6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.560 4.958 -5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.391 5.806 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.485 4.392 -5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.524 4.421 -4.005 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.138 6.630 -3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.320 5.803 -7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.957 7.384 -7.606 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.957 8.657 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.316 8.993 -6.015 1.00 0.00 H new ATOM 619 N LEU A 33 -0.398 2.935 -6.096 1.00 0.00 N ATOM 620 CA LEU A 33 0.821 3.070 -5.306 1.00 0.00 C ATOM 621 C LEU A 33 2.035 3.270 -6.208 1.00 0.00 C ATOM 622 O LEU A 33 2.886 4.118 -5.940 1.00 0.00 O ATOM 623 CB LEU A 33 1.023 1.835 -4.427 1.00 0.00 C ATOM 624 CG LEU A 33 2.400 1.690 -3.778 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.649 2.824 -2.795 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.523 0.342 -3.083 1.00 0.00 C ATOM 0 H LEU A 33 -0.840 2.018 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 33 0.716 3.948 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.271 1.849 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.834 0.948 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 33 3.157 1.743 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.634 2.704 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.605 3.778 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.887 2.804 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.509 0.256 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.758 0.259 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.390 -0.457 -3.812 1.00 0.00 H new ATOM 638 N GLN A 34 2.106 2.485 -7.278 1.00 0.00 N ATOM 639 CA GLN A 34 3.215 2.577 -8.221 1.00 0.00 C ATOM 640 C GLN A 34 3.243 3.943 -8.897 1.00 0.00 C ATOM 641 O GLN A 34 4.308 4.523 -9.103 1.00 0.00 O ATOM 642 CB GLN A 34 3.109 1.474 -9.275 1.00 0.00 C ATOM 643 CG GLN A 34 4.409 1.215 -10.018 1.00 0.00 C ATOM 644 CD GLN A 34 5.563 0.907 -9.084 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.361 0.605 -7.908 1.00 0.00 O ATOM 646 NE2 GLN A 34 6.782 0.980 -9.605 1.00 0.00 N ATOM 0 H GLN A 34 1.409 1.778 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 34 4.144 2.449 -7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.786 0.552 -8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.336 1.744 -9.995 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.270 0.381 -10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.658 2.088 -10.622 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.903 1.234 -10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.597 0.782 -9.025 1.00 0.00 H new ATOM 655 N ALA A 35 2.064 4.452 -9.241 1.00 0.00 N ATOM 656 CA ALA A 35 1.953 5.751 -9.892 1.00 0.00 C ATOM 657 C ALA A 35 2.579 6.849 -9.039 1.00 0.00 C ATOM 658 O ALA A 35 3.299 7.708 -9.547 1.00 0.00 O ATOM 659 CB ALA A 35 0.494 6.073 -10.182 1.00 0.00 C ATOM 0 H ALA A 35 1.172 3.984 -9.079 1.00 0.00 H new ATOM 0 HA ALA A 35 2.498 5.705 -10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.426 7.046 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.076 5.309 -10.838 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.067 6.094 -9.247 1.00 0.00 H new ATOM 665 N ALA A 36 2.300 6.814 -7.740 1.00 0.00 N ATOM 666 CA ALA A 36 2.838 7.805 -6.817 1.00 0.00 C ATOM 667 C ALA A 36 4.352 7.673 -6.690 1.00 0.00 C ATOM 668 O ALA A 36 5.071 8.672 -6.654 1.00 0.00 O ATOM 669 CB ALA A 36 2.178 7.668 -5.453 1.00 0.00 C ATOM 0 H ALA A 36 1.705 6.110 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 36 2.619 8.795 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.589 8.414 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.103 7.820 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.368 6.671 -5.055 1.00 0.00 H new ATOM 675 N LEU A 37 4.829 6.436 -6.622 1.00 0.00 N ATOM 676 CA LEU A 37 6.259 6.173 -6.498 1.00 0.00 C ATOM 677 C LEU A 37 7.004 6.612 -7.754 1.00 0.00 C ATOM 678 O LEU A 37 8.061 7.237 -7.674 1.00 0.00 O ATOM 679 CB LEU A 37 6.503 4.685 -6.241 1.00 0.00 C ATOM 680 CG LEU A 37 6.205 4.190 -4.825 1.00 0.00 C ATOM 681 CD1 LEU A 37 6.044 2.678 -4.810 1.00 0.00 C ATOM 682 CD2 LEU A 37 7.306 4.621 -3.867 1.00 0.00 C ATOM 0 H LEU A 37 4.247 5.599 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 37 6.638 6.749 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.894 4.112 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.545 4.464 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 37 5.267 4.637 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.832 2.345 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.220 2.393 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.964 2.211 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.078 4.260 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.258 4.203 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.372 5.709 -3.855 1.00 0.00 H new