USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 384 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 43 SER OG : rot -83:sc= 1.2 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: A 16 CYS SG : rot -147:sc= 1.7 USER MOD Set 2.2: A 19 CYS SG : rot -137:sc= -0.472 USER MOD Set 2.3: A 49 CYS SG : rot -40:sc= 1.19 USER MOD Set 2.4: A 52 CYS SG : rot -7:sc= 1.53 USER MOD Set 3.1: A 8 GLN : amide:sc= 1.04 K(o=2,f=0.96) USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0.985 USER MOD Single : A 10 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-0.88) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00654) USER MOD Single : A 14 CYS SG : rot -120:sc= 0.134 USER MOD Single : A 17 CYS SG : rot -28:sc= 0.0539 USER MOD Single : A 18 LYS NZ :NH3+ 139:sc= 1.21 (180deg=1.05) USER MOD Single : A 26 THR OG1 : rot 111:sc= 0.896 USER MOD Single : A 29 SER OG : rot 175:sc= 0.867 USER MOD Single : A 36 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 38 GLN : amide:sc= 1.38 K(o=1.4,f=-7!) USER MOD Single : A 39 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.21) USER MOD Single : A 46 SER OG : rot 140:sc= 0 USER MOD Single : A 54 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 55 ASN : amide:sc= 1.12 K(o=1.1,f=-0.052) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 9.229 -3.400 -2.190 1.00 0.00 N ATOM 93 CA GLN A 8 8.328 -3.149 -1.097 1.00 0.00 C ATOM 94 C GLN A 8 7.362 -1.984 -1.363 1.00 0.00 C ATOM 95 O GLN A 8 6.156 -2.207 -1.383 1.00 0.00 O ATOM 96 CB GLN A 8 9.132 -3.042 0.186 1.00 0.00 C ATOM 97 CG GLN A 8 9.983 -4.275 0.530 1.00 0.00 C ATOM 98 CD GLN A 8 9.180 -5.569 0.642 1.00 0.00 C ATOM 99 OE1 GLN A 8 8.226 -5.651 1.402 1.00 0.00 O ATOM 100 NE2 GLN A 8 9.546 -6.605 -0.102 1.00 0.00 N ATOM 0 HA GLN A 8 7.648 -3.993 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.789 -2.176 0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.446 -2.852 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.750 -4.400 -0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.499 -4.096 1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.344 -6.524 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.029 -7.483 -0.044 1.00 0.00 H new ATOM 109 N ARG A 9 7.869 -0.755 -1.502 1.00 0.00 N ATOM 110 CA ARG A 9 7.172 0.519 -1.605 1.00 0.00 C ATOM 111 C ARG A 9 6.256 0.567 -2.828 1.00 0.00 C ATOM 112 O ARG A 9 6.632 1.054 -3.896 1.00 0.00 O ATOM 113 CB ARG A 9 8.250 1.618 -1.564 1.00 0.00 C ATOM 114 CG ARG A 9 7.748 2.992 -1.175 1.00 0.00 C ATOM 115 CD ARG A 9 7.241 3.859 -2.332 1.00 0.00 C ATOM 116 NE ARG A 9 8.171 4.055 -3.468 1.00 0.00 N ATOM 117 CZ ARG A 9 9.494 4.284 -3.489 1.00 0.00 C ATOM 118 NH1 ARG A 9 10.258 4.333 -2.402 1.00 0.00 N ATOM 119 NH2 ARG A 9 10.117 4.464 -4.645 1.00 0.00 N ATOM 0 H ARG A 9 8.879 -0.621 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 9 6.485 0.673 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.026 1.318 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.718 1.683 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.941 2.874 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.554 3.525 -0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.323 3.413 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.977 4.839 -1.934 1.00 0.00 H new ATOM 0 HE ARG A 9 7.733 4.008 -4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.844 4.192 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.258 4.512 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.591 4.429 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.122 4.638 -4.661 1.00 0.00 H new ATOM 133 N HIS A 10 5.033 0.069 -2.657 1.00 0.00 N ATOM 134 CA HIS A 10 4.057 -0.143 -3.718 1.00 0.00 C ATOM 135 C HIS A 10 2.782 0.640 -3.393 1.00 0.00 C ATOM 136 O HIS A 10 2.478 0.876 -2.225 1.00 0.00 O ATOM 137 CB HIS A 10 3.759 -1.645 -3.858 1.00 0.00 C ATOM 138 CG HIS A 10 4.938 -2.556 -4.145 1.00 0.00 C ATOM 139 ND1 HIS A 10 5.020 -3.887 -3.801 1.00 0.00 N ATOM 140 CD2 HIS A 10 6.135 -2.224 -4.727 1.00 0.00 C ATOM 141 CE1 HIS A 10 6.222 -4.342 -4.190 1.00 0.00 C ATOM 142 NE2 HIS A 10 6.938 -3.369 -4.766 1.00 0.00 N ATOM 0 H HIS A 10 4.684 -0.208 -1.740 1.00 0.00 H new ATOM 0 HA HIS A 10 4.456 0.215 -4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.285 -1.984 -2.937 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.029 -1.773 -4.658 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.410 -1.246 -5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.565 -5.357 -4.056 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.878 -3.446 -5.154 1.00 0.00 H new ATOM 150 N LYS A 11 2.021 1.044 -4.419 1.00 0.00 N ATOM 151 CA LYS A 11 0.872 1.933 -4.259 1.00 0.00 C ATOM 152 C LYS A 11 -0.348 1.293 -4.902 1.00 0.00 C ATOM 153 O LYS A 11 -0.470 1.292 -6.126 1.00 0.00 O ATOM 154 CB LYS A 11 1.160 3.341 -4.809 1.00 0.00 C ATOM 155 CG LYS A 11 2.426 3.979 -4.205 1.00 0.00 C ATOM 156 CD LYS A 11 3.692 3.814 -5.065 1.00 0.00 C ATOM 157 CE LYS A 11 3.993 5.060 -5.911 1.00 0.00 C ATOM 158 NZ LYS A 11 2.885 5.425 -6.822 1.00 0.00 N ATOM 0 H LYS A 11 2.189 0.760 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 11 0.668 2.069 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.270 3.286 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.304 3.985 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.243 5.042 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.608 3.539 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.543 3.604 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.572 2.953 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.202 5.900 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.895 4.884 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.160 6.252 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.677 4.625 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.038 5.655 -6.264 1.00 0.00 H new ATOM 172 N ILE A 12 -1.220 0.716 -4.075 1.00 0.00 N ATOM 173 CA ILE A 12 -2.408 -0.013 -4.506 1.00 0.00 C ATOM 174 C ILE A 12 -3.615 0.860 -4.168 1.00 0.00 C ATOM 175 O ILE A 12 -4.018 0.950 -3.016 1.00 0.00 O ATOM 176 CB ILE A 12 -2.472 -1.403 -3.833 1.00 0.00 C ATOM 177 CG1 ILE A 12 -1.241 -2.274 -4.180 1.00 0.00 C ATOM 178 CG2 ILE A 12 -3.783 -2.105 -4.247 1.00 0.00 C ATOM 179 CD1 ILE A 12 -1.111 -3.485 -3.250 1.00 0.00 C ATOM 0 H ILE A 12 -1.115 0.745 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.389 -0.207 -5.578 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.458 -1.265 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.319 -2.617 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.338 -1.667 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.835 -3.086 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.634 -1.504 -3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.807 -2.221 -5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.233 -4.067 -3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.005 -3.143 -2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.002 -4.107 -3.336 1.00 0.00 H new ATOM 191 N LEU A 13 -4.189 1.541 -5.154 1.00 0.00 N ATOM 192 CA LEU A 13 -5.384 2.343 -4.966 1.00 0.00 C ATOM 193 C LEU A 13 -6.605 1.434 -4.826 1.00 0.00 C ATOM 194 O LEU A 13 -7.090 0.879 -5.811 1.00 0.00 O ATOM 195 CB LEU A 13 -5.498 3.375 -6.093 1.00 0.00 C ATOM 196 CG LEU A 13 -6.461 4.526 -5.732 1.00 0.00 C ATOM 197 CD1 LEU A 13 -5.905 5.816 -6.339 1.00 0.00 C ATOM 198 CD2 LEU A 13 -7.888 4.287 -6.240 1.00 0.00 C ATOM 0 H LEU A 13 -3.833 1.550 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.324 2.911 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.511 3.784 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.847 2.883 -7.001 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.525 4.592 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.568 6.647 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.914 6.013 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.836 5.709 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.521 5.128 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.876 4.191 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.283 3.372 -5.799 1.00 0.00 H new ATOM 210 N CYS A 14 -7.075 1.270 -3.590 1.00 0.00 N ATOM 211 CA CYS A 14 -8.349 0.658 -3.252 1.00 0.00 C ATOM 212 C CYS A 14 -9.392 1.773 -3.058 1.00 0.00 C ATOM 213 O CYS A 14 -9.093 2.962 -3.221 1.00 0.00 O ATOM 214 CB CYS A 14 -8.142 -0.199 -1.991 1.00 0.00 C ATOM 215 SG CYS A 14 -9.520 -1.353 -1.720 1.00 0.00 S ATOM 0 H CYS A 14 -6.554 1.574 -2.767 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.719 0.005 -4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.212 -0.760 -2.082 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.038 0.452 -1.123 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.072 -1.107 -0.569 1.00 0.00 H new ATOM 221 N VAL A 15 -10.619 1.398 -2.689 1.00 0.00 N ATOM 222 CA VAL A 15 -11.675 2.335 -2.339 1.00 0.00 C ATOM 223 C VAL A 15 -12.380 1.892 -1.058 1.00 0.00 C ATOM 224 O VAL A 15 -12.368 0.716 -0.679 1.00 0.00 O ATOM 225 CB VAL A 15 -12.674 2.545 -3.504 1.00 0.00 C ATOM 226 CG1 VAL A 15 -12.021 3.279 -4.683 1.00 0.00 C ATOM 227 CG2 VAL A 15 -13.311 1.235 -3.995 1.00 0.00 C ATOM 0 H VAL A 15 -10.905 0.421 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.213 3.304 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.472 3.165 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.752 3.408 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.668 4.256 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.179 2.695 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.001 1.449 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.530 0.560 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.854 0.765 -3.175 1.00 0.00 H new ATOM 237 N CYS A 16 -13.035 2.855 -0.408 1.00 0.00 N ATOM 238 CA CYS A 16 -14.020 2.602 0.624 1.00 0.00 C ATOM 239 C CYS A 16 -15.284 2.110 -0.078 1.00 0.00 C ATOM 240 O CYS A 16 -16.054 2.922 -0.582 1.00 0.00 O ATOM 241 CB CYS A 16 -14.327 3.904 1.366 1.00 0.00 C ATOM 242 SG CYS A 16 -15.481 3.628 2.731 1.00 0.00 S ATOM 0 H CYS A 16 -12.887 3.847 -0.593 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.656 1.867 1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.402 4.332 1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.750 4.630 0.671 1.00 0.00 H new ATOM 0 HG CYS A 16 -16.229 4.680 2.886 1.00 0.00 H new ATOM 247 N CYS A 17 -15.519 0.800 -0.119 1.00 0.00 N ATOM 248 CA CYS A 17 -16.605 0.196 -0.894 1.00 0.00 C ATOM 249 C CYS A 17 -18.011 0.727 -0.530 1.00 0.00 C ATOM 250 O CYS A 17 -18.938 0.559 -1.317 1.00 0.00 O ATOM 251 CB CYS A 17 -16.479 -1.330 -0.753 1.00 0.00 C ATOM 252 SG CYS A 17 -17.569 -2.240 -1.881 1.00 0.00 S ATOM 0 H CYS A 17 -14.955 0.119 0.390 1.00 0.00 H new ATOM 0 HA CYS A 17 -16.500 0.485 -1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -15.446 -1.622 -0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -16.709 -1.614 0.274 1.00 0.00 H new ATOM 0 HG CYS A 17 -18.622 -1.523 -2.139 1.00 0.00 H new ATOM 258 N LYS A 18 -18.190 1.415 0.612 1.00 0.00 N ATOM 259 CA LYS A 18 -19.469 2.004 0.997 1.00 0.00 C ATOM 260 C LYS A 18 -19.615 3.483 0.619 1.00 0.00 C ATOM 261 O LYS A 18 -20.747 3.957 0.608 1.00 0.00 O ATOM 262 CB LYS A 18 -19.759 1.742 2.481 1.00 0.00 C ATOM 263 CG LYS A 18 -18.651 2.143 3.464 1.00 0.00 C ATOM 264 CD LYS A 18 -19.127 2.099 4.925 1.00 0.00 C ATOM 265 CE LYS A 18 -19.690 0.738 5.349 1.00 0.00 C ATOM 266 NZ LYS A 18 -20.077 0.750 6.774 1.00 0.00 N ATOM 0 H LYS A 18 -17.445 1.574 1.290 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.234 1.500 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -20.669 2.276 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -19.963 0.679 2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.799 1.474 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.304 3.149 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.293 2.356 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.893 2.861 5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.556 0.491 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.945 -0.038 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.976 0.242 6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.338 0.284 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.190 1.733 7.095 1.00 0.00 H new ATOM 280 N CYS A 19 -18.538 4.211 0.276 1.00 0.00 N ATOM 281 CA CYS A 19 -18.623 5.589 -0.182 1.00 0.00 C ATOM 282 C CYS A 19 -17.866 5.864 -1.492 1.00 0.00 C ATOM 283 O CYS A 19 -17.839 7.007 -1.942 1.00 0.00 O ATOM 284 CB CYS A 19 -18.146 6.483 0.957 1.00 0.00 C ATOM 285 SG CYS A 19 -16.367 6.557 1.297 1.00 0.00 S ATOM 0 H CYS A 19 -17.585 3.849 0.312 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.661 5.808 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.488 7.497 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.646 6.157 1.869 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.168 6.514 2.581 1.00 0.00 H new ATOM 290 N ASP A 20 -17.239 4.838 -2.080 1.00 0.00 N ATOM 291 CA ASP A 20 -16.316 4.868 -3.218 1.00 0.00 C ATOM 292 C ASP A 20 -15.154 5.860 -3.037 1.00 0.00 C ATOM 293 O ASP A 20 -14.534 6.310 -3.999 1.00 0.00 O ATOM 294 CB ASP A 20 -17.099 5.032 -4.527 1.00 0.00 C ATOM 295 CG ASP A 20 -16.263 4.657 -5.758 1.00 0.00 C ATOM 296 OD1 ASP A 20 -15.561 3.621 -5.680 1.00 0.00 O ATOM 297 OD2 ASP A 20 -16.388 5.367 -6.780 1.00 0.00 O ATOM 0 H ASP A 20 -17.377 3.886 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.809 3.905 -3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.992 4.408 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.435 6.065 -4.620 1.00 0.00 H new ATOM 302 N GLY A 21 -14.837 6.208 -1.782 1.00 0.00 N ATOM 303 CA GLY A 21 -13.758 7.140 -1.487 1.00 0.00 C ATOM 304 C GLY A 21 -12.416 6.499 -1.808 1.00 0.00 C ATOM 305 O GLY A 21 -12.216 5.309 -1.576 1.00 0.00 O ATOM 0 H GLY A 21 -15.319 5.852 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.884 8.052 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.791 7.427 -0.436 1.00 0.00 H new ATOM 309 N ARG A 22 -11.501 7.319 -2.317 1.00 0.00 N ATOM 310 CA ARG A 22 -10.184 6.956 -2.836 1.00 0.00 C ATOM 311 C ARG A 22 -9.254 6.570 -1.690 1.00 0.00 C ATOM 312 O ARG A 22 -8.957 7.427 -0.858 1.00 0.00 O ATOM 313 CB ARG A 22 -9.658 8.176 -3.615 1.00 0.00 C ATOM 314 CG ARG A 22 -8.260 8.023 -4.239 1.00 0.00 C ATOM 315 CD ARG A 22 -7.182 8.849 -3.515 1.00 0.00 C ATOM 316 NE ARG A 22 -5.960 8.956 -4.331 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.699 9.076 -3.889 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.404 9.279 -2.608 1.00 0.00 N ATOM 319 NH2 ARG A 22 -3.676 8.950 -4.727 1.00 0.00 N ATOM 0 H ARG A 22 -11.671 8.323 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.239 6.090 -3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.366 8.408 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.642 9.033 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.975 6.971 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.300 8.327 -5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.567 9.845 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.945 8.384 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.087 8.937 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.151 9.349 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.430 9.364 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.846 8.761 -5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.720 9.043 -4.383 1.00 0.00 H new ATOM 333 N ILE A 23 -8.753 5.327 -1.661 1.00 0.00 N ATOM 334 CA ILE A 23 -7.821 4.875 -0.632 1.00 0.00 C ATOM 335 C ILE A 23 -6.562 4.331 -1.312 1.00 0.00 C ATOM 336 O ILE A 23 -6.455 3.152 -1.643 1.00 0.00 O ATOM 337 CB ILE A 23 -8.454 3.870 0.359 1.00 0.00 C ATOM 338 CG1 ILE A 23 -9.843 4.327 0.856 1.00 0.00 C ATOM 339 CG2 ILE A 23 -7.494 3.719 1.554 1.00 0.00 C ATOM 340 CD1 ILE A 23 -10.489 3.334 1.819 1.00 0.00 C ATOM 0 H ILE A 23 -8.985 4.612 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.545 5.726 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.603 2.920 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.746 5.293 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.500 4.473 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.914 3.015 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.531 3.348 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.356 4.688 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.462 3.712 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.616 2.373 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.850 3.207 2.693 1.00 0.00 H new ATOM 352 N GLU A 24 -5.592 5.218 -1.516 1.00 0.00 N ATOM 353 CA GLU A 24 -4.249 4.884 -1.958 1.00 0.00 C ATOM 354 C GLU A 24 -3.526 4.099 -0.863 1.00 0.00 C ATOM 355 O GLU A 24 -3.022 4.682 0.099 1.00 0.00 O ATOM 356 CB GLU A 24 -3.544 6.196 -2.290 1.00 0.00 C ATOM 357 CG GLU A 24 -2.092 6.071 -2.762 1.00 0.00 C ATOM 358 CD GLU A 24 -1.326 7.366 -2.473 1.00 0.00 C ATOM 359 OE1 GLU A 24 -1.831 8.443 -2.889 1.00 0.00 O ATOM 360 OE2 GLU A 24 -0.255 7.259 -1.831 1.00 0.00 O ATOM 0 H GLU A 24 -5.727 6.219 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.260 4.248 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.115 6.708 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.565 6.832 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.609 5.234 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.067 5.856 -3.830 1.00 0.00 H new ATOM 367 N LEU A 25 -3.454 2.774 -1.008 1.00 0.00 N ATOM 368 CA LEU A 25 -2.641 1.929 -0.148 1.00 0.00 C ATOM 369 C LEU A 25 -1.198 2.033 -0.645 1.00 0.00 C ATOM 370 O LEU A 25 -0.679 1.119 -1.288 1.00 0.00 O ATOM 371 CB LEU A 25 -3.161 0.474 -0.100 1.00 0.00 C ATOM 372 CG LEU A 25 -4.688 0.321 0.033 1.00 0.00 C ATOM 373 CD1 LEU A 25 -5.064 -1.164 0.000 1.00 0.00 C ATOM 374 CD2 LEU A 25 -5.196 0.960 1.327 1.00 0.00 C ATOM 0 H LEU A 25 -3.961 2.261 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.697 2.270 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.839 -0.039 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.688 -0.035 0.739 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.158 0.835 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.145 -1.268 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.739 -1.601 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.576 -1.681 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.277 0.837 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.722 0.477 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.951 2.022 1.329 1.00 0.00 H new ATOM 386 N THR A 26 -0.560 3.175 -0.379 1.00 0.00 N ATOM 387 CA THR A 26 0.892 3.281 -0.397 1.00 0.00 C ATOM 388 C THR A 26 1.395 2.474 0.798 1.00 0.00 C ATOM 389 O THR A 26 1.284 2.910 1.944 1.00 0.00 O ATOM 390 CB THR A 26 1.362 4.747 -0.432 1.00 0.00 C ATOM 391 OG1 THR A 26 1.061 5.247 -1.719 1.00 0.00 O ATOM 392 CG2 THR A 26 2.886 4.862 -0.254 1.00 0.00 C ATOM 0 H THR A 26 -1.037 4.046 -0.147 1.00 0.00 H new ATOM 0 HA THR A 26 1.321 2.866 -1.309 1.00 0.00 H new ATOM 0 HB THR A 26 0.870 5.293 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.339 5.907 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.178 5.912 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.174 4.433 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.388 4.322 -1.057 1.00 0.00 H new ATOM 400 N VAL A 27 1.886 1.267 0.517 1.00 0.00 N ATOM 401 CA VAL A 27 2.385 0.306 1.492 1.00 0.00 C ATOM 402 C VAL A 27 3.821 -0.071 1.126 1.00 0.00 C ATOM 403 O VAL A 27 4.301 0.246 0.039 1.00 0.00 O ATOM 404 CB VAL A 27 1.453 -0.928 1.557 1.00 0.00 C ATOM 405 CG1 VAL A 27 0.069 -0.546 2.101 1.00 0.00 C ATOM 406 CG2 VAL A 27 1.295 -1.650 0.205 1.00 0.00 C ATOM 0 H VAL A 27 1.948 0.920 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 27 2.391 0.748 2.488 1.00 0.00 H new ATOM 0 HB VAL A 27 1.938 -1.626 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.565 -1.432 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.174 -0.135 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.385 0.200 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.629 -2.504 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.874 -0.962 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.270 -1.995 -0.139 1.00 0.00 H new ATOM 416 N GLU A 28 4.498 -0.797 2.013 1.00 0.00 N ATOM 417 CA GLU A 28 5.773 -1.431 1.726 1.00 0.00 C ATOM 418 C GLU A 28 5.560 -2.926 1.957 1.00 0.00 C ATOM 419 O GLU A 28 5.496 -3.355 3.107 1.00 0.00 O ATOM 420 CB GLU A 28 6.907 -0.792 2.545 1.00 0.00 C ATOM 421 CG GLU A 28 7.512 0.413 1.810 1.00 0.00 C ATOM 422 CD GLU A 28 8.491 1.278 2.610 1.00 0.00 C ATOM 423 OE1 GLU A 28 8.834 0.906 3.753 1.00 0.00 O ATOM 424 OE2 GLU A 28 8.895 2.314 2.032 1.00 0.00 O ATOM 0 H GLU A 28 4.167 -0.961 2.964 1.00 0.00 H new ATOM 0 HA GLU A 28 6.100 -1.283 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.524 -0.475 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.684 -1.533 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.027 0.048 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.696 1.049 1.467 1.00 0.00 H new ATOM 431 N SER A 29 5.344 -3.694 0.877 1.00 0.00 N ATOM 432 CA SER A 29 5.158 -5.141 0.965 1.00 0.00 C ATOM 433 C SER A 29 5.636 -5.829 -0.310 1.00 0.00 C ATOM 434 O SER A 29 5.657 -5.227 -1.383 1.00 0.00 O ATOM 435 CB SER A 29 3.688 -5.492 1.201 1.00 0.00 C ATOM 436 OG SER A 29 3.612 -6.772 1.785 1.00 0.00 O ATOM 0 H SER A 29 5.295 -3.327 -0.073 1.00 0.00 H new ATOM 0 HA SER A 29 5.750 -5.493 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.224 -4.752 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.140 -5.475 0.259 1.00 0.00 H new ATOM 0 HG SER A 29 2.680 -6.972 2.014 1.00 0.00 H new ATOM 442 N SER A 30 5.984 -7.110 -0.207 1.00 0.00 N ATOM 443 CA SER A 30 6.518 -7.895 -1.312 1.00 0.00 C ATOM 444 C SER A 30 5.466 -8.127 -2.402 1.00 0.00 C ATOM 445 O SER A 30 4.259 -8.029 -2.170 1.00 0.00 O ATOM 446 CB SER A 30 7.032 -9.232 -0.765 1.00 0.00 C ATOM 447 OG SER A 30 8.090 -9.013 0.149 1.00 0.00 O ATOM 0 H SER A 30 5.901 -7.638 0.662 1.00 0.00 H new ATOM 0 HA SER A 30 7.337 -7.342 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.221 -9.767 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.376 -9.861 -1.586 1.00 0.00 H new ATOM 0 HG SER A 30 8.409 -9.874 0.492 1.00 0.00 H new ATOM 453 N ALA A 31 5.947 -8.499 -3.596 1.00 0.00 N ATOM 454 CA ALA A 31 5.131 -8.714 -4.785 1.00 0.00 C ATOM 455 C ALA A 31 3.978 -9.681 -4.536 1.00 0.00 C ATOM 456 O ALA A 31 2.874 -9.449 -5.014 1.00 0.00 O ATOM 457 CB ALA A 31 6.010 -9.276 -5.906 1.00 0.00 C ATOM 0 H ALA A 31 6.941 -8.661 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 31 4.705 -7.750 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.404 -9.438 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.807 -8.568 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.446 -10.223 -5.587 1.00 0.00 H new ATOM 463 N GLU A 32 4.243 -10.775 -3.823 1.00 0.00 N ATOM 464 CA GLU A 32 3.293 -11.863 -3.654 1.00 0.00 C ATOM 465 C GLU A 32 2.147 -11.472 -2.713 1.00 0.00 C ATOM 466 O GLU A 32 0.988 -11.821 -2.953 1.00 0.00 O ATOM 467 CB GLU A 32 4.062 -13.081 -3.132 1.00 0.00 C ATOM 468 CG GLU A 32 3.480 -14.361 -3.731 1.00 0.00 C ATOM 469 CD GLU A 32 4.176 -15.600 -3.167 1.00 0.00 C ATOM 470 OE1 GLU A 32 5.206 -15.992 -3.760 1.00 0.00 O ATOM 471 OE2 GLU A 32 3.682 -16.123 -2.145 1.00 0.00 O ATOM 0 H GLU A 32 5.131 -10.928 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 32 2.827 -12.101 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.117 -12.995 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.004 -13.119 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.412 -14.412 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.589 -14.341 -4.815 1.00 0.00 H new ATOM 478 N ASP A 33 2.460 -10.698 -1.668 1.00 0.00 N ATOM 479 CA ASP A 33 1.472 -10.097 -0.789 1.00 0.00 C ATOM 480 C ASP A 33 0.691 -9.026 -1.546 1.00 0.00 C ATOM 481 O ASP A 33 -0.535 -9.036 -1.510 1.00 0.00 O ATOM 482 CB ASP A 33 2.145 -9.520 0.455 1.00 0.00 C ATOM 483 CG ASP A 33 1.132 -8.778 1.329 1.00 0.00 C ATOM 484 OD1 ASP A 33 0.131 -9.409 1.728 1.00 0.00 O ATOM 485 OD2 ASP A 33 1.394 -7.579 1.588 1.00 0.00 O ATOM 0 H ASP A 33 3.422 -10.473 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 33 0.771 -10.863 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.607 -10.323 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.943 -8.840 0.159 1.00 0.00 H new ATOM 490 N LEU A 34 1.375 -8.166 -2.317 1.00 0.00 N ATOM 491 CA LEU A 34 0.705 -7.236 -3.231 1.00 0.00 C ATOM 492 C LEU A 34 -0.269 -7.991 -4.140 1.00 0.00 C ATOM 493 O LEU A 34 -1.406 -7.559 -4.306 1.00 0.00 O ATOM 494 CB LEU A 34 1.741 -6.398 -4.008 1.00 0.00 C ATOM 495 CG LEU A 34 1.190 -5.677 -5.267 1.00 0.00 C ATOM 496 CD1 LEU A 34 1.901 -4.332 -5.458 1.00 0.00 C ATOM 497 CD2 LEU A 34 1.417 -6.489 -6.555 1.00 0.00 C ATOM 0 H LEU A 34 2.393 -8.098 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 34 0.108 -6.528 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.161 -5.651 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.560 -7.050 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 34 0.120 -5.550 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.507 -3.835 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.732 -3.704 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.971 -4.500 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.014 -5.941 -7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.485 -6.650 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.913 -7.452 -6.472 1.00 0.00 H new ATOM 509 N ARG A 35 0.151 -9.122 -4.712 1.00 0.00 N ATOM 510 CA ARG A 35 -0.671 -9.927 -5.610 1.00 0.00 C ATOM 511 C ARG A 35 -1.888 -10.468 -4.860 1.00 0.00 C ATOM 512 O ARG A 35 -3.021 -10.329 -5.319 1.00 0.00 O ATOM 513 CB ARG A 35 0.173 -11.065 -6.219 1.00 0.00 C ATOM 514 CG ARG A 35 -0.260 -11.422 -7.645 1.00 0.00 C ATOM 515 CD ARG A 35 0.232 -10.381 -8.670 1.00 0.00 C ATOM 516 NE ARG A 35 -0.874 -9.744 -9.404 1.00 0.00 N ATOM 517 CZ ARG A 35 -1.433 -10.128 -10.557 1.00 0.00 C ATOM 518 NH1 ARG A 35 -1.034 -11.231 -11.193 1.00 0.00 N ATOM 519 NH2 ARG A 35 -2.415 -9.381 -11.052 1.00 0.00 N ATOM 0 H ARG A 35 1.084 -9.507 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.033 -9.305 -6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.223 -10.771 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.094 -11.949 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.131 -12.405 -7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.347 -11.490 -7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.811 -9.614 -8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.904 -10.864 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.264 -8.903 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.286 -11.803 -10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.477 -11.502 -12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.720 -8.544 -10.554 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.864 -9.645 -11.929 1.00 0.00 H new ATOM 533 N THR A 36 -1.652 -11.049 -3.690 1.00 0.00 N ATOM 534 CA THR A 36 -2.685 -11.616 -2.842 1.00 0.00 C ATOM 535 C THR A 36 -3.687 -10.536 -2.428 1.00 0.00 C ATOM 536 O THR A 36 -4.896 -10.744 -2.533 1.00 0.00 O ATOM 537 CB THR A 36 -2.011 -12.266 -1.620 1.00 0.00 C ATOM 538 OG1 THR A 36 -1.009 -13.178 -2.035 1.00 0.00 O ATOM 539 CG2 THR A 36 -3.010 -13.035 -0.749 1.00 0.00 C ATOM 0 H THR A 36 -0.714 -11.139 -3.298 1.00 0.00 H new ATOM 0 HA THR A 36 -3.244 -12.378 -3.385 1.00 0.00 H new ATOM 0 HB THR A 36 -1.580 -11.452 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.141 -12.724 -2.054 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.488 -13.476 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.779 -12.352 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.475 -13.825 -1.339 1.00 0.00 H new ATOM 547 N LEU A 37 -3.211 -9.370 -1.980 1.00 0.00 N ATOM 548 CA LEU A 37 -4.082 -8.371 -1.397 1.00 0.00 C ATOM 549 C LEU A 37 -4.793 -7.645 -2.526 1.00 0.00 C ATOM 550 O LEU A 37 -5.980 -7.364 -2.393 1.00 0.00 O ATOM 551 CB LEU A 37 -3.322 -7.470 -0.401 1.00 0.00 C ATOM 552 CG LEU A 37 -2.622 -6.216 -0.970 1.00 0.00 C ATOM 553 CD1 LEU A 37 -3.582 -5.012 -0.996 1.00 0.00 C ATOM 554 CD2 LEU A 37 -1.400 -5.851 -0.118 1.00 0.00 C ATOM 0 H LEU A 37 -2.227 -9.104 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.854 -8.830 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.026 -7.145 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.568 -8.080 0.098 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.308 -6.449 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.064 -4.142 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.443 -5.246 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.920 -4.794 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.919 -4.965 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.717 -5.646 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.694 -6.682 -0.119 1.00 0.00 H new ATOM 566 N GLN A 38 -4.138 -7.415 -3.674 1.00 0.00 N ATOM 567 CA GLN A 38 -4.836 -6.795 -4.779 1.00 0.00 C ATOM 568 C GLN A 38 -5.950 -7.738 -5.236 1.00 0.00 C ATOM 569 O GLN A 38 -7.029 -7.268 -5.567 1.00 0.00 O ATOM 570 CB GLN A 38 -3.872 -6.342 -5.881 1.00 0.00 C ATOM 571 CG GLN A 38 -3.430 -7.419 -6.884 1.00 0.00 C ATOM 572 CD GLN A 38 -2.517 -6.913 -7.999 1.00 0.00 C ATOM 573 OE1 GLN A 38 -2.495 -7.485 -9.088 1.00 0.00 O ATOM 574 NE2 GLN A 38 -1.700 -5.898 -7.759 1.00 0.00 N ATOM 0 H GLN A 38 -3.159 -7.644 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.311 -5.866 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.343 -5.531 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.981 -5.929 -5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.915 -8.212 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.318 -7.865 -7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.723 -5.428 -6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.048 -5.587 -8.479 1.00 0.00 H new ATOM 583 N GLN A 39 -5.734 -9.060 -5.179 1.00 0.00 N ATOM 584 CA GLN A 39 -6.754 -10.027 -5.549 1.00 0.00 C ATOM 585 C GLN A 39 -7.920 -10.002 -4.565 1.00 0.00 C ATOM 586 O GLN A 39 -9.062 -9.873 -4.996 1.00 0.00 O ATOM 587 CB GLN A 39 -6.134 -11.404 -5.683 1.00 0.00 C ATOM 588 CG GLN A 39 -5.464 -11.342 -7.054 1.00 0.00 C ATOM 589 CD GLN A 39 -4.600 -12.524 -7.376 1.00 0.00 C ATOM 590 OE1 GLN A 39 -4.708 -13.618 -6.838 1.00 0.00 O ATOM 591 NE2 GLN A 39 -3.720 -12.298 -8.328 1.00 0.00 N ATOM 0 H GLN A 39 -4.853 -9.477 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.169 -9.756 -6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.414 -11.602 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.885 -12.192 -5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.236 -11.253 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.857 -10.438 -7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.657 -11.374 -8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.101 -13.047 -8.639 1.00 0.00 H new ATOM 600 N LEU A 40 -7.655 -10.088 -3.254 1.00 0.00 N ATOM 601 CA LEU A 40 -8.717 -10.077 -2.242 1.00 0.00 C ATOM 602 C LEU A 40 -9.522 -8.778 -2.284 1.00 0.00 C ATOM 603 O LEU A 40 -10.751 -8.817 -2.171 1.00 0.00 O ATOM 604 CB LEU A 40 -8.145 -10.276 -0.828 1.00 0.00 C ATOM 605 CG LEU A 40 -7.522 -11.662 -0.577 1.00 0.00 C ATOM 606 CD1 LEU A 40 -6.891 -11.680 0.820 1.00 0.00 C ATOM 607 CD2 LEU A 40 -8.550 -12.793 -0.706 1.00 0.00 C ATOM 0 H LEU A 40 -6.713 -10.166 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.381 -10.909 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.388 -9.514 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.942 -10.113 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.762 -11.835 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.447 -12.658 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.118 -10.914 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.658 -11.481 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.063 -13.750 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.348 -12.644 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.971 -12.789 -1.711 1.00 0.00 H new ATOM 619 N PHE A 41 -8.837 -7.640 -2.451 1.00 0.00 N ATOM 620 CA PHE A 41 -9.466 -6.328 -2.450 1.00 0.00 C ATOM 621 C PHE A 41 -10.044 -5.966 -3.828 1.00 0.00 C ATOM 622 O PHE A 41 -10.826 -5.021 -3.917 1.00 0.00 O ATOM 623 CB PHE A 41 -8.493 -5.265 -1.912 1.00 0.00 C ATOM 624 CG PHE A 41 -8.250 -5.292 -0.402 1.00 0.00 C ATOM 625 CD1 PHE A 41 -7.426 -6.263 0.202 1.00 0.00 C ATOM 626 CD2 PHE A 41 -8.826 -4.302 0.417 1.00 0.00 C ATOM 627 CE1 PHE A 41 -7.130 -6.212 1.574 1.00 0.00 C ATOM 628 CE2 PHE A 41 -8.570 -4.277 1.799 1.00 0.00 C ATOM 629 CZ PHE A 41 -7.704 -5.216 2.377 1.00 0.00 C ATOM 0 H PHE A 41 -7.827 -7.611 -2.591 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.319 -6.359 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.535 -5.386 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.874 -4.280 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.015 -7.060 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.471 -3.554 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.461 -6.939 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.043 -3.530 2.419 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.481 -5.173 3.433 1.00 0.00 H new ATOM 639 N LEU A 42 -9.720 -6.715 -4.896 1.00 0.00 N ATOM 640 CA LEU A 42 -10.492 -6.685 -6.142 1.00 0.00 C ATOM 641 C LEU A 42 -11.703 -7.619 -6.063 1.00 0.00 C ATOM 642 O LEU A 42 -12.736 -7.320 -6.655 1.00 0.00 O ATOM 643 CB LEU A 42 -9.612 -7.100 -7.335 1.00 0.00 C ATOM 644 CG LEU A 42 -8.697 -5.975 -7.861 1.00 0.00 C ATOM 645 CD1 LEU A 42 -7.633 -6.568 -8.796 1.00 0.00 C ATOM 646 CD2 LEU A 42 -9.487 -4.904 -8.629 1.00 0.00 C ATOM 0 H LEU A 42 -8.923 -7.351 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.841 -5.663 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.995 -7.948 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.255 -7.441 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.230 -5.504 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.988 -5.771 -9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.033 -7.296 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.121 -7.059 -9.638 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.804 -4.131 -8.982 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.987 -5.363 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.231 -4.457 -7.969 1.00 0.00 H new ATOM 658 N SER A 43 -11.572 -8.754 -5.367 1.00 0.00 N ATOM 659 CA SER A 43 -12.599 -9.778 -5.244 1.00 0.00 C ATOM 660 C SER A 43 -13.805 -9.255 -4.472 1.00 0.00 C ATOM 661 O SER A 43 -14.913 -9.203 -5.000 1.00 0.00 O ATOM 662 CB SER A 43 -11.992 -11.003 -4.534 1.00 0.00 C ATOM 663 OG SER A 43 -12.970 -11.949 -4.131 1.00 0.00 O ATOM 0 H SER A 43 -10.718 -8.986 -4.860 1.00 0.00 H new ATOM 0 HA SER A 43 -12.946 -10.061 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.279 -11.487 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.434 -10.670 -3.659 1.00 0.00 H new ATOM 0 HG SER A 43 -13.358 -11.674 -3.274 1.00 0.00 H new ATOM 669 N THR A 44 -13.588 -8.978 -3.185 1.00 0.00 N ATOM 670 CA THR A 44 -14.635 -8.907 -2.191 1.00 0.00 C ATOM 671 C THR A 44 -14.292 -7.996 -1.015 1.00 0.00 C ATOM 672 O THR A 44 -15.164 -7.282 -0.519 1.00 0.00 O ATOM 673 CB THR A 44 -14.950 -10.329 -1.670 1.00 0.00 C ATOM 674 OG1 THR A 44 -13.791 -11.150 -1.619 1.00 0.00 O ATOM 675 CG2 THR A 44 -16.007 -11.049 -2.507 1.00 0.00 C ATOM 0 H THR A 44 -12.658 -8.795 -2.808 1.00 0.00 H new ATOM 0 HA THR A 44 -15.506 -8.473 -2.681 1.00 0.00 H new ATOM 0 HB THR A 44 -15.339 -10.175 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.034 -12.038 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.185 -12.041 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.935 -10.477 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.656 -11.143 -3.535 1.00 0.00 H new ATOM 683 N LEU A 45 -13.045 -8.042 -0.540 1.00 0.00 N ATOM 684 CA LEU A 45 -12.601 -7.246 0.596 1.00 0.00 C ATOM 685 C LEU A 45 -12.483 -5.773 0.173 1.00 0.00 C ATOM 686 O LEU A 45 -12.339 -5.472 -1.010 1.00 0.00 O ATOM 687 CB LEU A 45 -11.280 -7.857 1.100 1.00 0.00 C ATOM 688 CG LEU A 45 -10.754 -7.343 2.452 1.00 0.00 C ATOM 689 CD1 LEU A 45 -11.794 -7.420 3.577 1.00 0.00 C ATOM 690 CD2 LEU A 45 -9.545 -8.196 2.861 1.00 0.00 C ATOM 0 H LEU A 45 -12.316 -8.635 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.314 -7.263 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.410 -8.937 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.513 -7.679 0.346 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.495 -6.293 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.358 -7.042 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.662 -6.816 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.102 -8.456 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.159 -7.845 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.850 -9.239 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.767 -8.111 2.103 1.00 0.00 H new ATOM 702 N SER A 46 -12.535 -4.834 1.120 1.00 0.00 N ATOM 703 CA SER A 46 -12.295 -3.426 0.873 1.00 0.00 C ATOM 704 C SER A 46 -11.631 -2.797 2.089 1.00 0.00 C ATOM 705 O SER A 46 -11.576 -3.406 3.158 1.00 0.00 O ATOM 706 CB SER A 46 -13.612 -2.745 0.537 1.00 0.00 C ATOM 707 OG SER A 46 -14.586 -2.903 1.549 1.00 0.00 O ATOM 0 H SER A 46 -12.750 -5.043 2.095 1.00 0.00 H new ATOM 0 HA SER A 46 -11.621 -3.301 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.434 -1.682 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.997 -3.151 -0.398 1.00 0.00 H new ATOM 0 HG SER A 46 -15.079 -2.064 1.662 1.00 0.00 H new ATOM 713 N PHE A 47 -11.140 -1.568 1.923 1.00 0.00 N ATOM 714 CA PHE A 47 -10.327 -0.882 2.930 1.00 0.00 C ATOM 715 C PHE A 47 -11.148 0.182 3.667 1.00 0.00 C ATOM 716 O PHE A 47 -10.607 1.218 4.036 1.00 0.00 O ATOM 717 CB PHE A 47 -9.047 -0.326 2.279 1.00 0.00 C ATOM 718 CG PHE A 47 -7.810 -0.443 3.163 1.00 0.00 C ATOM 719 CD1 PHE A 47 -7.549 0.507 4.172 1.00 0.00 C ATOM 720 CD2 PHE A 47 -6.907 -1.509 2.981 1.00 0.00 C ATOM 721 CE1 PHE A 47 -6.421 0.375 5.002 1.00 0.00 C ATOM 722 CE2 PHE A 47 -5.781 -1.645 3.811 1.00 0.00 C ATOM 723 CZ PHE A 47 -5.539 -0.705 4.826 1.00 0.00 C ATOM 0 H PHE A 47 -11.296 -1.016 1.080 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.012 -1.594 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.866 -0.856 1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.204 0.723 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.220 1.342 4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.082 -2.229 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.232 1.105 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.102 -2.472 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.678 -0.812 5.469 1.00 0.00 H new ATOM 733 N VAL A 48 -12.459 -0.059 3.822 1.00 0.00 N ATOM 734 CA VAL A 48 -13.485 0.850 4.334 1.00 0.00 C ATOM 735 C VAL A 48 -12.915 1.914 5.283 1.00 0.00 C ATOM 736 O VAL A 48 -12.495 1.604 6.399 1.00 0.00 O ATOM 737 CB VAL A 48 -14.686 0.051 4.897 1.00 0.00 C ATOM 738 CG1 VAL A 48 -14.300 -1.070 5.878 1.00 0.00 C ATOM 739 CG2 VAL A 48 -15.726 0.964 5.563 1.00 0.00 C ATOM 0 H VAL A 48 -12.855 -0.965 3.572 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.876 1.435 3.502 1.00 0.00 H new ATOM 0 HB VAL A 48 -15.120 -0.424 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.201 -1.578 6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.650 -1.786 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.775 -0.642 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.550 0.360 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.261 1.504 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.106 1.677 4.831 1.00 0.00 H new ATOM 749 N CYS A 49 -12.831 3.154 4.779 1.00 0.00 N ATOM 750 CA CYS A 49 -12.009 4.205 5.364 1.00 0.00 C ATOM 751 C CYS A 49 -12.418 4.473 6.817 1.00 0.00 C ATOM 752 O CYS A 49 -13.605 4.376 7.136 1.00 0.00 O ATOM 753 CB CYS A 49 -12.101 5.484 4.514 1.00 0.00 C ATOM 754 SG CYS A 49 -13.769 6.125 4.186 1.00 0.00 S ATOM 0 H CYS A 49 -13.339 3.451 3.946 1.00 0.00 H new ATOM 0 HA CYS A 49 -10.971 3.873 5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.527 6.266 5.012 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.615 5.293 3.557 1.00 0.00 H new ATOM 0 HG CYS A 49 -14.574 5.134 3.941 1.00 0.00 H new ATOM 759 N PRO A 50 -11.480 4.880 7.695 1.00 0.00 N ATOM 760 CA PRO A 50 -11.757 5.024 9.120 1.00 0.00 C ATOM 761 C PRO A 50 -12.836 6.073 9.410 1.00 0.00 C ATOM 762 O PRO A 50 -13.558 5.946 10.402 1.00 0.00 O ATOM 763 CB PRO A 50 -10.415 5.352 9.783 1.00 0.00 C ATOM 764 CG PRO A 50 -9.561 5.900 8.641 1.00 0.00 C ATOM 765 CD PRO A 50 -10.073 5.131 7.425 1.00 0.00 C ATOM 0 HA PRO A 50 -12.173 4.103 9.529 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.533 6.086 10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.963 4.466 10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.690 6.976 8.521 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.499 5.724 8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.945 5.710 6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.526 4.198 7.290 1.00 0.00 H new ATOM 773 N TRP A 51 -13.002 7.069 8.528 1.00 0.00 N ATOM 774 CA TRP A 51 -14.121 7.993 8.597 1.00 0.00 C ATOM 775 C TRP A 51 -15.444 7.231 8.460 1.00 0.00 C ATOM 776 O TRP A 51 -16.272 7.313 9.366 1.00 0.00 O ATOM 777 CB TRP A 51 -13.984 9.109 7.554 1.00 0.00 C ATOM 778 CG TRP A 51 -15.075 10.135 7.641 1.00 0.00 C ATOM 779 CD1 TRP A 51 -15.119 11.172 8.511 1.00 0.00 C ATOM 780 CD2 TRP A 51 -16.328 10.192 6.894 1.00 0.00 C ATOM 781 NE1 TRP A 51 -16.318 11.843 8.370 1.00 0.00 N ATOM 782 CE2 TRP A 51 -17.113 11.267 7.402 1.00 0.00 C ATOM 783 CE3 TRP A 51 -16.891 9.426 5.852 1.00 0.00 C ATOM 784 CZ2 TRP A 51 -18.403 11.546 6.928 1.00 0.00 C ATOM 785 CZ3 TRP A 51 -18.180 9.699 5.360 1.00 0.00 C ATOM 786 CH2 TRP A 51 -18.940 10.752 5.901 1.00 0.00 C ATOM 0 H TRP A 51 -12.363 7.248 7.754 1.00 0.00 H new ATOM 0 HA TRP A 51 -14.117 8.478 9.573 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -13.020 9.601 7.682 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -13.987 8.668 6.557 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -14.337 11.434 9.208 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -16.583 12.664 8.915 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -16.321 8.614 5.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -18.976 12.360 7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -18.589 9.097 4.562 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -19.934 10.950 5.528 1.00 0.00 H new ATOM 797 N CYS A 52 -15.644 6.464 7.380 1.00 0.00 N ATOM 798 CA CYS A 52 -16.857 5.668 7.216 1.00 0.00 C ATOM 799 C CYS A 52 -16.977 4.594 8.298 1.00 0.00 C ATOM 800 O CYS A 52 -18.077 4.349 8.776 1.00 0.00 O ATOM 801 CB CYS A 52 -16.919 5.018 5.834 1.00 0.00 C ATOM 802 SG CYS A 52 -17.235 6.151 4.473 1.00 0.00 S ATOM 0 H CYS A 52 -14.980 6.381 6.611 1.00 0.00 H new ATOM 0 HA CYS A 52 -17.697 6.355 7.316 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.975 4.505 5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -17.699 4.257 5.842 1.00 0.00 H new ATOM 0 HG CYS A 52 -17.506 7.332 4.945 1.00 0.00 H new ATOM 807 N ALA A 53 -15.872 3.976 8.727 1.00 0.00 N ATOM 808 CA ALA A 53 -15.905 3.016 9.829 1.00 0.00 C ATOM 809 C ALA A 53 -16.423 3.658 11.126 1.00 0.00 C ATOM 810 O ALA A 53 -17.095 2.990 11.908 1.00 0.00 O ATOM 811 CB ALA A 53 -14.520 2.400 10.039 1.00 0.00 C ATOM 0 H ALA A 53 -14.946 4.125 8.327 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.603 2.223 9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.560 1.687 10.863 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.209 1.886 9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.804 3.187 10.275 1.00 0.00 H new ATOM 817 N THR A 54 -16.127 4.946 11.345 1.00 0.00 N ATOM 818 CA THR A 54 -16.578 5.707 12.507 1.00 0.00 C ATOM 819 C THR A 54 -18.028 6.188 12.330 1.00 0.00 C ATOM 820 O THR A 54 -18.823 6.080 13.260 1.00 0.00 O ATOM 821 CB THR A 54 -15.620 6.892 12.744 1.00 0.00 C ATOM 822 OG1 THR A 54 -14.278 6.447 12.797 1.00 0.00 O ATOM 823 CG2 THR A 54 -15.908 7.628 14.057 1.00 0.00 C ATOM 0 H THR A 54 -15.555 5.495 10.703 1.00 0.00 H new ATOM 0 HA THR A 54 -16.563 5.059 13.383 1.00 0.00 H new ATOM 0 HB THR A 54 -15.777 7.573 11.907 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.842 6.620 11.937 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.205 8.453 14.174 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.925 8.019 14.040 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.799 6.937 14.893 1.00 0.00 H new ATOM 831 N ASN A 55 -18.367 6.757 11.165 1.00 0.00 N ATOM 832 CA ASN A 55 -19.651 7.437 10.933 1.00 0.00 C ATOM 833 C ASN A 55 -20.770 6.455 10.583 1.00 0.00 C ATOM 834 O ASN A 55 -21.931 6.760 10.850 1.00 0.00 O ATOM 835 CB ASN A 55 -19.515 8.498 9.824 1.00 0.00 C ATOM 836 CG ASN A 55 -18.724 9.709 10.296 1.00 0.00 C ATOM 837 OD1 ASN A 55 -19.277 10.753 10.618 1.00 0.00 O ATOM 838 ND2 ASN A 55 -17.410 9.585 10.366 1.00 0.00 N ATOM 0 H ASN A 55 -17.754 6.759 10.350 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.922 7.928 11.868 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.022 8.057 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.506 8.815 9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.841 10.366 10.692 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.965 8.708 10.094 1.00 0.00 H new ATOM 845 N GLN A 56 -20.386 5.303 10.016 1.00 0.00 N ATOM 846 CA GLN A 56 -21.110 4.113 9.573 1.00 0.00 C ATOM 847 C GLN A 56 -21.193 4.080 8.044 1.00 0.00 C ATOM 848 O GLN A 56 -21.299 2.946 7.523 1.00 0.00 O ATOM 849 CB GLN A 56 -22.463 3.971 10.272 1.00 0.00 C ATOM 850 CG GLN A 56 -23.084 2.573 10.124 1.00 0.00 C ATOM 851 CD GLN A 56 -24.300 2.376 11.030 1.00 0.00 C ATOM 852 OE1 GLN A 56 -25.406 2.121 10.569 1.00 0.00 O ATOM 853 NE2 GLN A 56 -24.123 2.465 12.343 1.00 0.00 N ATOM 0 H GLN A 56 -19.392 5.171 9.830 1.00 0.00 H new ATOM 0 HA GLN A 56 -20.549 3.228 9.874 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.341 4.196 11.332 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.152 4.711 9.866 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.379 2.417 9.086 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -22.333 1.818 10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.199 2.678 12.720 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -24.911 2.321 12.975 1.00 0.00 H new