USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 375 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 Set 1.1: A 21 ASN : amide:sc= -2.36! C(o=-13!,f=-16!) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -171:sc= -1.24! (180deg=-2.3!) USER MOD Set 1.3: A 52 ASN : amide:sc= -9.29! C(o=-13!,f=-13!) USER MOD Set 2.1: A 39 SER OG : rot -24:sc= 0.766 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.213! C(o=0.98!,f=-8!) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.888 K(o=0.74,f=-9.7!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -168:sc= -0.15! (180deg=-2.1!) USER MOD Set 4.1: A 26 GLN : amide:sc= -4.12! K(o=-8.6!,f=-2.9) USER MOD Set 4.2: A 55 GLN : amide:sc= -4.51! K(o=-8.6!,f=-2.9) USER MOD Single : A 9 GLN : amide:sc= -5.15! C(o=-5.1!,f=-6.8!) USER MOD Single : A 10 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.79) USER MOD Single : A 11 ASN : amide:sc= -1.21! K(o=-1.2!,f=-0.11) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.826 K(o=0.83,f=-2.8!) USER MOD Single : A 23 ASN : amide:sc= 0.857 K(o=0.86,f=-3.2!) USER MOD Single : A 28 ASN : amide:sc= 0.492! C(o=0.49!,f=-7.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 157:sc= 0.697 USER MOD Single : A 43 ASN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -109:sc= -2.27! (180deg=-8.87!) USER MOD ----------------------------------------------------------------- ATOM 123 N GLU A 8 -3.275 -10.433 -4.659 1.00 0.00 N ATOM 124 CA GLU A 8 -3.849 -9.148 -4.269 1.00 0.00 C ATOM 125 C GLU A 8 -2.690 -8.186 -4.064 1.00 0.00 C ATOM 126 O GLU A 8 -2.698 -7.059 -4.532 1.00 0.00 O ATOM 127 CB GLU A 8 -4.752 -9.263 -3.000 1.00 0.00 C ATOM 128 CG GLU A 8 -4.694 -10.610 -2.220 1.00 0.00 C ATOM 129 CD GLU A 8 -3.271 -11.013 -1.880 1.00 0.00 C ATOM 130 OE1 GLU A 8 -2.605 -10.296 -1.144 1.00 0.00 O ATOM 131 OE2 GLU A 8 -2.821 -12.035 -2.402 1.00 0.00 O ATOM 0 HA GLU A 8 -4.513 -8.779 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.479 -8.461 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.785 -9.088 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.274 -10.522 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.159 -11.394 -2.817 1.00 0.00 H new ATOM 138 N GLN A 9 -1.682 -8.663 -3.345 1.00 0.00 N ATOM 139 CA GLN A 9 -0.443 -8.009 -3.048 1.00 0.00 C ATOM 140 C GLN A 9 0.115 -7.215 -4.234 1.00 0.00 C ATOM 141 O GLN A 9 0.271 -6.005 -4.125 1.00 0.00 O ATOM 142 CB GLN A 9 0.372 -9.168 -2.651 1.00 0.00 C ATOM 143 CG GLN A 9 1.321 -8.856 -1.590 1.00 0.00 C ATOM 144 CD GLN A 9 2.530 -8.019 -1.944 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.701 -7.383 -2.975 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.428 -8.116 -1.002 1.00 0.00 N ATOM 0 H GLN A 9 -1.728 -9.593 -2.928 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.500 -7.231 -2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.285 -9.972 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.915 -9.539 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.778 -8.341 -0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.677 -9.798 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.230 -8.661 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.328 -7.647 -1.105 1.00 0.00 H new ATOM 155 N GLN A 10 0.429 -7.834 -5.377 1.00 0.00 N ATOM 156 CA GLN A 10 0.920 -7.085 -6.532 1.00 0.00 C ATOM 157 C GLN A 10 -0.094 -6.049 -6.994 1.00 0.00 C ATOM 158 O GLN A 10 0.276 -4.945 -7.399 1.00 0.00 O ATOM 159 CB GLN A 10 1.276 -8.006 -7.723 1.00 0.00 C ATOM 160 CG GLN A 10 2.284 -9.138 -7.440 1.00 0.00 C ATOM 161 CD GLN A 10 3.585 -8.677 -6.823 1.00 0.00 C ATOM 162 OE1 GLN A 10 4.012 -7.520 -6.845 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.247 -9.643 -6.223 1.00 0.00 N ATOM 0 H GLN A 10 0.352 -8.840 -5.524 1.00 0.00 H new ATOM 0 HA GLN A 10 1.828 -6.583 -6.199 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.355 -8.455 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.675 -7.386 -8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.818 -9.865 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.502 -9.655 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.872 -10.592 -6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.135 -9.443 -5.762 1.00 0.00 H new ATOM 172 N ASN A 11 -1.386 -6.371 -6.934 1.00 0.00 N ATOM 173 CA ASN A 11 -2.419 -5.404 -7.317 1.00 0.00 C ATOM 174 C ASN A 11 -2.298 -4.157 -6.428 1.00 0.00 C ATOM 175 O ASN A 11 -2.321 -3.015 -6.897 1.00 0.00 O ATOM 176 CB ASN A 11 -3.818 -6.069 -7.219 1.00 0.00 C ATOM 177 CG ASN A 11 -4.899 -5.259 -7.917 1.00 0.00 C ATOM 178 OD1 ASN A 11 -5.846 -5.807 -8.470 1.00 0.00 O ATOM 179 ND2 ASN A 11 -4.854 -3.941 -7.961 1.00 0.00 N ATOM 0 H ASN A 11 -1.740 -7.278 -6.629 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.284 -5.087 -8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.774 -7.065 -7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.084 -6.195 -6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.589 -3.421 -8.441 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.085 -3.442 -7.515 1.00 0.00 H new ATOM 186 N ALA A 12 -2.163 -4.394 -5.120 1.00 0.00 N ATOM 187 CA ALA A 12 -1.979 -3.358 -4.120 1.00 0.00 C ATOM 188 C ALA A 12 -0.660 -2.640 -4.381 1.00 0.00 C ATOM 189 O ALA A 12 -0.543 -1.447 -4.207 1.00 0.00 O ATOM 190 CB ALA A 12 -1.990 -3.998 -2.719 1.00 0.00 C ATOM 0 H ALA A 12 -2.180 -5.335 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.788 -2.630 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.852 -3.224 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.944 -4.499 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.181 -4.725 -2.645 1.00 0.00 H new ATOM 196 N PHE A 13 0.378 -3.347 -4.809 1.00 0.00 N ATOM 197 CA PHE A 13 1.674 -2.771 -5.143 1.00 0.00 C ATOM 198 C PHE A 13 1.466 -1.656 -6.166 1.00 0.00 C ATOM 199 O PHE A 13 1.864 -0.496 -6.005 1.00 0.00 O ATOM 200 CB PHE A 13 2.521 -3.951 -5.659 1.00 0.00 C ATOM 201 CG PHE A 13 3.974 -3.548 -5.621 1.00 0.00 C ATOM 202 CD1 PHE A 13 4.583 -2.693 -6.556 1.00 0.00 C ATOM 203 CD2 PHE A 13 4.730 -4.084 -4.560 1.00 0.00 C ATOM 204 CE1 PHE A 13 5.952 -2.387 -6.411 1.00 0.00 C ATOM 205 CE2 PHE A 13 6.091 -3.780 -4.414 1.00 0.00 C ATOM 206 CZ PHE A 13 6.703 -2.924 -5.348 1.00 0.00 C ATOM 0 H PHE A 13 0.341 -4.358 -4.936 1.00 0.00 H new ATOM 0 HA PHE A 13 2.190 -2.304 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.356 -4.834 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.227 -4.213 -6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.011 -2.277 -7.373 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.253 -4.740 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.430 -1.732 -7.124 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.661 -4.197 -3.597 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.750 -2.679 -5.249 1.00 0.00 H new ATOM 216 N TYR A 14 0.819 -2.057 -7.249 1.00 0.00 N ATOM 217 CA TYR A 14 0.471 -1.103 -8.298 1.00 0.00 C ATOM 218 C TYR A 14 -0.396 0.038 -7.775 1.00 0.00 C ATOM 219 O TYR A 14 -0.131 1.199 -8.065 1.00 0.00 O ATOM 220 CB TYR A 14 -0.248 -1.855 -9.458 1.00 0.00 C ATOM 221 CG TYR A 14 0.753 -2.769 -10.203 1.00 0.00 C ATOM 222 CD1 TYR A 14 1.858 -2.205 -10.882 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.605 -4.179 -10.225 1.00 0.00 C ATOM 224 CE1 TYR A 14 2.785 -3.034 -11.556 1.00 0.00 C ATOM 225 CE2 TYR A 14 1.521 -5.014 -10.893 1.00 0.00 C ATOM 226 CZ TYR A 14 2.621 -4.439 -11.563 1.00 0.00 C ATOM 227 OH TYR A 14 3.518 -5.233 -12.209 1.00 0.00 O ATOM 0 H TYR A 14 0.527 -3.018 -7.426 1.00 0.00 H new ATOM 0 HA TYR A 14 1.392 -0.651 -8.667 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.070 -2.451 -9.061 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.682 -1.136 -10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.995 -1.134 -10.886 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.235 -4.626 -9.714 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.625 -2.590 -12.070 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.383 -6.085 -10.892 1.00 0.00 H new ATOM 0 HH TYR A 14 3.254 -6.172 -12.112 1.00 0.00 H new ATOM 237 N GLU A 15 -1.427 -0.265 -6.988 1.00 0.00 N ATOM 238 CA GLU A 15 -2.314 0.719 -6.376 1.00 0.00 C ATOM 239 C GLU A 15 -1.531 1.749 -5.550 1.00 0.00 C ATOM 240 O GLU A 15 -1.752 2.955 -5.601 1.00 0.00 O ATOM 241 CB GLU A 15 -3.299 -0.090 -5.495 1.00 0.00 C ATOM 242 CG GLU A 15 -4.741 0.438 -5.479 1.00 0.00 C ATOM 243 CD GLU A 15 -4.834 1.840 -4.913 1.00 0.00 C ATOM 244 OE1 GLU A 15 -4.877 2.010 -3.696 1.00 0.00 O ATOM 245 OE2 GLU A 15 -4.925 2.789 -5.684 1.00 0.00 O ATOM 0 H GLU A 15 -1.674 -1.227 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.845 1.297 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.310 -1.123 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.922 -0.103 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.139 0.431 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.364 -0.232 -4.887 1.00 0.00 H new ATOM 252 N ILE A 16 -0.569 1.236 -4.788 1.00 0.00 N ATOM 253 CA ILE A 16 0.354 1.980 -3.934 1.00 0.00 C ATOM 254 C ILE A 16 1.149 2.978 -4.772 1.00 0.00 C ATOM 255 O ILE A 16 1.200 4.179 -4.503 1.00 0.00 O ATOM 256 CB ILE A 16 1.183 0.883 -3.205 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.449 0.473 -1.909 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.639 1.270 -2.863 1.00 0.00 C ATOM 259 CD1 ILE A 16 -1.104 0.410 -1.913 1.00 0.00 C ATOM 0 H ILE A 16 -0.403 0.230 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.122 2.612 -3.184 1.00 0.00 H new ATOM 0 HB ILE A 16 1.261 0.058 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.818 -0.511 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.749 1.170 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.128 0.437 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.178 1.505 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.640 2.142 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.458 0.107 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.507 1.393 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.437 -0.314 -2.657 1.00 0.00 H new ATOM 271 N LEU A 17 1.776 2.477 -5.835 1.00 0.00 N ATOM 272 CA LEU A 17 2.524 3.327 -6.759 1.00 0.00 C ATOM 273 C LEU A 17 1.639 4.365 -7.474 1.00 0.00 C ATOM 274 O LEU A 17 2.042 5.494 -7.739 1.00 0.00 O ATOM 275 CB LEU A 17 3.228 2.404 -7.775 1.00 0.00 C ATOM 276 CG LEU A 17 4.468 1.708 -7.191 1.00 0.00 C ATOM 277 CD1 LEU A 17 4.932 0.616 -8.153 1.00 0.00 C ATOM 278 CD2 LEU A 17 5.614 2.706 -6.992 1.00 0.00 C ATOM 0 H LEU A 17 1.781 1.486 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 17 3.251 3.910 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.523 1.648 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.522 2.989 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 17 4.199 1.281 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.811 0.120 -7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.133 -0.113 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.183 1.062 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.479 2.189 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.881 3.149 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.298 3.491 -6.305 1.00 0.00 H new ATOM 290 N HIS A 18 0.414 3.945 -7.785 1.00 0.00 N ATOM 291 CA HIS A 18 -0.654 4.712 -8.423 1.00 0.00 C ATOM 292 C HIS A 18 -1.168 5.926 -7.647 1.00 0.00 C ATOM 293 O HIS A 18 -1.739 6.845 -8.235 1.00 0.00 O ATOM 294 CB HIS A 18 -1.805 3.681 -8.676 1.00 0.00 C ATOM 295 CG HIS A 18 -3.187 4.286 -8.895 1.00 0.00 C ATOM 296 ND1 HIS A 18 -4.263 4.119 -8.134 1.00 0.00 N ATOM 297 CD2 HIS A 18 -3.535 5.111 -9.935 1.00 0.00 C ATOM 298 CE1 HIS A 18 -5.229 4.804 -8.692 1.00 0.00 C ATOM 299 NE2 HIS A 18 -4.798 5.404 -9.773 1.00 0.00 N ATOM 0 H HIS A 18 0.121 2.989 -7.583 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.258 5.165 -9.332 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.547 3.081 -9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.855 3.001 -7.825 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.325 3.564 -7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.891 5.452 -10.732 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.239 4.866 -8.314 1.00 0.00 H new ATOM 307 N LEU A 19 -0.978 5.989 -6.334 1.00 0.00 N ATOM 308 CA LEU A 19 -1.514 7.092 -5.545 1.00 0.00 C ATOM 309 C LEU A 19 -1.004 8.507 -5.834 1.00 0.00 C ATOM 310 O LEU A 19 0.090 8.886 -5.413 1.00 0.00 O ATOM 311 CB LEU A 19 -1.388 6.708 -4.061 1.00 0.00 C ATOM 312 CG LEU A 19 -1.969 5.337 -3.787 1.00 0.00 C ATOM 313 CD1 LEU A 19 -2.091 4.976 -2.314 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.330 5.151 -4.451 1.00 0.00 C ATOM 0 H LEU A 19 -0.460 5.294 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.553 7.201 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.338 6.723 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.900 7.450 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.237 4.658 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.517 3.977 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.104 4.996 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.740 5.696 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.710 4.154 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.026 5.898 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.227 5.268 -5.530 1.00 0.00 H new ATOM 326 N PRO A 20 -1.782 9.389 -6.490 1.00 0.00 N ATOM 327 CA PRO A 20 -1.368 10.769 -6.767 1.00 0.00 C ATOM 328 C PRO A 20 -1.376 11.649 -5.515 1.00 0.00 C ATOM 329 O PRO A 20 -1.037 12.829 -5.541 1.00 0.00 O ATOM 330 CB PRO A 20 -2.361 11.216 -7.834 1.00 0.00 C ATOM 331 CG PRO A 20 -3.635 10.553 -7.334 1.00 0.00 C ATOM 332 CD PRO A 20 -3.157 9.152 -6.943 1.00 0.00 C ATOM 0 HA PRO A 20 -0.335 10.849 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.452 12.301 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.080 10.873 -8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.062 11.086 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.403 10.517 -8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.773 8.720 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.191 8.463 -7.787 1.00 0.00 H new ATOM 340 N ASN A 21 -1.789 11.050 -4.396 1.00 0.00 N ATOM 341 CA ASN A 21 -1.825 11.714 -3.105 1.00 0.00 C ATOM 342 C ASN A 21 -1.223 10.899 -1.962 1.00 0.00 C ATOM 343 O ASN A 21 -1.586 11.020 -0.797 1.00 0.00 O ATOM 344 CB ASN A 21 -3.293 12.083 -2.831 1.00 0.00 C ATOM 345 CG ASN A 21 -4.178 10.848 -2.719 1.00 0.00 C ATOM 346 OD1 ASN A 21 -3.913 9.750 -3.206 1.00 0.00 O ATOM 347 ND2 ASN A 21 -5.271 11.037 -2.015 1.00 0.00 N ATOM 0 H ASN A 21 -2.109 10.082 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.193 12.601 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.356 12.660 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.662 12.723 -3.633 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.920 10.265 -1.863 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.471 11.956 -1.620 1.00 0.00 H new ATOM 354 N LEU A 22 -0.288 10.033 -2.330 1.00 0.00 N ATOM 355 CA LEU A 22 0.464 9.192 -1.416 1.00 0.00 C ATOM 356 C LEU A 22 1.740 8.721 -2.103 1.00 0.00 C ATOM 357 O LEU A 22 1.738 7.953 -3.067 1.00 0.00 O ATOM 358 CB LEU A 22 -0.327 7.996 -0.877 1.00 0.00 C ATOM 359 CG LEU A 22 0.613 7.210 0.043 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.090 6.650 1.283 1.00 0.00 C ATOM 361 CD2 LEU A 22 1.249 6.007 -0.640 1.00 0.00 C ATOM 0 H LEU A 22 -0.026 9.894 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 22 0.700 9.803 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.208 8.332 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.680 7.368 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 22 1.366 7.949 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.629 6.104 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.511 7.470 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.890 5.976 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.903 5.493 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.468 5.324 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.831 6.342 -1.498 1.00 0.00 H new ATOM 373 N ASN A 23 2.861 9.217 -1.608 1.00 0.00 N ATOM 374 CA ASN A 23 4.147 8.873 -2.219 1.00 0.00 C ATOM 375 C ASN A 23 5.378 8.952 -1.337 1.00 0.00 C ATOM 376 O ASN A 23 6.497 8.735 -1.797 1.00 0.00 O ATOM 377 CB ASN A 23 4.369 9.658 -3.532 1.00 0.00 C ATOM 378 CG ASN A 23 4.689 8.628 -4.596 1.00 0.00 C ATOM 379 OD1 ASN A 23 5.825 8.204 -4.807 1.00 0.00 O ATOM 380 ND2 ASN A 23 3.637 8.136 -5.213 1.00 0.00 N ATOM 0 H ASN A 23 2.916 9.844 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 23 4.043 7.807 -2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.479 10.229 -3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.185 10.372 -3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.749 7.381 -5.889 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.709 8.510 -5.015 1.00 0.00 H new ATOM 387 N GLU A 24 5.221 9.264 -0.069 1.00 0.00 N ATOM 388 CA GLU A 24 6.275 9.424 0.866 1.00 0.00 C ATOM 389 C GLU A 24 6.680 8.109 1.533 1.00 0.00 C ATOM 390 O GLU A 24 6.830 7.025 0.953 1.00 0.00 O ATOM 391 CB GLU A 24 5.690 10.525 1.818 1.00 0.00 C ATOM 392 CG GLU A 24 4.458 10.107 2.721 1.00 0.00 C ATOM 393 CD GLU A 24 3.391 9.287 2.005 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.575 8.090 1.861 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.419 9.821 1.486 1.00 0.00 O ATOM 0 H GLU A 24 4.301 9.417 0.343 1.00 0.00 H new ATOM 0 HA GLU A 24 7.229 9.728 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.491 10.868 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.390 11.377 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.827 9.534 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.996 11.009 3.121 1.00 0.00 H new ATOM 402 N GLU A 25 6.775 8.287 2.831 1.00 0.00 N ATOM 403 CA GLU A 25 7.193 7.274 3.775 1.00 0.00 C ATOM 404 C GLU A 25 6.131 6.237 4.080 1.00 0.00 C ATOM 405 O GLU A 25 6.427 5.121 4.504 1.00 0.00 O ATOM 406 CB GLU A 25 7.786 7.968 5.023 1.00 0.00 C ATOM 407 CG GLU A 25 9.302 8.292 4.809 1.00 0.00 C ATOM 408 CD GLU A 25 9.579 9.024 3.498 1.00 0.00 C ATOM 409 OE1 GLU A 25 9.638 8.362 2.454 1.00 0.00 O ATOM 410 OE2 GLU A 25 9.739 10.245 3.532 1.00 0.00 O ATOM 0 H GLU A 25 6.554 9.178 3.277 1.00 0.00 H new ATOM 0 HA GLU A 25 7.977 6.673 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.238 8.888 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.666 7.324 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.658 8.901 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.872 7.363 4.827 1.00 0.00 H new ATOM 417 N GLN A 26 4.867 6.582 3.851 1.00 0.00 N ATOM 418 CA GLN A 26 3.769 5.661 4.050 1.00 0.00 C ATOM 419 C GLN A 26 3.852 4.680 2.885 1.00 0.00 C ATOM 420 O GLN A 26 3.830 3.462 3.042 1.00 0.00 O ATOM 421 CB GLN A 26 2.418 6.412 4.052 1.00 0.00 C ATOM 422 CG GLN A 26 2.429 7.672 4.956 1.00 0.00 C ATOM 423 CD GLN A 26 1.104 8.411 4.904 1.00 0.00 C ATOM 424 OE1 GLN A 26 0.341 8.396 5.863 1.00 0.00 O ATOM 425 NE2 GLN A 26 0.701 9.089 3.847 1.00 0.00 N ATOM 0 H GLN A 26 4.583 7.505 3.524 1.00 0.00 H new ATOM 0 HA GLN A 26 3.834 5.150 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.170 6.705 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.633 5.736 4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.643 7.380 5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.231 8.340 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.292 9.139 3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.202 9.564 3.859 1.00 0.00 H new ATOM 434 N ARG A 27 3.975 5.249 1.685 1.00 0.00 N ATOM 435 CA ARG A 27 4.124 4.481 0.459 1.00 0.00 C ATOM 436 C ARG A 27 5.316 3.556 0.554 1.00 0.00 C ATOM 437 O ARG A 27 5.262 2.381 0.218 1.00 0.00 O ATOM 438 CB ARG A 27 4.375 5.386 -0.724 1.00 0.00 C ATOM 439 CG ARG A 27 4.081 4.563 -2.006 1.00 0.00 C ATOM 440 CD ARG A 27 4.465 5.195 -3.347 1.00 0.00 C ATOM 441 NE ARG A 27 5.811 5.765 -3.340 1.00 0.00 N ATOM 442 CZ ARG A 27 6.817 5.315 -2.624 1.00 0.00 C ATOM 443 NH1 ARG A 27 7.078 4.058 -2.460 1.00 0.00 N ATOM 444 NH2 ARG A 27 7.562 6.164 -2.005 1.00 0.00 N ATOM 0 H ARG A 27 3.973 6.259 1.541 1.00 0.00 H new ATOM 0 HA ARG A 27 3.198 3.921 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.734 6.266 -0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.405 5.742 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.601 3.609 -1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.014 4.344 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.399 4.441 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.746 5.976 -3.595 1.00 0.00 H new ATOM 0 HE ARG A 27 5.983 6.574 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.487 3.353 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.875 3.773 -1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.365 7.162 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.348 5.838 -1.443 1.00 0.00 H new ATOM 458 N ASN A 28 6.421 4.151 0.991 1.00 0.00 N ATOM 459 CA ASN A 28 7.658 3.409 1.201 1.00 0.00 C ATOM 460 C ASN A 28 7.484 2.299 2.226 1.00 0.00 C ATOM 461 O ASN A 28 7.885 1.166 1.972 1.00 0.00 O ATOM 462 CB ASN A 28 8.804 4.363 1.608 1.00 0.00 C ATOM 463 CG ASN A 28 9.381 5.042 0.384 1.00 0.00 C ATOM 464 OD1 ASN A 28 9.372 4.481 -0.710 1.00 0.00 O ATOM 465 ND2 ASN A 28 9.911 6.248 0.446 1.00 0.00 N ATOM 0 H ASN A 28 6.485 5.146 1.207 1.00 0.00 H new ATOM 0 HA ASN A 28 7.922 2.936 0.255 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.432 5.112 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.585 3.805 2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.294 6.681 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.938 6.748 1.335 1.00 0.00 H new ATOM 472 N ALA A 29 6.879 2.572 3.382 1.00 0.00 N ATOM 473 CA ALA A 29 6.639 1.552 4.396 1.00 0.00 C ATOM 474 C ALA A 29 5.835 0.401 3.801 1.00 0.00 C ATOM 475 O ALA A 29 6.171 -0.771 3.957 1.00 0.00 O ATOM 476 CB ALA A 29 5.893 2.194 5.573 1.00 0.00 C ATOM 0 H ALA A 29 6.544 3.501 3.638 1.00 0.00 H new ATOM 0 HA ALA A 29 7.586 1.147 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.707 1.442 6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.498 2.998 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.943 2.599 5.224 1.00 0.00 H new ATOM 482 N PHE A 30 4.753 0.730 3.096 1.00 0.00 N ATOM 483 CA PHE A 30 3.957 -0.299 2.445 1.00 0.00 C ATOM 484 C PHE A 30 4.788 -1.044 1.400 1.00 0.00 C ATOM 485 O PHE A 30 4.775 -2.266 1.386 1.00 0.00 O ATOM 486 CB PHE A 30 2.648 0.314 1.895 1.00 0.00 C ATOM 487 CG PHE A 30 1.801 0.478 3.164 1.00 0.00 C ATOM 488 CD1 PHE A 30 1.385 -0.729 3.784 1.00 0.00 C ATOM 489 CD2 PHE A 30 1.415 1.694 3.755 1.00 0.00 C ATOM 490 CE1 PHE A 30 0.612 -0.740 4.952 1.00 0.00 C ATOM 491 CE2 PHE A 30 0.638 1.669 4.931 1.00 0.00 C ATOM 492 CZ PHE A 30 0.235 0.471 5.533 1.00 0.00 C ATOM 0 H PHE A 30 4.415 1.684 2.965 1.00 0.00 H new ATOM 0 HA PHE A 30 3.657 -1.055 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.824 1.268 1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.167 -0.340 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.674 -1.670 3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.710 2.635 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.311 -1.676 5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.344 2.605 5.382 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.359 0.484 6.435 1.00 0.00 H new ATOM 502 N ILE A 31 5.538 -0.392 0.508 1.00 0.00 N ATOM 503 CA ILE A 31 6.395 -1.074 -0.468 1.00 0.00 C ATOM 504 C ILE A 31 7.313 -2.072 0.235 1.00 0.00 C ATOM 505 O ILE A 31 7.488 -3.219 -0.180 1.00 0.00 O ATOM 506 CB ILE A 31 7.186 -0.007 -1.279 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.266 0.497 -2.426 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.584 -0.462 -1.765 1.00 0.00 C ATOM 509 CD1 ILE A 31 7.002 1.146 -3.612 1.00 0.00 C ATOM 0 H ILE A 31 5.569 0.625 0.441 1.00 0.00 H new ATOM 0 HA ILE A 31 5.788 -1.649 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 31 7.434 0.818 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.680 -0.344 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.561 1.220 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.058 0.348 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.201 -0.722 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.479 -1.332 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.276 1.465 -4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.566 2.011 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.686 0.423 -4.056 1.00 0.00 H new ATOM 521 N GLN A 32 7.907 -1.635 1.343 1.00 0.00 N ATOM 522 CA GLN A 32 8.758 -2.442 2.163 1.00 0.00 C ATOM 523 C GLN A 32 7.986 -3.643 2.712 1.00 0.00 C ATOM 524 O GLN A 32 8.470 -4.767 2.628 1.00 0.00 O ATOM 525 CB GLN A 32 9.291 -1.395 3.165 1.00 0.00 C ATOM 526 CG GLN A 32 9.538 -1.940 4.524 1.00 0.00 C ATOM 527 CD GLN A 32 10.326 -3.233 4.569 1.00 0.00 C ATOM 528 OE1 GLN A 32 11.375 -3.408 3.961 1.00 0.00 O ATOM 529 NE2 GLN A 32 9.784 -4.204 5.275 1.00 0.00 N ATOM 0 H GLN A 32 7.796 -0.682 1.690 1.00 0.00 H new ATOM 0 HA GLN A 32 9.594 -2.948 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.219 -0.974 2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.575 -0.576 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.070 -1.189 5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.577 -2.102 5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.910 -4.044 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.238 -5.116 5.321 1.00 0.00 H new ATOM 538 N SER A 33 6.790 -3.442 3.270 1.00 0.00 N ATOM 539 CA SER A 33 5.984 -4.559 3.762 1.00 0.00 C ATOM 540 C SER A 33 5.543 -5.476 2.631 1.00 0.00 C ATOM 541 O SER A 33 5.276 -6.651 2.852 1.00 0.00 O ATOM 542 CB SER A 33 4.741 -4.113 4.519 1.00 0.00 C ATOM 543 OG SER A 33 4.144 -5.300 5.035 1.00 0.00 O ATOM 0 H SER A 33 6.362 -2.524 3.391 1.00 0.00 H new ATOM 0 HA SER A 33 6.639 -5.094 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.001 -3.426 5.324 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.052 -3.585 3.860 1.00 0.00 H new ATOM 0 HG SER A 33 3.335 -5.068 5.536 1.00 0.00 H new ATOM 549 N LEU A 34 5.385 -4.981 1.410 1.00 0.00 N ATOM 550 CA LEU A 34 5.036 -5.829 0.293 1.00 0.00 C ATOM 551 C LEU A 34 6.288 -6.551 -0.171 1.00 0.00 C ATOM 552 O LEU A 34 6.187 -7.597 -0.799 1.00 0.00 O ATOM 553 CB LEU A 34 4.323 -5.033 -0.830 1.00 0.00 C ATOM 554 CG LEU A 34 2.817 -4.818 -0.542 1.00 0.00 C ATOM 555 CD1 LEU A 34 2.528 -3.840 0.601 1.00 0.00 C ATOM 556 CD2 LEU A 34 2.129 -4.266 -1.790 1.00 0.00 C ATOM 0 H LEU A 34 5.495 -3.995 1.175 1.00 0.00 H new ATOM 0 HA LEU A 34 4.308 -6.579 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.809 -4.064 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.436 -5.564 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 34 2.437 -5.797 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.450 -3.747 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.979 -4.212 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.949 -2.864 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.069 -4.116 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.584 -3.315 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.243 -4.974 -2.611 1.00 0.00 H new ATOM 568 N LYS A 35 7.492 -6.028 0.068 1.00 0.00 N ATOM 569 CA LYS A 35 8.699 -6.751 -0.296 1.00 0.00 C ATOM 570 C LYS A 35 8.689 -7.929 0.694 1.00 0.00 C ATOM 571 O LYS A 35 8.743 -9.113 0.364 1.00 0.00 O ATOM 572 CB LYS A 35 9.937 -5.808 -0.230 1.00 0.00 C ATOM 573 CG LYS A 35 10.947 -6.068 0.901 1.00 0.00 C ATOM 574 CD LYS A 35 12.107 -5.060 0.834 1.00 0.00 C ATOM 575 CE LYS A 35 13.288 -5.477 1.723 1.00 0.00 C ATOM 576 NZ LYS A 35 12.840 -5.687 3.087 1.00 0.00 N ATOM 0 H LYS A 35 7.651 -5.120 0.505 1.00 0.00 H new ATOM 0 HA LYS A 35 8.745 -7.120 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.466 -5.875 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.579 -4.783 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.447 -5.992 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.336 -7.083 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.446 -4.966 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.751 -4.077 1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.739 -6.391 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.059 -4.707 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.665 -5.768 3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.254 -4.882 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.280 -6.562 3.138 1.00 0.00 H new ATOM 590 N ASP A 36 8.594 -7.563 1.973 1.00 0.00 N ATOM 591 CA ASP A 36 8.505 -8.514 3.056 1.00 0.00 C ATOM 592 C ASP A 36 7.024 -8.801 3.334 1.00 0.00 C ATOM 593 O ASP A 36 6.435 -8.461 4.364 1.00 0.00 O ATOM 594 CB ASP A 36 9.170 -7.944 4.279 1.00 0.00 C ATOM 595 CG ASP A 36 10.643 -7.606 4.109 1.00 0.00 C ATOM 596 OD1 ASP A 36 11.340 -8.172 3.268 1.00 0.00 O ATOM 597 OD2 ASP A 36 11.114 -6.712 4.804 1.00 0.00 O ATOM 0 H ASP A 36 8.577 -6.590 2.277 1.00 0.00 H new ATOM 0 HA ASP A 36 9.009 -9.443 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.637 -7.041 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.068 -8.658 5.096 1.00 0.00 H new ATOM 602 N ASP A 37 6.474 -9.497 2.355 1.00 0.00 N ATOM 603 CA ASP A 37 5.068 -9.896 2.271 1.00 0.00 C ATOM 604 C ASP A 37 4.663 -11.059 3.197 1.00 0.00 C ATOM 605 O ASP A 37 5.177 -12.177 3.107 1.00 0.00 O ATOM 606 CB ASP A 37 4.823 -10.279 0.801 1.00 0.00 C ATOM 607 CG ASP A 37 3.395 -10.667 0.425 1.00 0.00 C ATOM 608 OD1 ASP A 37 2.475 -10.061 0.970 1.00 0.00 O ATOM 609 OD2 ASP A 37 3.204 -11.482 -0.490 1.00 0.00 O ATOM 0 H ASP A 37 7.017 -9.818 1.554 1.00 0.00 H new ATOM 0 HA ASP A 37 4.454 -9.062 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.124 -9.439 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.479 -11.113 0.552 1.00 0.00 H new ATOM 614 N PRO A 38 3.764 -10.771 4.165 1.00 0.00 N ATOM 615 CA PRO A 38 3.215 -11.731 5.117 1.00 0.00 C ATOM 616 C PRO A 38 1.843 -12.303 4.727 1.00 0.00 C ATOM 617 O PRO A 38 1.694 -12.944 3.691 1.00 0.00 O ATOM 618 CB PRO A 38 3.219 -10.906 6.402 1.00 0.00 C ATOM 619 CG PRO A 38 2.664 -9.579 5.889 1.00 0.00 C ATOM 620 CD PRO A 38 3.335 -9.413 4.515 1.00 0.00 C ATOM 0 HA PRO A 38 3.790 -12.654 5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.591 -11.345 7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.219 -10.801 6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.578 -9.605 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.912 -8.755 6.558 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.641 -9.011 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.181 -8.727 4.564 1.00 0.00 H new ATOM 628 N SER A 39 0.799 -12.138 5.549 1.00 0.00 N ATOM 629 CA SER A 39 -0.546 -12.638 5.255 1.00 0.00 C ATOM 630 C SER A 39 -1.591 -11.625 4.764 1.00 0.00 C ATOM 631 O SER A 39 -2.157 -11.705 3.673 1.00 0.00 O ATOM 632 CB SER A 39 -1.069 -13.441 6.463 1.00 0.00 C ATOM 633 OG SER A 39 -1.181 -12.665 7.653 1.00 0.00 O ATOM 0 H SER A 39 0.866 -11.650 6.442 1.00 0.00 H new ATOM 0 HA SER A 39 -0.412 -13.272 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.045 -13.858 6.217 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.400 -14.282 6.648 1.00 0.00 H new ATOM 0 HG SER A 39 -0.569 -11.901 7.604 1.00 0.00 H new ATOM 639 N GLN A 40 -1.810 -10.647 5.635 1.00 0.00 N ATOM 640 CA GLN A 40 -2.774 -9.561 5.523 1.00 0.00 C ATOM 641 C GLN A 40 -2.544 -8.460 4.484 1.00 0.00 C ATOM 642 O GLN A 40 -2.947 -7.321 4.714 1.00 0.00 O ATOM 643 CB GLN A 40 -2.868 -8.968 6.957 1.00 0.00 C ATOM 644 CG GLN A 40 -1.518 -8.441 7.541 1.00 0.00 C ATOM 645 CD GLN A 40 -0.740 -9.519 8.282 1.00 0.00 C ATOM 646 OE1 GLN A 40 0.102 -10.227 7.724 1.00 0.00 O ATOM 647 NE2 GLN A 40 -0.987 -9.703 9.565 1.00 0.00 N ATOM 0 H GLN A 40 -1.278 -10.589 6.503 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.694 -9.995 5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.588 -8.150 6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.262 -9.733 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.905 -8.048 6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.719 -7.612 8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.681 -9.125 10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.484 -10.424 10.083 1.00 0.00 H new ATOM 656 N SER A 41 -1.946 -8.718 3.319 1.00 0.00 N ATOM 657 CA SER A 41 -1.736 -7.688 2.285 1.00 0.00 C ATOM 658 C SER A 41 -3.008 -6.931 1.908 1.00 0.00 C ATOM 659 O SER A 41 -2.973 -5.714 1.705 1.00 0.00 O ATOM 660 CB SER A 41 -1.004 -8.341 1.118 1.00 0.00 C ATOM 661 OG SER A 41 0.316 -8.424 1.659 1.00 0.00 O ATOM 0 H SER A 41 -1.593 -9.640 3.061 1.00 0.00 H new ATOM 0 HA SER A 41 -1.109 -6.888 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.412 -9.320 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.044 -7.737 0.212 1.00 0.00 H new ATOM 0 HG SER A 41 0.813 -9.135 1.202 1.00 0.00 H new ATOM 667 N ALA A 42 -4.163 -7.598 1.812 1.00 0.00 N ATOM 668 CA ALA A 42 -5.411 -6.896 1.519 1.00 0.00 C ATOM 669 C ALA A 42 -5.636 -5.806 2.580 1.00 0.00 C ATOM 670 O ALA A 42 -6.077 -4.682 2.310 1.00 0.00 O ATOM 671 CB ALA A 42 -6.553 -7.924 1.542 1.00 0.00 C ATOM 0 H ALA A 42 -4.257 -8.607 1.931 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.372 -6.420 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.497 -7.424 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.368 -8.691 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.605 -8.388 2.527 1.00 0.00 H new ATOM 677 N ASN A 43 -5.291 -6.144 3.829 1.00 0.00 N ATOM 678 CA ASN A 43 -5.392 -5.209 4.936 1.00 0.00 C ATOM 679 C ASN A 43 -4.382 -4.113 4.599 1.00 0.00 C ATOM 680 O ASN A 43 -4.765 -2.961 4.504 1.00 0.00 O ATOM 681 CB ASN A 43 -5.085 -5.924 6.271 1.00 0.00 C ATOM 682 CG ASN A 43 -5.728 -5.196 7.437 1.00 0.00 C ATOM 683 OD1 ASN A 43 -6.830 -5.519 7.863 1.00 0.00 O ATOM 684 ND2 ASN A 43 -5.107 -4.192 8.011 1.00 0.00 N ATOM 0 H ASN A 43 -4.939 -7.065 4.090 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.390 -4.791 5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.451 -6.950 6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.007 -5.976 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.543 -3.702 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.188 -3.902 7.676 1.00 0.00 H new ATOM 691 N LEU A 44 -3.107 -4.444 4.363 1.00 0.00 N ATOM 692 CA LEU A 44 -2.085 -3.465 3.975 1.00 0.00 C ATOM 693 C LEU A 44 -2.464 -2.507 2.841 1.00 0.00 C ATOM 694 O LEU A 44 -2.027 -1.355 2.748 1.00 0.00 O ATOM 695 CB LEU A 44 -0.730 -4.162 3.681 1.00 0.00 C ATOM 696 CG LEU A 44 -0.333 -5.464 4.378 1.00 0.00 C ATOM 697 CD1 LEU A 44 0.956 -6.003 3.744 1.00 0.00 C ATOM 698 CD2 LEU A 44 -0.038 -5.211 5.858 1.00 0.00 C ATOM 0 H LEU A 44 -2.755 -5.398 4.436 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.992 -2.820 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.699 -4.355 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.053 -3.435 3.897 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.155 -6.172 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.244 -6.931 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.788 -6.192 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.753 -5.269 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.243 -6.148 6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.781 -4.497 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.927 -4.807 6.342 1.00 0.00 H new ATOM 710 N LEU A 45 -3.340 -2.993 1.979 1.00 0.00 N ATOM 711 CA LEU A 45 -3.809 -2.252 0.820 1.00 0.00 C ATOM 712 C LEU A 45 -4.775 -1.207 1.329 1.00 0.00 C ATOM 713 O LEU A 45 -4.636 -0.008 1.098 1.00 0.00 O ATOM 714 CB LEU A 45 -4.502 -3.171 -0.212 1.00 0.00 C ATOM 715 CG LEU A 45 -5.309 -2.404 -1.301 1.00 0.00 C ATOM 716 CD1 LEU A 45 -4.485 -1.314 -2.007 1.00 0.00 C ATOM 717 CD2 LEU A 45 -5.880 -3.363 -2.351 1.00 0.00 C ATOM 0 H LEU A 45 -3.750 -3.923 2.065 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.964 -1.796 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.747 -3.787 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.174 -3.849 0.314 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.124 -1.914 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.104 -0.817 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.144 -0.583 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.623 -1.768 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.438 -2.796 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.064 -3.898 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.545 -4.078 -1.867 1.00 0.00 H new ATOM 729 N ALA A 46 -5.767 -1.713 2.068 1.00 0.00 N ATOM 730 CA ALA A 46 -6.756 -0.839 2.672 1.00 0.00 C ATOM 731 C ALA A 46 -6.081 0.196 3.572 1.00 0.00 C ATOM 732 O ALA A 46 -6.505 1.355 3.638 1.00 0.00 O ATOM 733 CB ALA A 46 -7.759 -1.694 3.461 1.00 0.00 C ATOM 0 H ALA A 46 -5.899 -2.707 2.256 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.289 -0.293 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.507 -1.047 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.250 -2.395 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.233 -2.248 4.239 1.00 0.00 H new ATOM 739 N GLU A 47 -5.003 -0.249 4.230 1.00 0.00 N ATOM 740 CA GLU A 47 -4.255 0.596 5.164 1.00 0.00 C ATOM 741 C GLU A 47 -3.612 1.769 4.446 1.00 0.00 C ATOM 742 O GLU A 47 -3.914 2.945 4.684 1.00 0.00 O ATOM 743 CB GLU A 47 -3.182 -0.235 5.926 1.00 0.00 C ATOM 744 CG GLU A 47 -3.747 -1.226 6.983 1.00 0.00 C ATOM 745 CD GLU A 47 -2.666 -2.156 7.533 1.00 0.00 C ATOM 746 OE1 GLU A 47 -1.952 -1.765 8.456 1.00 0.00 O ATOM 747 OE2 GLU A 47 -2.560 -3.289 7.062 1.00 0.00 O ATOM 0 H GLU A 47 -4.630 -1.193 4.131 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.962 0.993 5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.596 -0.798 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.498 0.452 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.194 -0.665 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.542 -1.821 6.533 1.00 0.00 H new ATOM 754 N ALA A 48 -2.717 1.439 3.518 1.00 0.00 N ATOM 755 CA ALA A 48 -2.057 2.460 2.715 1.00 0.00 C ATOM 756 C ALA A 48 -3.080 3.398 2.071 1.00 0.00 C ATOM 757 O ALA A 48 -2.955 4.627 2.044 1.00 0.00 O ATOM 758 CB ALA A 48 -1.239 1.725 1.648 1.00 0.00 C ATOM 0 H ALA A 48 -2.435 0.482 3.306 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.412 3.082 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.724 2.452 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.506 1.080 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.904 1.120 1.032 1.00 0.00 H new ATOM 764 N LYS A 49 -4.142 2.778 1.557 1.00 0.00 N ATOM 765 CA LYS A 49 -5.224 3.528 0.954 1.00 0.00 C ATOM 766 C LYS A 49 -5.839 4.501 1.957 1.00 0.00 C ATOM 767 O LYS A 49 -6.113 5.646 1.642 1.00 0.00 O ATOM 768 CB LYS A 49 -6.261 2.531 0.404 1.00 0.00 C ATOM 769 CG LYS A 49 -7.307 3.191 -0.522 1.00 0.00 C ATOM 770 CD LYS A 49 -6.509 3.870 -1.633 1.00 0.00 C ATOM 771 CE LYS A 49 -7.238 4.156 -2.941 1.00 0.00 C ATOM 772 NZ LYS A 49 -6.201 4.567 -3.870 1.00 0.00 N ATOM 0 H LYS A 49 -4.269 1.766 1.550 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.846 4.135 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.744 1.744 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.774 2.053 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.992 2.448 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.911 3.915 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.127 4.815 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.645 3.245 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.762 3.271 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.985 4.939 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.639 4.926 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.625 5.318 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.595 3.753 -4.096 1.00 0.00 H new ATOM 786 N LYS A 50 -6.038 4.078 3.209 1.00 0.00 N ATOM 787 CA LYS A 50 -6.625 4.933 4.233 1.00 0.00 C ATOM 788 C LYS A 50 -5.694 6.115 4.471 1.00 0.00 C ATOM 789 O LYS A 50 -6.129 7.246 4.670 1.00 0.00 O ATOM 790 CB LYS A 50 -6.877 4.119 5.512 1.00 0.00 C ATOM 791 CG LYS A 50 -8.367 3.870 5.849 1.00 0.00 C ATOM 792 CD LYS A 50 -9.127 2.806 5.017 1.00 0.00 C ATOM 793 CE LYS A 50 -9.621 3.246 3.623 1.00 0.00 C ATOM 794 NZ LYS A 50 -8.551 3.243 2.643 1.00 0.00 N ATOM 0 H LYS A 50 -5.798 3.142 3.534 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.591 5.320 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.377 3.156 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.412 4.637 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.430 3.582 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.897 4.817 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.475 1.942 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.989 2.473 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.417 2.579 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.050 4.246 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.306 4.222 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.716 2.768 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.863 2.737 1.790 1.00 0.00 H new ATOM 808 N LEU A 51 -4.386 5.859 4.446 1.00 0.00 N ATOM 809 CA LEU A 51 -3.409 6.933 4.602 1.00 0.00 C ATOM 810 C LEU A 51 -3.582 7.980 3.492 1.00 0.00 C ATOM 811 O LEU A 51 -3.676 9.185 3.719 1.00 0.00 O ATOM 812 CB LEU A 51 -1.987 6.352 4.626 1.00 0.00 C ATOM 813 CG LEU A 51 -1.753 5.408 5.815 1.00 0.00 C ATOM 814 CD1 LEU A 51 -0.302 4.958 5.821 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.046 6.090 7.157 1.00 0.00 C ATOM 0 H LEU A 51 -3.984 4.930 4.321 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.577 7.438 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.804 5.812 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.266 7.168 4.668 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.431 4.562 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.132 4.288 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.079 4.435 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.348 5.828 5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.867 5.386 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.393 6.955 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.086 6.415 7.181 1.00 0.00 H new ATOM 827 N ASN A 52 -3.641 7.468 2.262 1.00 0.00 N ATOM 828 CA ASN A 52 -3.855 8.216 1.026 1.00 0.00 C ATOM 829 C ASN A 52 -5.065 9.143 1.106 1.00 0.00 C ATOM 830 O ASN A 52 -5.050 10.328 0.777 1.00 0.00 O ATOM 831 CB ASN A 52 -3.981 7.091 -0.053 1.00 0.00 C ATOM 832 CG ASN A 52 -4.867 7.305 -1.276 1.00 0.00 C ATOM 833 OD1 ASN A 52 -4.860 6.503 -2.204 1.00 0.00 O ATOM 834 ND2 ASN A 52 -5.742 8.267 -1.387 1.00 0.00 N ATOM 0 H ASN A 52 -3.535 6.468 2.094 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.047 8.910 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.976 6.874 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.338 6.194 0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.354 8.309 -2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.814 8.977 -0.658 1.00 0.00 H new ATOM 841 N ASP A 53 -6.137 8.509 1.555 1.00 0.00 N ATOM 842 CA ASP A 53 -7.420 9.162 1.773 1.00 0.00 C ATOM 843 C ASP A 53 -7.316 10.254 2.840 1.00 0.00 C ATOM 844 O ASP A 53 -7.746 11.390 2.654 1.00 0.00 O ATOM 845 CB ASP A 53 -8.457 8.073 2.182 1.00 0.00 C ATOM 846 CG ASP A 53 -8.558 6.914 1.188 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.174 7.073 0.024 1.00 0.00 O ATOM 848 OD2 ASP A 53 -8.995 5.833 1.603 1.00 0.00 O ATOM 0 H ASP A 53 -6.141 7.514 1.781 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.742 9.654 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.188 7.677 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.437 8.538 2.285 1.00 0.00 H new ATOM 853 N ALA A 54 -6.716 9.920 3.983 1.00 0.00 N ATOM 854 CA ALA A 54 -6.529 10.833 5.098 1.00 0.00 C ATOM 855 C ALA A 54 -5.746 12.083 4.719 1.00 0.00 C ATOM 856 O ALA A 54 -6.109 13.200 5.095 1.00 0.00 O ATOM 857 CB ALA A 54 -5.806 10.055 6.207 1.00 0.00 C ATOM 0 H ALA A 54 -6.341 8.988 4.158 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.503 11.190 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.646 10.708 7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.414 9.202 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.844 9.702 5.836 1.00 0.00 H new ATOM 863 N GLN A 55 -4.660 11.912 3.978 1.00 0.00 N ATOM 864 CA GLN A 55 -3.877 13.056 3.530 1.00 0.00 C ATOM 865 C GLN A 55 -4.470 13.768 2.305 1.00 0.00 C ATOM 866 O GLN A 55 -3.816 14.641 1.727 1.00 0.00 O ATOM 867 CB GLN A 55 -2.429 12.598 3.291 1.00 0.00 C ATOM 868 CG GLN A 55 -2.274 11.650 2.086 1.00 0.00 C ATOM 869 CD GLN A 55 -0.835 11.188 1.965 1.00 0.00 C ATOM 870 OE1 GLN A 55 0.109 11.946 2.148 1.00 0.00 O ATOM 871 NE2 GLN A 55 -0.573 9.938 1.664 1.00 0.00 N ATOM 0 H GLN A 55 -4.304 11.005 3.677 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.899 13.811 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.800 13.475 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.063 12.097 4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.931 10.789 2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.578 12.159 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.337 9.281 1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.394 9.624 1.589 1.00 0.00 H new ATOM 880 N ALA A 56 -5.689 13.440 1.858 1.00 0.00 N ATOM 881 CA ALA A 56 -6.298 14.128 0.724 1.00 0.00 C ATOM 882 C ALA A 56 -6.820 15.540 1.077 1.00 0.00 C ATOM 883 O ALA A 56 -6.607 16.007 2.199 1.00 0.00 O ATOM 884 CB ALA A 56 -7.419 13.194 0.224 1.00 0.00 C ATOM 0 H ALA A 56 -6.267 12.705 2.266 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.558 14.315 -0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.920 13.651 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.989 12.238 -0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.141 13.032 1.024 1.00 0.00 H new