USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=15 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 -87:sc= 1.24 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: A 16 CYS SG : rot -80:sc= 1.49 USER MOD Set 2.2: A 19 CYS SG : rot -70:sc= 0.333 USER MOD Set 2.3: A 49 CYS SG : rot -54:sc= 0.946 USER MOD Set 2.4: A 52 CYS SG : rot 124:sc= 0.417 USER MOD Single : A 8 GLN : amide:sc= 0.976 K(o=0.98,f=-0.0084) USER MOD Single : A 10 HIS : no HD1:sc= -0.0277 K(o=-0.028,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.274 USER MOD Single : A 17 CYS SG : rot -30:sc= 0.00141 USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= -0.293 (180deg=-0.345) USER MOD Single : A 26 THR OG1 : rot 140:sc= 0.842 USER MOD Single : A 29 SER OG : rot -73:sc= 1.18 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 38 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.024) USER MOD Single : A 39 GLN : amide:sc= 1.06 K(o=1.1,f=-0.098) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 73:sc= 0.644 USER MOD Single : A 55 ASN : amide:sc= 1.12 K(o=1.1,f=-0.031) USER MOD Single : A 56 GLN : amide:sc= 1.17 K(o=1.2,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 9.302 -2.803 -2.318 1.00 0.00 N ATOM 93 CA GLN A 8 8.579 -2.532 -1.102 1.00 0.00 C ATOM 94 C GLN A 8 7.530 -1.447 -1.313 1.00 0.00 C ATOM 95 O GLN A 8 6.380 -1.824 -1.529 1.00 0.00 O ATOM 96 CB GLN A 8 9.549 -2.413 0.073 1.00 0.00 C ATOM 97 CG GLN A 8 9.710 -3.758 0.805 1.00 0.00 C ATOM 98 CD GLN A 8 10.342 -4.854 -0.061 1.00 0.00 C ATOM 99 OE1 GLN A 8 11.550 -5.049 -0.042 1.00 0.00 O ATOM 100 NE2 GLN A 8 9.560 -5.600 -0.837 1.00 0.00 N ATOM 0 HA GLN A 8 7.953 -3.373 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.520 -2.074 -0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.187 -1.658 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.324 -3.608 1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.732 -4.096 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.553 -5.438 -0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.967 -6.334 -1.416 1.00 0.00 H new ATOM 109 N ARG A 9 7.876 -0.157 -1.224 1.00 0.00 N ATOM 110 CA ARG A 9 6.940 0.968 -1.322 1.00 0.00 C ATOM 111 C ARG A 9 6.066 0.865 -2.566 1.00 0.00 C ATOM 112 O ARG A 9 6.491 1.201 -3.669 1.00 0.00 O ATOM 113 CB ARG A 9 7.656 2.324 -1.298 1.00 0.00 C ATOM 114 CG ARG A 9 8.001 2.806 0.092 1.00 0.00 C ATOM 115 CD ARG A 9 6.802 3.283 0.928 1.00 0.00 C ATOM 116 NE ARG A 9 7.162 3.332 2.352 1.00 0.00 N ATOM 117 CZ ARG A 9 7.735 4.305 3.065 1.00 0.00 C ATOM 118 NH1 ARG A 9 7.888 5.536 2.576 1.00 0.00 N ATOM 119 NH2 ARG A 9 8.162 3.993 4.283 1.00 0.00 N ATOM 0 H ARG A 9 8.841 0.140 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 9 6.302 0.908 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.571 2.252 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.024 3.067 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.500 1.998 0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.717 3.624 0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.485 4.270 0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.957 2.610 0.782 1.00 0.00 H new ATOM 0 HE ARG A 9 6.939 2.488 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.564 5.755 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.329 6.259 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.046 3.043 4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.606 4.703 4.865 1.00 0.00 H new ATOM 133 N HIS A 10 4.819 0.458 -2.353 1.00 0.00 N ATOM 134 CA HIS A 10 3.807 0.352 -3.402 1.00 0.00 C ATOM 135 C HIS A 10 2.585 1.156 -2.962 1.00 0.00 C ATOM 136 O HIS A 10 2.203 1.097 -1.795 1.00 0.00 O ATOM 137 CB HIS A 10 3.441 -1.117 -3.677 1.00 0.00 C ATOM 138 CG HIS A 10 4.574 -2.030 -4.101 1.00 0.00 C ATOM 139 ND1 HIS A 10 4.638 -3.379 -3.827 1.00 0.00 N ATOM 140 CD2 HIS A 10 5.712 -1.705 -4.801 1.00 0.00 C ATOM 141 CE1 HIS A 10 5.800 -3.844 -4.317 1.00 0.00 C ATOM 142 NE2 HIS A 10 6.481 -2.867 -4.931 1.00 0.00 N ATOM 0 H HIS A 10 4.476 0.188 -1.431 1.00 0.00 H new ATOM 0 HA HIS A 10 4.197 0.754 -4.337 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.990 -1.530 -2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.677 -1.138 -4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.967 -0.727 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.139 -4.866 -4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.382 -2.953 -5.401 1.00 0.00 H new ATOM 150 N LYS A 11 1.971 1.908 -3.885 1.00 0.00 N ATOM 151 CA LYS A 11 0.875 2.831 -3.585 1.00 0.00 C ATOM 152 C LYS A 11 -0.359 2.404 -4.370 1.00 0.00 C ATOM 153 O LYS A 11 -0.610 2.899 -5.467 1.00 0.00 O ATOM 154 CB LYS A 11 1.288 4.292 -3.844 1.00 0.00 C ATOM 155 CG LYS A 11 2.594 4.679 -3.126 1.00 0.00 C ATOM 156 CD LYS A 11 2.730 6.190 -2.890 1.00 0.00 C ATOM 157 CE LYS A 11 2.742 6.992 -4.194 1.00 0.00 C ATOM 158 NZ LYS A 11 2.768 8.445 -3.921 1.00 0.00 N ATOM 0 H LYS A 11 2.227 1.890 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 11 0.628 2.786 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.409 4.446 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.488 4.955 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.641 4.162 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.442 4.332 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.905 6.532 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.650 6.386 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.613 6.714 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.860 6.745 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.776 8.967 -4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.924 8.711 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.622 8.681 -3.377 1.00 0.00 H new ATOM 172 N ILE A 12 -1.090 1.429 -3.832 1.00 0.00 N ATOM 173 CA ILE A 12 -2.188 0.777 -4.539 1.00 0.00 C ATOM 174 C ILE A 12 -3.463 1.554 -4.225 1.00 0.00 C ATOM 175 O ILE A 12 -4.025 1.412 -3.148 1.00 0.00 O ATOM 176 CB ILE A 12 -2.316 -0.698 -4.119 1.00 0.00 C ATOM 177 CG1 ILE A 12 -0.996 -1.491 -4.239 1.00 0.00 C ATOM 178 CG2 ILE A 12 -3.468 -1.355 -4.900 1.00 0.00 C ATOM 179 CD1 ILE A 12 -1.050 -2.762 -3.387 1.00 0.00 C ATOM 0 H ILE A 12 -0.936 1.069 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.002 0.780 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.551 -0.720 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.817 -1.753 -5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.161 -0.868 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.559 -2.400 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.400 -0.833 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.262 -1.298 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.111 -3.306 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.206 -2.493 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.872 -3.393 -3.726 1.00 0.00 H new ATOM 191 N LEU A 13 -3.919 2.402 -5.137 1.00 0.00 N ATOM 192 CA LEU A 13 -5.111 3.214 -4.976 1.00 0.00 C ATOM 193 C LEU A 13 -6.364 2.346 -5.135 1.00 0.00 C ATOM 194 O LEU A 13 -6.906 2.204 -6.228 1.00 0.00 O ATOM 195 CB LEU A 13 -5.058 4.412 -5.929 1.00 0.00 C ATOM 196 CG LEU A 13 -6.035 5.519 -5.478 1.00 0.00 C ATOM 197 CD1 LEU A 13 -5.323 6.865 -5.602 1.00 0.00 C ATOM 198 CD2 LEU A 13 -7.330 5.565 -6.297 1.00 0.00 C ATOM 0 H LEU A 13 -3.454 2.546 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.157 3.628 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.044 4.809 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.309 4.089 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.323 5.299 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.996 7.663 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.436 6.867 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.028 7.026 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.968 6.366 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.092 5.749 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.853 4.613 -6.205 1.00 0.00 H new ATOM 210 N CYS A 14 -6.791 1.748 -4.027 1.00 0.00 N ATOM 211 CA CYS A 14 -8.133 1.236 -3.817 1.00 0.00 C ATOM 212 C CYS A 14 -9.064 2.413 -3.444 1.00 0.00 C ATOM 213 O CYS A 14 -8.675 3.588 -3.494 1.00 0.00 O ATOM 214 CB CYS A 14 -8.043 0.158 -2.719 1.00 0.00 C ATOM 215 SG CYS A 14 -9.494 -0.934 -2.714 1.00 0.00 S ATOM 0 H CYS A 14 -6.184 1.603 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.554 0.778 -4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.142 -0.437 -2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.949 0.639 -1.746 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.365 -1.822 -1.774 1.00 0.00 H new ATOM 221 N VAL A 15 -10.304 2.111 -3.043 1.00 0.00 N ATOM 222 CA VAL A 15 -11.253 3.103 -2.546 1.00 0.00 C ATOM 223 C VAL A 15 -12.044 2.562 -1.351 1.00 0.00 C ATOM 224 O VAL A 15 -12.077 1.356 -1.093 1.00 0.00 O ATOM 225 CB VAL A 15 -12.189 3.609 -3.671 1.00 0.00 C ATOM 226 CG1 VAL A 15 -11.443 4.452 -4.715 1.00 0.00 C ATOM 227 CG2 VAL A 15 -12.946 2.465 -4.365 1.00 0.00 C ATOM 0 H VAL A 15 -10.676 1.162 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.680 3.962 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.921 4.247 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.143 4.783 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.998 5.321 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.658 3.851 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.588 2.874 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.231 1.773 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.557 1.936 -3.633 1.00 0.00 H new ATOM 237 N CYS A 16 -12.708 3.465 -0.622 1.00 0.00 N ATOM 238 CA CYS A 16 -13.723 3.119 0.357 1.00 0.00 C ATOM 239 C CYS A 16 -14.914 2.555 -0.405 1.00 0.00 C ATOM 240 O CYS A 16 -15.586 3.285 -1.133 1.00 0.00 O ATOM 241 CB CYS A 16 -14.152 4.350 1.155 1.00 0.00 C ATOM 242 SG CYS A 16 -15.334 3.896 2.451 1.00 0.00 S ATOM 0 H CYS A 16 -12.547 4.469 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.328 2.390 1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.277 4.822 1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.602 5.084 0.486 1.00 0.00 H new ATOM 0 HG CYS A 16 -16.519 3.766 1.932 1.00 0.00 H new ATOM 247 N CYS A 17 -15.181 1.264 -0.219 1.00 0.00 N ATOM 248 CA CYS A 17 -16.169 0.518 -0.990 1.00 0.00 C ATOM 249 C CYS A 17 -17.590 1.107 -0.894 1.00 0.00 C ATOM 250 O CYS A 17 -18.413 0.830 -1.763 1.00 0.00 O ATOM 251 CB CYS A 17 -16.113 -0.951 -0.538 1.00 0.00 C ATOM 252 SG CYS A 17 -16.899 -2.050 -1.746 1.00 0.00 S ATOM 0 H CYS A 17 -14.707 0.698 0.485 1.00 0.00 H new ATOM 0 HA CYS A 17 -15.920 0.592 -2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -15.074 -1.249 -0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -16.610 -1.055 0.427 1.00 0.00 H new ATOM 0 HG CYS A 17 -17.852 -1.412 -2.358 1.00 0.00 H new ATOM 258 N LYS A 18 -17.884 1.939 0.121 1.00 0.00 N ATOM 259 CA LYS A 18 -19.200 2.525 0.320 1.00 0.00 C ATOM 260 C LYS A 18 -19.301 4.026 0.038 1.00 0.00 C ATOM 261 O LYS A 18 -20.424 4.501 -0.106 1.00 0.00 O ATOM 262 CB LYS A 18 -19.727 2.158 1.707 1.00 0.00 C ATOM 263 CG LYS A 18 -18.893 2.605 2.918 1.00 0.00 C ATOM 264 CD LYS A 18 -19.728 2.581 4.214 1.00 0.00 C ATOM 265 CE LYS A 18 -20.364 1.208 4.479 1.00 0.00 C ATOM 266 NZ LYS A 18 -21.141 1.182 5.736 1.00 0.00 N ATOM 0 H LYS A 18 -17.202 2.219 0.826 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.843 2.086 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -20.726 2.581 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -19.833 1.074 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.028 1.951 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.511 3.612 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.092 2.852 5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.513 3.335 4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.016 0.946 3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.582 0.450 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.494 0.219 5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.531 1.472 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.945 1.837 5.661 1.00 0.00 H new ATOM 280 N CYS A 19 -18.194 4.777 -0.075 1.00 0.00 N ATOM 281 CA CYS A 19 -18.233 6.193 -0.401 1.00 0.00 C ATOM 282 C CYS A 19 -17.326 6.590 -1.572 1.00 0.00 C ATOM 283 O CYS A 19 -17.241 7.776 -1.877 1.00 0.00 O ATOM 284 CB CYS A 19 -17.901 6.985 0.860 1.00 0.00 C ATOM 285 SG CYS A 19 -16.172 7.020 1.396 1.00 0.00 S ATOM 0 H CYS A 19 -17.252 4.410 0.059 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.239 6.429 -0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.226 8.014 0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.498 6.581 1.678 1.00 0.00 H new ATOM 0 HG CYS A 19 -15.834 5.849 1.847 1.00 0.00 H new ATOM 290 N ASP A 20 -16.637 5.628 -2.203 1.00 0.00 N ATOM 291 CA ASP A 20 -15.641 5.827 -3.263 1.00 0.00 C ATOM 292 C ASP A 20 -14.473 6.735 -2.829 1.00 0.00 C ATOM 293 O ASP A 20 -13.754 7.296 -3.653 1.00 0.00 O ATOM 294 CB ASP A 20 -16.336 6.264 -4.563 1.00 0.00 C ATOM 295 CG ASP A 20 -15.430 6.140 -5.794 1.00 0.00 C ATOM 296 OD1 ASP A 20 -14.798 5.067 -5.927 1.00 0.00 O ATOM 297 OD2 ASP A 20 -15.435 7.083 -6.616 1.00 0.00 O ATOM 0 H ASP A 20 -16.767 4.642 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.158 4.872 -3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.229 5.658 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.665 7.298 -4.463 1.00 0.00 H new ATOM 302 N GLY A 21 -14.262 6.881 -1.513 1.00 0.00 N ATOM 303 CA GLY A 21 -13.196 7.714 -0.971 1.00 0.00 C ATOM 304 C GLY A 21 -11.828 7.130 -1.317 1.00 0.00 C ATOM 305 O GLY A 21 -11.674 5.919 -1.428 1.00 0.00 O ATOM 0 H GLY A 21 -14.829 6.422 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.278 8.725 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.302 7.790 0.111 1.00 0.00 H new ATOM 309 N ARG A 22 -10.823 7.996 -1.441 1.00 0.00 N ATOM 310 CA ARG A 22 -9.471 7.703 -1.909 1.00 0.00 C ATOM 311 C ARG A 22 -8.784 6.794 -0.893 1.00 0.00 C ATOM 312 O ARG A 22 -8.478 7.263 0.203 1.00 0.00 O ATOM 313 CB ARG A 22 -8.755 9.063 -2.070 1.00 0.00 C ATOM 314 CG ARG A 22 -7.386 9.093 -2.770 1.00 0.00 C ATOM 315 CD ARG A 22 -6.236 8.427 -1.990 1.00 0.00 C ATOM 316 NE ARG A 22 -4.857 8.909 -2.272 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.304 9.624 -3.267 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.985 10.064 -4.325 1.00 0.00 N ATOM 319 NH2 ARG A 22 -3.007 9.901 -3.181 1.00 0.00 N ATOM 0 H ARG A 22 -10.939 8.981 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.458 7.178 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.423 9.726 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.628 9.491 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.480 8.601 -3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.118 10.131 -2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.429 8.558 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.267 7.356 -2.190 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.185 8.638 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.981 9.862 -4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.510 10.603 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.468 9.573 -2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.551 10.441 -3.916 1.00 0.00 H new ATOM 333 N ILE A 23 -8.503 5.531 -1.241 1.00 0.00 N ATOM 334 CA ILE A 23 -7.721 4.655 -0.380 1.00 0.00 C ATOM 335 C ILE A 23 -6.512 4.199 -1.153 1.00 0.00 C ATOM 336 O ILE A 23 -6.449 3.119 -1.732 1.00 0.00 O ATOM 337 CB ILE A 23 -8.545 3.482 0.197 1.00 0.00 C ATOM 338 CG1 ILE A 23 -9.785 3.911 1.002 1.00 0.00 C ATOM 339 CG2 ILE A 23 -7.655 2.565 1.051 1.00 0.00 C ATOM 340 CD1 ILE A 23 -9.509 4.439 2.409 1.00 0.00 C ATOM 0 H ILE A 23 -8.809 5.100 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.399 5.210 0.501 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.922 2.940 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.311 4.683 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.459 3.058 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.253 1.745 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.851 2.162 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.229 3.137 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.450 4.712 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.015 3.666 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.865 5.316 2.349 1.00 0.00 H new ATOM 352 N GLU A 24 -5.498 5.043 -1.089 1.00 0.00 N ATOM 353 CA GLU A 24 -4.182 4.564 -1.371 1.00 0.00 C ATOM 354 C GLU A 24 -3.804 3.587 -0.263 1.00 0.00 C ATOM 355 O GLU A 24 -3.796 3.912 0.925 1.00 0.00 O ATOM 356 CB GLU A 24 -3.224 5.720 -1.579 1.00 0.00 C ATOM 357 CG GLU A 24 -2.670 6.314 -0.293 1.00 0.00 C ATOM 358 CD GLU A 24 -1.765 7.508 -0.576 1.00 0.00 C ATOM 359 OE1 GLU A 24 -2.310 8.534 -1.049 1.00 0.00 O ATOM 360 OE2 GLU A 24 -0.534 7.352 -0.371 1.00 0.00 O ATOM 0 H GLU A 24 -5.567 6.032 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.133 4.017 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.392 5.381 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.735 6.504 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.493 6.624 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.111 5.552 0.250 1.00 0.00 H new ATOM 367 N LEU A 25 -3.511 2.365 -0.668 1.00 0.00 N ATOM 368 CA LEU A 25 -2.784 1.423 0.136 1.00 0.00 C ATOM 369 C LEU A 25 -1.322 1.743 -0.164 1.00 0.00 C ATOM 370 O LEU A 25 -0.679 1.067 -0.970 1.00 0.00 O ATOM 371 CB LEU A 25 -3.170 -0.022 -0.207 1.00 0.00 C ATOM 372 CG LEU A 25 -4.670 -0.291 -0.440 1.00 0.00 C ATOM 373 CD1 LEU A 25 -4.856 -1.708 -0.993 1.00 0.00 C ATOM 374 CD2 LEU A 25 -5.430 -0.174 0.882 1.00 0.00 C ATOM 0 H LEU A 25 -3.780 2.001 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.001 1.506 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.626 -0.318 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.828 -0.669 0.601 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.055 0.440 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.917 -1.898 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.319 -1.804 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.464 -2.432 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.489 -0.365 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.040 -0.903 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.303 0.830 1.287 1.00 0.00 H new ATOM 386 N THR A 26 -0.823 2.837 0.415 1.00 0.00 N ATOM 387 CA THR A 26 0.611 3.082 0.457 1.00 0.00 C ATOM 388 C THR A 26 1.175 2.119 1.492 1.00 0.00 C ATOM 389 O THR A 26 1.131 2.369 2.696 1.00 0.00 O ATOM 390 CB THR A 26 0.970 4.562 0.654 1.00 0.00 C ATOM 391 OG1 THR A 26 0.592 5.215 -0.546 1.00 0.00 O ATOM 392 CG2 THR A 26 2.492 4.709 0.841 1.00 0.00 C ATOM 0 H THR A 26 -1.390 3.560 0.857 1.00 0.00 H new ATOM 0 HA THR A 26 1.081 2.881 -0.505 1.00 0.00 H new ATOM 0 HB THR A 26 0.471 4.980 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.191 6.084 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.742 5.761 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.807 4.142 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.006 4.328 -0.042 1.00 0.00 H new ATOM 400 N VAL A 27 1.640 0.980 0.988 1.00 0.00 N ATOM 401 CA VAL A 27 2.185 -0.124 1.750 1.00 0.00 C ATOM 402 C VAL A 27 3.637 -0.332 1.328 1.00 0.00 C ATOM 403 O VAL A 27 4.139 0.288 0.387 1.00 0.00 O ATOM 404 CB VAL A 27 1.319 -1.395 1.559 1.00 0.00 C ATOM 405 CG1 VAL A 27 -0.094 -1.191 2.123 1.00 0.00 C ATOM 406 CG2 VAL A 27 1.227 -1.874 0.098 1.00 0.00 C ATOM 0 H VAL A 27 1.644 0.799 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 27 2.166 0.099 2.817 1.00 0.00 H new ATOM 0 HB VAL A 27 1.833 -2.178 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.679 -2.099 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.032 -0.969 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.576 -0.361 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.604 -2.767 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.786 -1.088 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.226 -2.106 -0.272 1.00 0.00 H new ATOM 416 N GLU A 28 4.302 -1.255 2.008 1.00 0.00 N ATOM 417 CA GLU A 28 5.541 -1.856 1.561 1.00 0.00 C ATOM 418 C GLU A 28 5.276 -3.354 1.453 1.00 0.00 C ATOM 419 O GLU A 28 4.854 -3.969 2.430 1.00 0.00 O ATOM 420 CB GLU A 28 6.678 -1.505 2.516 1.00 0.00 C ATOM 421 CG GLU A 28 7.173 -0.071 2.344 1.00 0.00 C ATOM 422 CD GLU A 28 8.115 0.355 3.471 1.00 0.00 C ATOM 423 OE1 GLU A 28 9.177 -0.278 3.623 1.00 0.00 O ATOM 424 OE2 GLU A 28 7.781 1.379 4.119 1.00 0.00 O ATOM 0 H GLU A 28 3.983 -1.613 2.908 1.00 0.00 H new ATOM 0 HA GLU A 28 5.861 -1.477 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.341 -1.648 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.508 -2.193 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.688 0.021 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.319 0.605 2.312 1.00 0.00 H new ATOM 431 N SER A 29 5.435 -3.912 0.250 1.00 0.00 N ATOM 432 CA SER A 29 4.998 -5.258 -0.104 1.00 0.00 C ATOM 433 C SER A 29 6.016 -5.892 -1.052 1.00 0.00 C ATOM 434 O SER A 29 6.880 -5.219 -1.612 1.00 0.00 O ATOM 435 CB SER A 29 3.610 -5.119 -0.755 1.00 0.00 C ATOM 436 OG SER A 29 3.057 -6.305 -1.291 1.00 0.00 O ATOM 0 H SER A 29 5.884 -3.423 -0.524 1.00 0.00 H new ATOM 0 HA SER A 29 4.929 -5.909 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.919 -4.723 -0.011 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.677 -4.379 -1.553 1.00 0.00 H new ATOM 0 HG SER A 29 3.534 -6.546 -2.113 1.00 0.00 H new ATOM 442 N SER A 30 5.886 -7.191 -1.292 1.00 0.00 N ATOM 443 CA SER A 30 6.465 -7.836 -2.465 1.00 0.00 C ATOM 444 C SER A 30 5.381 -7.920 -3.546 1.00 0.00 C ATOM 445 O SER A 30 4.231 -7.540 -3.298 1.00 0.00 O ATOM 446 CB SER A 30 6.982 -9.216 -2.053 1.00 0.00 C ATOM 447 OG SER A 30 8.091 -9.063 -1.191 1.00 0.00 O ATOM 0 H SER A 30 5.376 -7.827 -0.679 1.00 0.00 H new ATOM 0 HA SER A 30 7.305 -7.272 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.193 -9.778 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.269 -9.787 -2.936 1.00 0.00 H new ATOM 0 HG SER A 30 8.423 -9.946 -0.925 1.00 0.00 H new ATOM 453 N ALA A 31 5.736 -8.399 -4.744 1.00 0.00 N ATOM 454 CA ALA A 31 4.810 -8.522 -5.868 1.00 0.00 C ATOM 455 C ALA A 31 3.738 -9.590 -5.614 1.00 0.00 C ATOM 456 O ALA A 31 2.565 -9.372 -5.903 1.00 0.00 O ATOM 457 CB ALA A 31 5.599 -8.852 -7.139 1.00 0.00 C ATOM 0 H ALA A 31 6.682 -8.714 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 31 4.292 -7.570 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.912 -8.945 -7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.314 -8.054 -7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.133 -9.792 -7.002 1.00 0.00 H new ATOM 463 N GLU A 32 4.133 -10.745 -5.071 1.00 0.00 N ATOM 464 CA GLU A 32 3.241 -11.873 -4.797 1.00 0.00 C ATOM 465 C GLU A 32 2.255 -11.526 -3.678 1.00 0.00 C ATOM 466 O GLU A 32 1.067 -11.855 -3.748 1.00 0.00 O ATOM 467 CB GLU A 32 4.100 -13.074 -4.384 1.00 0.00 C ATOM 468 CG GLU A 32 4.979 -13.586 -5.536 1.00 0.00 C ATOM 469 CD GLU A 32 6.126 -14.444 -5.004 1.00 0.00 C ATOM 470 OE1 GLU A 32 7.081 -13.830 -4.478 1.00 0.00 O ATOM 471 OE2 GLU A 32 6.030 -15.684 -5.132 1.00 0.00 O ATOM 0 H GLU A 32 5.101 -10.925 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 32 2.663 -12.108 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.734 -12.792 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.452 -13.880 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.374 -14.170 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.380 -12.741 -6.096 1.00 0.00 H new ATOM 478 N ASP A 33 2.759 -10.826 -2.660 1.00 0.00 N ATOM 479 CA ASP A 33 1.990 -10.269 -1.559 1.00 0.00 C ATOM 480 C ASP A 33 1.015 -9.221 -2.099 1.00 0.00 C ATOM 481 O ASP A 33 -0.184 -9.317 -1.848 1.00 0.00 O ATOM 482 CB ASP A 33 2.974 -9.697 -0.530 1.00 0.00 C ATOM 483 CG ASP A 33 2.304 -9.061 0.689 1.00 0.00 C ATOM 484 OD1 ASP A 33 1.171 -9.472 1.022 1.00 0.00 O ATOM 485 OD2 ASP A 33 2.978 -8.201 1.296 1.00 0.00 O ATOM 0 H ASP A 33 3.756 -10.627 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 33 1.388 -11.031 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.635 -10.495 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.600 -8.950 -1.018 1.00 0.00 H new ATOM 490 N LEU A 34 1.498 -8.300 -2.947 1.00 0.00 N ATOM 491 CA LEU A 34 0.669 -7.292 -3.608 1.00 0.00 C ATOM 492 C LEU A 34 -0.439 -7.969 -4.400 1.00 0.00 C ATOM 493 O LEU A 34 -1.592 -7.560 -4.308 1.00 0.00 O ATOM 494 CB LEU A 34 1.512 -6.365 -4.500 1.00 0.00 C ATOM 495 CG LEU A 34 0.675 -5.347 -5.316 1.00 0.00 C ATOM 496 CD1 LEU A 34 1.497 -4.058 -5.481 1.00 0.00 C ATOM 497 CD2 LEU A 34 0.325 -5.844 -6.728 1.00 0.00 C ATOM 0 H LEU A 34 2.486 -8.237 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 34 0.213 -6.665 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.220 -5.820 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.098 -6.974 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.254 -5.191 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.922 -3.330 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.728 -3.646 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.424 -4.283 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.261 -5.085 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.243 -6.036 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.255 -6.764 -6.657 1.00 0.00 H new ATOM 509 N ARG A 35 -0.106 -9.004 -5.177 1.00 0.00 N ATOM 510 CA ARG A 35 -1.088 -9.730 -5.964 1.00 0.00 C ATOM 511 C ARG A 35 -2.122 -10.313 -5.023 1.00 0.00 C ATOM 512 O ARG A 35 -3.309 -10.093 -5.233 1.00 0.00 O ATOM 513 CB ARG A 35 -0.419 -10.819 -6.814 1.00 0.00 C ATOM 514 CG ARG A 35 -1.431 -11.424 -7.798 1.00 0.00 C ATOM 515 CD ARG A 35 -0.774 -12.377 -8.796 1.00 0.00 C ATOM 516 NE ARG A 35 -1.787 -12.956 -9.697 1.00 0.00 N ATOM 517 CZ ARG A 35 -1.555 -13.593 -10.853 1.00 0.00 C ATOM 518 NH1 ARG A 35 -0.308 -13.768 -11.292 1.00 0.00 N ATOM 519 NH2 ARG A 35 -2.579 -14.053 -11.572 1.00 0.00 N ATOM 0 H ARG A 35 0.847 -9.355 -5.273 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.579 -9.050 -6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.423 -10.396 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.019 -11.600 -6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.200 -11.959 -7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.931 -10.621 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.023 -11.843 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.256 -13.173 -8.261 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.762 -12.862 -9.412 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.479 -13.416 -10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.141 -14.254 -12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.535 -13.920 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.407 -14.538 -12.452 1.00 0.00 H new ATOM 533 N THR A 36 -1.675 -11.037 -4.002 1.00 0.00 N ATOM 534 CA THR A 36 -2.534 -11.715 -3.039 1.00 0.00 C ATOM 535 C THR A 36 -3.486 -10.727 -2.357 1.00 0.00 C ATOM 536 O THR A 36 -4.706 -10.939 -2.364 1.00 0.00 O ATOM 537 CB THR A 36 -1.666 -12.465 -2.015 1.00 0.00 C ATOM 538 OG1 THR A 36 -0.775 -13.334 -2.688 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.536 -13.280 -1.052 1.00 0.00 C ATOM 0 H THR A 36 -0.681 -11.171 -3.817 1.00 0.00 H new ATOM 0 HA THR A 36 -3.155 -12.441 -3.564 1.00 0.00 H new ATOM 0 HB THR A 36 -1.104 -11.729 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.087 -12.885 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.898 -13.801 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.210 -12.612 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.119 -14.008 -1.616 1.00 0.00 H new ATOM 547 N LEU A 37 -2.943 -9.635 -1.799 1.00 0.00 N ATOM 548 CA LEU A 37 -3.770 -8.636 -1.141 1.00 0.00 C ATOM 549 C LEU A 37 -4.714 -7.976 -2.156 1.00 0.00 C ATOM 550 O LEU A 37 -5.861 -7.672 -1.821 1.00 0.00 O ATOM 551 CB LEU A 37 -2.944 -7.683 -0.257 1.00 0.00 C ATOM 552 CG LEU A 37 -2.038 -6.662 -0.966 1.00 0.00 C ATOM 553 CD1 LEU A 37 -2.775 -5.362 -1.306 1.00 0.00 C ATOM 554 CD2 LEU A 37 -0.824 -6.314 -0.093 1.00 0.00 C ATOM 0 H LEU A 37 -1.944 -9.430 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.426 -9.121 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.635 -7.133 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.319 -8.289 0.398 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.717 -7.135 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.091 -4.676 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.614 -5.581 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.145 -4.903 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.197 -5.590 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.165 -5.887 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.247 -7.218 0.105 1.00 0.00 H new ATOM 566 N GLN A 38 -4.288 -7.854 -3.424 1.00 0.00 N ATOM 567 CA GLN A 38 -5.166 -7.398 -4.485 1.00 0.00 C ATOM 568 C GLN A 38 -6.310 -8.399 -4.662 1.00 0.00 C ATOM 569 O GLN A 38 -7.446 -7.967 -4.767 1.00 0.00 O ATOM 570 CB GLN A 38 -4.429 -7.177 -5.820 1.00 0.00 C ATOM 571 CG GLN A 38 -5.168 -6.194 -6.737 1.00 0.00 C ATOM 572 CD GLN A 38 -4.877 -4.750 -6.336 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.649 -4.114 -5.632 1.00 0.00 O ATOM 574 NE2 GLN A 38 -3.738 -4.216 -6.759 1.00 0.00 N ATOM 0 H GLN A 38 -3.338 -8.068 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.562 -6.426 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.426 -6.800 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.315 -8.132 -6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.864 -6.357 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.241 -6.380 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.106 -4.761 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.495 -3.261 -6.498 1.00 0.00 H new ATOM 583 N GLN A 39 -6.042 -9.715 -4.674 1.00 0.00 N ATOM 584 CA GLN A 39 -7.050 -10.751 -4.877 1.00 0.00 C ATOM 585 C GLN A 39 -8.121 -10.664 -3.800 1.00 0.00 C ATOM 586 O GLN A 39 -9.302 -10.734 -4.129 1.00 0.00 O ATOM 587 CB GLN A 39 -6.502 -12.186 -4.880 1.00 0.00 C ATOM 588 CG GLN A 39 -5.346 -12.498 -5.829 1.00 0.00 C ATOM 589 CD GLN A 39 -5.458 -11.882 -7.220 1.00 0.00 C ATOM 590 OE1 GLN A 39 -6.100 -12.418 -8.113 1.00 0.00 O ATOM 591 NE2 GLN A 39 -4.783 -10.764 -7.441 1.00 0.00 N ATOM 0 H GLN A 39 -5.102 -10.088 -4.540 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.454 -10.554 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.179 -12.425 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.325 -12.860 -5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.419 -12.153 -5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.266 -13.580 -5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.253 -10.330 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.793 -10.337 -8.367 1.00 0.00 H new ATOM 600 N LEU A 40 -7.738 -10.523 -2.523 1.00 0.00 N ATOM 601 CA LEU A 40 -8.754 -10.394 -1.477 1.00 0.00 C ATOM 602 C LEU A 40 -9.574 -9.118 -1.622 1.00 0.00 C ATOM 603 O LEU A 40 -10.806 -9.192 -1.558 1.00 0.00 O ATOM 604 CB LEU A 40 -8.210 -10.571 -0.058 1.00 0.00 C ATOM 605 CG LEU A 40 -6.854 -9.972 0.328 1.00 0.00 C ATOM 606 CD1 LEU A 40 -6.987 -8.579 0.957 1.00 0.00 C ATOM 607 CD2 LEU A 40 -6.145 -10.894 1.325 1.00 0.00 C ATOM 0 H LEU A 40 -6.771 -10.496 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.432 -11.233 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.952 -10.159 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.157 -11.642 0.137 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.276 -9.876 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.998 -8.199 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.463 -7.903 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.595 -8.644 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.181 -10.464 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.758 -11.003 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.990 -11.872 0.870 1.00 0.00 H new ATOM 619 N PHE A 41 -8.908 -7.980 -1.839 1.00 0.00 N ATOM 620 CA PHE A 41 -9.616 -6.706 -2.031 1.00 0.00 C ATOM 621 C PHE A 41 -10.458 -6.686 -3.322 1.00 0.00 C ATOM 622 O PHE A 41 -11.463 -5.983 -3.396 1.00 0.00 O ATOM 623 CB PHE A 41 -8.657 -5.502 -1.972 1.00 0.00 C ATOM 624 CG PHE A 41 -8.050 -5.215 -0.603 1.00 0.00 C ATOM 625 CD1 PHE A 41 -8.867 -5.094 0.542 1.00 0.00 C ATOM 626 CD2 PHE A 41 -6.658 -5.046 -0.464 1.00 0.00 C ATOM 627 CE1 PHE A 41 -8.296 -4.886 1.809 1.00 0.00 C ATOM 628 CE2 PHE A 41 -6.085 -4.843 0.801 1.00 0.00 C ATOM 629 CZ PHE A 41 -6.902 -4.780 1.940 1.00 0.00 C ATOM 0 H PHE A 41 -7.891 -7.912 -1.886 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.312 -6.616 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.847 -5.669 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.195 -4.614 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.940 -5.162 0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.026 -5.073 -1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.929 -4.808 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.015 -4.735 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.459 -4.650 2.916 1.00 0.00 H new ATOM 639 N LEU A 42 -10.073 -7.473 -4.329 1.00 0.00 N ATOM 640 CA LEU A 42 -10.808 -7.716 -5.565 1.00 0.00 C ATOM 641 C LEU A 42 -11.987 -8.666 -5.330 1.00 0.00 C ATOM 642 O LEU A 42 -13.007 -8.544 -6.002 1.00 0.00 O ATOM 643 CB LEU A 42 -9.811 -8.312 -6.577 1.00 0.00 C ATOM 644 CG LEU A 42 -10.374 -8.763 -7.931 1.00 0.00 C ATOM 645 CD1 LEU A 42 -10.905 -7.568 -8.727 1.00 0.00 C ATOM 646 CD2 LEU A 42 -9.256 -9.465 -8.717 1.00 0.00 C ATOM 0 H LEU A 42 -9.191 -7.984 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.230 -6.786 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.035 -7.570 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.327 -9.169 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.205 -9.449 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.299 -7.914 -9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.699 -7.079 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.096 -6.859 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.641 -9.792 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.429 -8.772 -8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.904 -10.330 -8.155 1.00 0.00 H new ATOM 658 N SER A 43 -11.837 -9.628 -4.413 1.00 0.00 N ATOM 659 CA SER A 43 -12.801 -10.690 -4.181 1.00 0.00 C ATOM 660 C SER A 43 -14.015 -10.176 -3.416 1.00 0.00 C ATOM 661 O SER A 43 -15.141 -10.217 -3.910 1.00 0.00 O ATOM 662 CB SER A 43 -12.113 -11.821 -3.394 1.00 0.00 C ATOM 663 OG SER A 43 -13.031 -12.784 -2.900 1.00 0.00 O ATOM 0 H SER A 43 -11.022 -9.684 -3.802 1.00 0.00 H new ATOM 0 HA SER A 43 -13.154 -11.066 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.386 -12.316 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.559 -11.392 -2.559 1.00 0.00 H new ATOM 0 HG SER A 43 -13.368 -12.497 -2.026 1.00 0.00 H new ATOM 669 N THR A 44 -13.772 -9.807 -2.158 1.00 0.00 N ATOM 670 CA THR A 44 -14.774 -9.712 -1.114 1.00 0.00 C ATOM 671 C THR A 44 -14.349 -8.783 0.022 1.00 0.00 C ATOM 672 O THR A 44 -15.189 -8.086 0.593 1.00 0.00 O ATOM 673 CB THR A 44 -15.052 -11.118 -0.529 1.00 0.00 C ATOM 674 OG1 THR A 44 -13.868 -11.901 -0.451 1.00 0.00 O ATOM 675 CG2 THR A 44 -16.099 -11.909 -1.315 1.00 0.00 C ATOM 0 H THR A 44 -12.837 -9.559 -1.834 1.00 0.00 H new ATOM 0 HA THR A 44 -15.672 -9.296 -1.571 1.00 0.00 H new ATOM 0 HB THR A 44 -15.444 -10.927 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.082 -12.781 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.244 -12.884 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.043 -11.363 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.758 -12.044 -2.341 1.00 0.00 H new ATOM 683 N LEU A 45 -13.058 -8.778 0.365 1.00 0.00 N ATOM 684 CA LEU A 45 -12.502 -7.854 1.343 1.00 0.00 C ATOM 685 C LEU A 45 -12.590 -6.433 0.780 1.00 0.00 C ATOM 686 O LEU A 45 -12.554 -6.229 -0.430 1.00 0.00 O ATOM 687 CB LEU A 45 -11.043 -8.258 1.650 1.00 0.00 C ATOM 688 CG LEU A 45 -10.718 -8.558 3.123 1.00 0.00 C ATOM 689 CD1 LEU A 45 -10.893 -7.331 4.020 1.00 0.00 C ATOM 690 CD2 LEU A 45 -11.531 -9.740 3.668 1.00 0.00 C ATOM 0 H LEU A 45 -12.371 -9.419 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.063 -7.889 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.800 -9.141 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.387 -7.457 1.311 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.665 -8.837 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.651 -7.595 5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.227 -6.536 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.926 -6.986 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.267 -9.913 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.595 -9.514 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.310 -10.634 3.084 1.00 0.00 H new ATOM 702 N SER A 46 -12.645 -5.427 1.650 1.00 0.00 N ATOM 703 CA SER A 46 -12.494 -4.033 1.301 1.00 0.00 C ATOM 704 C SER A 46 -11.754 -3.336 2.436 1.00 0.00 C ATOM 705 O SER A 46 -11.567 -3.923 3.504 1.00 0.00 O ATOM 706 CB SER A 46 -13.870 -3.434 1.040 1.00 0.00 C ATOM 707 OG SER A 46 -14.802 -3.717 2.063 1.00 0.00 O ATOM 0 H SER A 46 -12.801 -5.574 2.647 1.00 0.00 H new ATOM 0 HA SER A 46 -11.910 -3.905 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.775 -2.353 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.252 -3.816 0.093 1.00 0.00 H new ATOM 0 HG SER A 46 -15.664 -3.307 1.843 1.00 0.00 H new ATOM 713 N PHE A 47 -11.312 -2.101 2.191 1.00 0.00 N ATOM 714 CA PHE A 47 -10.528 -1.360 3.174 1.00 0.00 C ATOM 715 C PHE A 47 -11.438 -0.518 4.065 1.00 0.00 C ATOM 716 O PHE A 47 -11.434 -0.703 5.277 1.00 0.00 O ATOM 717 CB PHE A 47 -9.448 -0.515 2.489 1.00 0.00 C ATOM 718 CG PHE A 47 -8.195 -0.417 3.335 1.00 0.00 C ATOM 719 CD1 PHE A 47 -7.251 -1.461 3.306 1.00 0.00 C ATOM 720 CD2 PHE A 47 -7.989 0.690 4.176 1.00 0.00 C ATOM 721 CE1 PHE A 47 -6.099 -1.391 4.111 1.00 0.00 C ATOM 722 CE2 PHE A 47 -6.831 0.767 4.971 1.00 0.00 C ATOM 723 CZ PHE A 47 -5.886 -0.274 4.938 1.00 0.00 C ATOM 0 H PHE A 47 -11.484 -1.596 1.322 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.014 -2.074 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.201 -0.954 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.836 0.485 2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.411 -2.316 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.721 1.483 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.378 -2.195 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.668 1.625 5.606 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.997 -0.215 5.548 1.00 0.00 H new ATOM 733 N VAL A 48 -12.234 0.362 3.433 1.00 0.00 N ATOM 734 CA VAL A 48 -13.118 1.362 4.034 1.00 0.00 C ATOM 735 C VAL A 48 -12.289 2.458 4.736 1.00 0.00 C ATOM 736 O VAL A 48 -11.315 2.181 5.434 1.00 0.00 O ATOM 737 CB VAL A 48 -14.192 0.673 4.916 1.00 0.00 C ATOM 738 CG1 VAL A 48 -15.222 1.654 5.490 1.00 0.00 C ATOM 739 CG2 VAL A 48 -14.974 -0.389 4.117 1.00 0.00 C ATOM 0 H VAL A 48 -12.275 0.391 2.414 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.682 1.887 3.263 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.633 0.219 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.945 1.109 6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -14.714 2.394 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.740 2.157 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.719 -0.854 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.472 0.085 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.285 -1.150 3.752 1.00 0.00 H new ATOM 749 N CYS A 49 -12.636 3.736 4.521 1.00 0.00 N ATOM 750 CA CYS A 49 -11.983 4.827 5.243 1.00 0.00 C ATOM 751 C CYS A 49 -12.442 4.807 6.711 1.00 0.00 C ATOM 752 O CYS A 49 -13.596 4.464 6.974 1.00 0.00 O ATOM 753 CB CYS A 49 -12.285 6.177 4.572 1.00 0.00 C ATOM 754 SG CYS A 49 -14.025 6.557 4.262 1.00 0.00 S ATOM 0 H CYS A 49 -13.356 4.032 3.861 1.00 0.00 H new ATOM 0 HA CYS A 49 -10.902 4.690 5.215 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.870 6.968 5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.754 6.210 3.620 1.00 0.00 H new ATOM 0 HG CYS A 49 -14.566 5.590 3.583 1.00 0.00 H new ATOM 759 N PRO A 50 -11.617 5.237 7.684 1.00 0.00 N ATOM 760 CA PRO A 50 -11.981 5.177 9.105 1.00 0.00 C ATOM 761 C PRO A 50 -13.185 6.066 9.457 1.00 0.00 C ATOM 762 O PRO A 50 -13.934 5.793 10.403 1.00 0.00 O ATOM 763 CB PRO A 50 -10.727 5.608 9.867 1.00 0.00 C ATOM 764 CG PRO A 50 -9.913 6.406 8.844 1.00 0.00 C ATOM 765 CD PRO A 50 -10.262 5.741 7.515 1.00 0.00 C ATOM 0 HA PRO A 50 -12.299 4.170 9.374 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.980 6.217 10.735 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.169 4.746 10.233 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.186 7.461 8.849 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.844 6.352 9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.207 6.453 6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.567 4.933 7.285 1.00 0.00 H new ATOM 773 N TRP A 51 -13.404 7.117 8.662 1.00 0.00 N ATOM 774 CA TRP A 51 -14.586 7.946 8.770 1.00 0.00 C ATOM 775 C TRP A 51 -15.843 7.160 8.384 1.00 0.00 C ATOM 776 O TRP A 51 -16.866 7.302 9.052 1.00 0.00 O ATOM 777 CB TRP A 51 -14.404 9.213 7.933 1.00 0.00 C ATOM 778 CG TRP A 51 -15.355 10.301 8.311 1.00 0.00 C ATOM 779 CD1 TRP A 51 -16.323 10.824 7.528 1.00 0.00 C ATOM 780 CD2 TRP A 51 -15.473 10.974 9.601 1.00 0.00 C ATOM 781 NE1 TRP A 51 -17.029 11.771 8.243 1.00 0.00 N ATOM 782 CE2 TRP A 51 -16.549 11.905 9.528 1.00 0.00 C ATOM 783 CE3 TRP A 51 -14.797 10.864 10.835 1.00 0.00 C ATOM 784 CZ2 TRP A 51 -16.935 12.690 10.626 1.00 0.00 C ATOM 785 CZ3 TRP A 51 -15.171 11.650 11.942 1.00 0.00 C ATOM 786 CH2 TRP A 51 -16.236 12.562 11.838 1.00 0.00 C ATOM 0 H TRP A 51 -12.760 7.409 7.927 1.00 0.00 H new ATOM 0 HA TRP A 51 -14.722 8.251 9.807 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -13.382 9.574 8.048 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -14.539 8.969 6.879 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -16.515 10.545 6.502 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -17.811 12.306 7.866 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -13.979 10.165 10.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -17.759 13.383 10.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -14.637 11.552 12.876 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -16.517 13.164 12.690 1.00 0.00 H new ATOM 797 N CYS A 52 -15.766 6.288 7.372 1.00 0.00 N ATOM 798 CA CYS A 52 -16.837 5.349 7.061 1.00 0.00 C ATOM 799 C CYS A 52 -16.870 4.175 8.036 1.00 0.00 C ATOM 800 O CYS A 52 -17.946 3.641 8.253 1.00 0.00 O ATOM 801 CB CYS A 52 -16.722 4.816 5.634 1.00 0.00 C ATOM 802 SG CYS A 52 -17.396 5.922 4.375 1.00 0.00 S ATOM 0 H CYS A 52 -14.960 6.218 6.751 1.00 0.00 H new ATOM 0 HA CYS A 52 -17.767 5.908 7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.672 4.628 5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -17.237 3.857 5.573 1.00 0.00 H new ATOM 0 HG CYS A 52 -16.476 6.192 3.497 1.00 0.00 H new ATOM 807 N ALA A 53 -15.761 3.768 8.659 1.00 0.00 N ATOM 808 CA ALA A 53 -15.834 2.794 9.750 1.00 0.00 C ATOM 809 C ALA A 53 -16.658 3.351 10.922 1.00 0.00 C ATOM 810 O ALA A 53 -17.378 2.602 11.585 1.00 0.00 O ATOM 811 CB ALA A 53 -14.434 2.365 10.200 1.00 0.00 C ATOM 0 H ALA A 53 -14.820 4.090 8.433 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.343 1.904 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.518 1.642 11.011 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.906 1.911 9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.880 3.237 10.548 1.00 0.00 H new ATOM 817 N THR A 54 -16.582 4.667 11.144 1.00 0.00 N ATOM 818 CA THR A 54 -17.372 5.375 12.144 1.00 0.00 C ATOM 819 C THR A 54 -18.823 5.578 11.667 1.00 0.00 C ATOM 820 O THR A 54 -19.750 5.091 12.309 1.00 0.00 O ATOM 821 CB THR A 54 -16.657 6.700 12.495 1.00 0.00 C ATOM 822 OG1 THR A 54 -15.314 6.463 12.898 1.00 0.00 O ATOM 823 CG2 THR A 54 -17.393 7.501 13.582 1.00 0.00 C ATOM 0 H THR A 54 -15.955 5.278 10.620 1.00 0.00 H new ATOM 0 HA THR A 54 -17.446 4.779 13.054 1.00 0.00 H new ATOM 0 HB THR A 54 -16.661 7.300 11.585 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.774 6.227 12.115 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.847 8.421 13.789 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.398 7.745 13.237 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.457 6.905 14.492 1.00 0.00 H new ATOM 831 N ASN A 55 -19.033 6.319 10.571 1.00 0.00 N ATOM 832 CA ASN A 55 -20.362 6.809 10.172 1.00 0.00 C ATOM 833 C ASN A 55 -21.166 5.775 9.381 1.00 0.00 C ATOM 834 O ASN A 55 -22.394 5.816 9.403 1.00 0.00 O ATOM 835 CB ASN A 55 -20.236 8.097 9.343 1.00 0.00 C ATOM 836 CG ASN A 55 -19.639 9.241 10.151 1.00 0.00 C ATOM 837 OD1 ASN A 55 -20.349 10.045 10.739 1.00 0.00 O ATOM 838 ND2 ASN A 55 -18.319 9.324 10.210 1.00 0.00 N ATOM 0 H ASN A 55 -18.286 6.597 9.934 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.903 7.010 11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.612 7.906 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.220 8.388 8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.878 10.067 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.743 8.645 9.713 1.00 0.00 H new ATOM 845 N GLN A 56 -20.462 4.833 8.746 1.00 0.00 N ATOM 846 CA GLN A 56 -20.955 3.710 7.963 1.00 0.00 C ATOM 847 C GLN A 56 -21.949 4.117 6.874 1.00 0.00 C ATOM 848 O GLN A 56 -21.788 5.223 6.324 1.00 0.00 O ATOM 849 CB GLN A 56 -21.391 2.606 8.944 1.00 0.00 C ATOM 850 CG GLN A 56 -20.168 2.027 9.683 1.00 0.00 C ATOM 851 CD GLN A 56 -20.506 1.071 10.824 1.00 0.00 C ATOM 852 OE1 GLN A 56 -21.439 0.279 10.749 1.00 0.00 O ATOM 853 NE2 GLN A 56 -19.715 1.111 11.889 1.00 0.00 N ATOM 0 H GLN A 56 -19.442 4.844 8.773 1.00 0.00 H new ATOM 0 HA GLN A 56 -20.164 3.283 7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.101 3.012 9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -21.905 1.812 8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -19.540 1.503 8.963 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -19.577 2.852 10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.945 1.779 11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -19.877 0.474 12.669 1.00 0.00 H new