USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 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 26 GLN :FLIP amide:sc= -4.33 F(o=-18!,f=-8.4) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -4.02! C(o=-8.5!,f=-8.4!) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -5.65! C(o=-11!,f=-7.6!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -158:sc= 1.09 (180deg=-0.753) USER MOD Set 2.3: A 52 ASN : amide:sc= -3.04! C(o=-7.6!,f=-11!) USER MOD Set 3.1: A 9 GLN : amide:sc= -0.513 K(o=-0.29,f=-4.5!) USER MOD Set 3.2: A 10 GLN : amide:sc= 0.22 K(o=-0.29,f=-2) USER MOD Single : A 11 ASN : amide:sc= 0.147 K(o=0.15,f=-2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.957 K(o=0.96,f=-2.9!) USER MOD Single : A 23 ASN : amide:sc= -1.02 K(o=-1,f=-8.8!) USER MOD Single : A 28 ASN : amide:sc= -4.16! X(o=-4.2!,f=-4.4) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0446 F(o=-1.9!,f=-0.045) USER MOD Single : A 33 SER OG : rot 180:sc= -0.12 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= -2.39! (180deg=-4.56!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.226! C(o=-0.23!,f=-6.7!) USER MOD Single : A 41 SER OG : rot 89:sc= -2.87 USER MOD Single : A 43 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= -1.16 (180deg=-7.26!) USER MOD ----------------------------------------------------------------- ATOM 123 N GLU A 8 -2.789 -11.067 -3.282 1.00 0.00 N ATOM 124 CA GLU A 8 -3.271 -9.753 -3.715 1.00 0.00 C ATOM 125 C GLU A 8 -2.175 -8.690 -3.694 1.00 0.00 C ATOM 126 O GLU A 8 -2.342 -7.562 -4.164 1.00 0.00 O ATOM 127 CB GLU A 8 -4.527 -9.312 -2.876 1.00 0.00 C ATOM 128 CG GLU A 8 -5.100 -10.307 -1.802 1.00 0.00 C ATOM 129 CD GLU A 8 -4.202 -10.457 -0.583 1.00 0.00 C ATOM 130 OE1 GLU A 8 -4.266 -9.633 0.322 1.00 0.00 O ATOM 131 OE2 GLU A 8 -3.416 -11.389 -0.536 1.00 0.00 O ATOM 0 HA GLU A 8 -3.578 -9.851 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.275 -8.383 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.330 -9.083 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.082 -9.959 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.243 -11.285 -2.262 1.00 0.00 H new ATOM 138 N GLN A 9 -1.027 -9.104 -3.152 1.00 0.00 N ATOM 139 CA GLN A 9 0.200 -8.401 -3.007 1.00 0.00 C ATOM 140 C GLN A 9 0.556 -7.498 -4.161 1.00 0.00 C ATOM 141 O GLN A 9 0.775 -6.310 -3.959 1.00 0.00 O ATOM 142 CB GLN A 9 1.134 -9.537 -2.809 1.00 0.00 C ATOM 143 CG GLN A 9 2.248 -9.185 -1.905 1.00 0.00 C ATOM 144 CD GLN A 9 3.455 -8.582 -2.583 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.466 -8.169 -3.740 1.00 0.00 O ATOM 146 NE2 GLN A 9 4.540 -8.559 -1.848 1.00 0.00 N ATOM 0 H GLN A 9 -0.953 -10.047 -2.770 1.00 0.00 H new ATOM 0 HA GLN A 9 0.197 -7.671 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.589 -10.387 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.534 -9.850 -3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.881 -8.482 -1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.561 -10.083 -1.372 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.514 -8.906 -0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.410 -8.194 -2.235 1.00 0.00 H new ATOM 155 N GLN A 10 0.610 -8.037 -5.372 1.00 0.00 N ATOM 156 CA GLN A 10 0.950 -7.192 -6.494 1.00 0.00 C ATOM 157 C GLN A 10 -0.171 -6.233 -6.865 1.00 0.00 C ATOM 158 O GLN A 10 0.116 -5.095 -7.236 1.00 0.00 O ATOM 159 CB GLN A 10 1.462 -8.052 -7.665 1.00 0.00 C ATOM 160 CG GLN A 10 2.955 -8.389 -7.384 1.00 0.00 C ATOM 161 CD GLN A 10 3.807 -7.143 -7.340 1.00 0.00 C ATOM 162 OE1 GLN A 10 4.067 -6.466 -8.328 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.247 -6.785 -6.157 1.00 0.00 N ATOM 0 H GLN A 10 0.430 -9.016 -5.592 1.00 0.00 H new ATOM 0 HA GLN A 10 1.770 -6.535 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.874 -8.965 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.362 -7.514 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.037 -8.920 -6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.329 -9.059 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.028 -7.352 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.808 -5.939 -6.056 1.00 0.00 H new ATOM 172 N ASN A 11 -1.452 -6.599 -6.776 1.00 0.00 N ATOM 173 CA ASN A 11 -2.532 -5.649 -7.083 1.00 0.00 C ATOM 174 C ASN A 11 -2.385 -4.460 -6.144 1.00 0.00 C ATOM 175 O ASN A 11 -2.389 -3.292 -6.532 1.00 0.00 O ATOM 176 CB ASN A 11 -3.913 -6.301 -6.875 1.00 0.00 C ATOM 177 CG ASN A 11 -4.030 -7.518 -7.761 1.00 0.00 C ATOM 178 OD1 ASN A 11 -3.416 -8.543 -7.488 1.00 0.00 O ATOM 179 ND2 ASN A 11 -4.777 -7.471 -8.849 1.00 0.00 N ATOM 0 H ASN A 11 -1.767 -7.529 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.461 -5.337 -8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.040 -6.584 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.703 -5.588 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.842 -8.286 -9.459 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.289 -6.620 -9.079 1.00 0.00 H new ATOM 186 N ALA A 12 -2.236 -4.814 -4.868 1.00 0.00 N ATOM 187 CA ALA A 12 -2.020 -3.845 -3.808 1.00 0.00 C ATOM 188 C ALA A 12 -0.799 -2.986 -4.115 1.00 0.00 C ATOM 189 O ALA A 12 -0.809 -1.781 -3.944 1.00 0.00 O ATOM 190 CB ALA A 12 -1.835 -4.641 -2.510 1.00 0.00 C ATOM 0 H ALA A 12 -2.262 -5.781 -4.546 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.866 -3.164 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.669 -3.952 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.729 -5.233 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.975 -5.304 -2.609 1.00 0.00 H new ATOM 196 N PHE A 13 0.280 -3.619 -4.560 1.00 0.00 N ATOM 197 CA PHE A 13 1.515 -2.954 -4.955 1.00 0.00 C ATOM 198 C PHE A 13 1.248 -1.847 -5.973 1.00 0.00 C ATOM 199 O PHE A 13 1.606 -0.678 -5.817 1.00 0.00 O ATOM 200 CB PHE A 13 2.438 -4.057 -5.510 1.00 0.00 C ATOM 201 CG PHE A 13 3.882 -3.634 -5.686 1.00 0.00 C ATOM 202 CD1 PHE A 13 4.724 -3.742 -4.566 1.00 0.00 C ATOM 203 CD2 PHE A 13 4.400 -3.151 -6.904 1.00 0.00 C ATOM 204 CE1 PHE A 13 6.073 -3.373 -4.649 1.00 0.00 C ATOM 205 CE2 PHE A 13 5.754 -2.779 -6.990 1.00 0.00 C ATOM 206 CZ PHE A 13 6.592 -2.889 -5.864 1.00 0.00 C ATOM 0 H PHE A 13 0.321 -4.633 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 13 1.989 -2.454 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.403 -4.915 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.049 -4.389 -6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.327 -4.113 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.759 -3.067 -7.769 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.713 -3.460 -3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.152 -2.408 -7.923 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.631 -2.602 -5.933 1.00 0.00 H new ATOM 216 N TYR A 14 0.602 -2.242 -7.059 1.00 0.00 N ATOM 217 CA TYR A 14 0.211 -1.304 -8.102 1.00 0.00 C ATOM 218 C TYR A 14 -0.658 -0.188 -7.553 1.00 0.00 C ATOM 219 O TYR A 14 -0.451 0.973 -7.878 1.00 0.00 O ATOM 220 CB TYR A 14 -0.523 -2.068 -9.239 1.00 0.00 C ATOM 221 CG TYR A 14 0.367 -2.915 -10.154 1.00 0.00 C ATOM 222 CD1 TYR A 14 1.330 -2.231 -10.929 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.272 -4.324 -10.264 1.00 0.00 C ATOM 224 CE1 TYR A 14 2.187 -2.933 -11.799 1.00 0.00 C ATOM 225 CE2 TYR A 14 1.126 -5.038 -11.133 1.00 0.00 C ATOM 226 CZ TYR A 14 2.082 -4.337 -11.899 1.00 0.00 C ATOM 227 OH TYR A 14 2.905 -5.023 -12.736 1.00 0.00 O ATOM 0 H TYR A 14 0.336 -3.210 -7.242 1.00 0.00 H new ATOM 0 HA TYR A 14 1.112 -0.840 -8.504 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.273 -2.719 -8.789 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.057 -1.343 -9.853 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.410 -1.157 -10.853 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.461 -4.858 -9.677 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.920 -2.400 -12.386 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.048 -6.112 -11.211 1.00 0.00 H new ATOM 0 HH TYR A 14 2.701 -5.980 -12.683 1.00 0.00 H new ATOM 237 N GLU A 15 -1.639 -0.505 -6.712 1.00 0.00 N ATOM 238 CA GLU A 15 -2.477 0.519 -6.101 1.00 0.00 C ATOM 239 C GLU A 15 -1.586 1.478 -5.296 1.00 0.00 C ATOM 240 O GLU A 15 -1.653 2.700 -5.400 1.00 0.00 O ATOM 241 CB GLU A 15 -3.513 -0.221 -5.222 1.00 0.00 C ATOM 242 CG GLU A 15 -4.855 0.522 -4.919 1.00 0.00 C ATOM 243 CD GLU A 15 -4.726 1.865 -4.207 1.00 0.00 C ATOM 244 OE1 GLU A 15 -4.382 2.836 -4.873 1.00 0.00 O ATOM 245 OE2 GLU A 15 -5.042 1.959 -3.019 1.00 0.00 O ATOM 0 H GLU A 15 -1.872 -1.460 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.006 1.127 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.753 -1.167 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.038 -0.462 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.381 0.681 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.481 -0.131 -4.311 1.00 0.00 H new ATOM 252 N ILE A 16 -0.668 0.930 -4.503 1.00 0.00 N ATOM 253 CA ILE A 16 0.231 1.695 -3.640 1.00 0.00 C ATOM 254 C ILE A 16 1.013 2.707 -4.482 1.00 0.00 C ATOM 255 O ILE A 16 1.136 3.890 -4.149 1.00 0.00 O ATOM 256 CB ILE A 16 1.111 0.642 -2.913 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.324 0.012 -1.738 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.467 1.196 -2.417 1.00 0.00 C ATOM 259 CD1 ILE A 16 0.999 -1.262 -1.185 1.00 0.00 C ATOM 0 H ILE A 16 -0.525 -0.078 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.284 2.297 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 16 1.351 -0.121 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.227 0.744 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.685 -0.231 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.025 0.402 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.041 1.566 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.292 2.011 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.405 -1.661 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.072 -2.008 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.998 -1.017 -0.824 1.00 0.00 H new ATOM 271 N LEU A 17 1.551 2.227 -5.607 1.00 0.00 N ATOM 272 CA LEU A 17 2.267 3.089 -6.538 1.00 0.00 C ATOM 273 C LEU A 17 1.329 4.125 -7.167 1.00 0.00 C ATOM 274 O LEU A 17 1.692 5.277 -7.396 1.00 0.00 O ATOM 275 CB LEU A 17 2.960 2.244 -7.608 1.00 0.00 C ATOM 276 CG LEU A 17 4.146 1.443 -7.045 1.00 0.00 C ATOM 277 CD1 LEU A 17 4.738 0.610 -8.184 1.00 0.00 C ATOM 278 CD2 LEU A 17 5.240 2.338 -6.436 1.00 0.00 C ATOM 0 H LEU A 17 1.502 1.248 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 17 3.030 3.638 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.238 1.557 -8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.312 2.894 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 17 3.777 0.812 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.583 0.031 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.978 -0.067 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.076 1.272 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.050 1.715 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.628 3.010 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.818 2.923 -5.619 1.00 0.00 H new ATOM 290 N HIS A 18 0.098 3.703 -7.463 1.00 0.00 N ATOM 291 CA HIS A 18 -0.954 4.546 -8.020 1.00 0.00 C ATOM 292 C HIS A 18 -1.312 5.735 -7.123 1.00 0.00 C ATOM 293 O HIS A 18 -1.555 6.827 -7.634 1.00 0.00 O ATOM 294 CB HIS A 18 -2.171 3.606 -8.285 1.00 0.00 C ATOM 295 CG HIS A 18 -3.512 4.324 -8.301 1.00 0.00 C ATOM 296 ND1 HIS A 18 -4.460 4.177 -7.391 1.00 0.00 N ATOM 297 CD2 HIS A 18 -3.919 5.275 -9.201 1.00 0.00 C ATOM 298 CE1 HIS A 18 -5.426 4.996 -7.725 1.00 0.00 C ATOM 299 NE2 HIS A 18 -5.105 5.662 -8.809 1.00 0.00 N ATOM 0 H HIS A 18 -0.200 2.738 -7.317 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.615 5.014 -8.944 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.028 3.103 -9.241 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.193 2.832 -7.518 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.442 3.549 -6.587 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.371 5.632 -10.060 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.355 5.107 -7.185 1.00 0.00 H new ATOM 307 N LEU A 19 -1.347 5.558 -5.802 1.00 0.00 N ATOM 308 CA LEU A 19 -1.708 6.611 -4.859 1.00 0.00 C ATOM 309 C LEU A 19 -0.881 7.901 -5.001 1.00 0.00 C ATOM 310 O LEU A 19 0.261 7.966 -4.533 1.00 0.00 O ATOM 311 CB LEU A 19 -1.540 6.037 -3.435 1.00 0.00 C ATOM 312 CG LEU A 19 -2.488 4.937 -3.028 1.00 0.00 C ATOM 313 CD1 LEU A 19 -2.170 4.447 -1.610 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.954 5.351 -3.082 1.00 0.00 C ATOM 0 H LEU A 19 -1.123 4.669 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.736 6.905 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.522 5.660 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.645 6.856 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.340 4.138 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.865 3.654 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.150 4.064 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.269 5.275 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.580 4.513 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.120 6.192 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.212 5.645 -4.099 1.00 0.00 H new ATOM 326 N PRO A 20 -1.422 8.991 -5.574 1.00 0.00 N ATOM 327 CA PRO A 20 -0.689 10.239 -5.789 1.00 0.00 C ATOM 328 C PRO A 20 -0.595 11.150 -4.566 1.00 0.00 C ATOM 329 O PRO A 20 0.481 11.575 -4.170 1.00 0.00 O ATOM 330 CB PRO A 20 -1.437 10.857 -6.964 1.00 0.00 C ATOM 331 CG PRO A 20 -2.881 10.485 -6.676 1.00 0.00 C ATOM 332 CD PRO A 20 -2.789 9.070 -6.100 1.00 0.00 C ATOM 0 HA PRO A 20 0.369 10.070 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.299 11.937 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.097 10.453 -7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.338 11.176 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.488 10.509 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.529 8.909 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.967 8.315 -6.866 1.00 0.00 H new ATOM 340 N ASN A 21 -1.716 11.447 -3.907 1.00 0.00 N ATOM 341 CA ASN A 21 -1.799 12.338 -2.751 1.00 0.00 C ATOM 342 C ASN A 21 -1.464 11.604 -1.447 1.00 0.00 C ATOM 343 O ASN A 21 -1.946 11.854 -0.337 1.00 0.00 O ATOM 344 CB ASN A 21 -3.222 12.947 -2.745 1.00 0.00 C ATOM 345 CG ASN A 21 -4.264 11.843 -2.733 1.00 0.00 C ATOM 346 OD1 ASN A 21 -4.554 11.335 -1.556 1.00 0.00 O flip ATOM 347 ND2 ASN A 21 -4.767 11.394 -3.756 1.00 0.00 N flip ATOM 0 H ASN A 21 -2.621 11.060 -4.173 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.060 13.136 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.348 13.586 -1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.359 13.577 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.531 11.800 -4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.422 10.614 -3.702 1.00 0.00 H new ATOM 354 N LEU A 22 -0.595 10.629 -1.661 1.00 0.00 N ATOM 355 CA LEU A 22 -0.048 9.788 -0.625 1.00 0.00 C ATOM 356 C LEU A 22 1.422 10.131 -0.415 1.00 0.00 C ATOM 357 O LEU A 22 2.162 10.377 -1.364 1.00 0.00 O ATOM 358 CB LEU A 22 -0.178 8.319 -1.053 1.00 0.00 C ATOM 359 CG LEU A 22 0.379 7.381 0.023 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.702 7.014 1.040 1.00 0.00 C ATOM 361 CD2 LEU A 22 0.892 6.089 -0.591 1.00 0.00 C ATOM 0 H LEU A 22 -0.244 10.400 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.591 9.949 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.226 8.082 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.356 8.161 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 22 1.194 7.913 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.282 6.348 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.071 7.920 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.525 6.513 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.281 5.442 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.076 5.582 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.687 6.315 -1.302 1.00 0.00 H new ATOM 373 N ASN A 23 1.876 10.161 0.834 1.00 0.00 N ATOM 374 CA ASN A 23 3.277 10.423 1.104 1.00 0.00 C ATOM 375 C ASN A 23 4.132 9.226 0.668 1.00 0.00 C ATOM 376 O ASN A 23 3.862 8.057 0.964 1.00 0.00 O ATOM 377 CB ASN A 23 3.416 10.739 2.611 1.00 0.00 C ATOM 378 CG ASN A 23 4.850 10.999 3.031 1.00 0.00 C ATOM 379 OD1 ASN A 23 5.794 10.992 2.245 1.00 0.00 O ATOM 380 ND2 ASN A 23 5.022 11.226 4.313 1.00 0.00 N ATOM 0 H ASN A 23 1.300 10.009 1.662 1.00 0.00 H new ATOM 0 HA ASN A 23 3.637 11.279 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.809 11.612 2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.019 9.905 3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.958 11.402 4.679 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.220 11.226 4.943 1.00 0.00 H new ATOM 387 N GLU A 24 5.179 9.500 -0.097 1.00 0.00 N ATOM 388 CA GLU A 24 6.128 8.508 -0.565 1.00 0.00 C ATOM 389 C GLU A 24 6.749 7.713 0.590 1.00 0.00 C ATOM 390 O GLU A 24 7.150 6.557 0.431 1.00 0.00 O ATOM 391 CB GLU A 24 7.147 9.238 -1.454 1.00 0.00 C ATOM 392 CG GLU A 24 6.505 9.765 -2.785 1.00 0.00 C ATOM 393 CD GLU A 24 5.430 10.836 -2.603 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.604 11.730 -1.776 1.00 0.00 O ATOM 395 OE2 GLU A 24 4.399 10.752 -3.279 1.00 0.00 O ATOM 0 H GLU A 24 5.395 10.444 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 24 5.633 7.741 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.573 10.076 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.968 8.562 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.296 10.169 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.069 8.921 -3.320 1.00 0.00 H new ATOM 402 N GLU A 25 6.827 8.317 1.781 1.00 0.00 N ATOM 403 CA GLU A 25 7.341 7.649 2.970 1.00 0.00 C ATOM 404 C GLU A 25 6.465 6.428 3.273 1.00 0.00 C ATOM 405 O GLU A 25 6.888 5.274 3.142 1.00 0.00 O ATOM 406 CB GLU A 25 7.448 8.709 4.096 1.00 0.00 C ATOM 407 CG GLU A 25 7.382 8.198 5.557 1.00 0.00 C ATOM 408 CD GLU A 25 5.953 7.890 6.000 1.00 0.00 C ATOM 409 OE1 GLU A 25 5.056 8.690 5.723 1.00 0.00 O ATOM 410 OE2 GLU A 25 5.733 6.835 6.588 1.00 0.00 O ATOM 0 H GLU A 25 6.535 9.281 1.942 1.00 0.00 H new ATOM 0 HA GLU A 25 8.345 7.243 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.389 9.245 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.646 9.434 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.991 7.299 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.812 8.947 6.221 1.00 0.00 H new ATOM 417 N GLN A 26 5.216 6.653 3.675 1.00 0.00 N ATOM 418 CA GLN A 26 4.282 5.567 3.931 1.00 0.00 C ATOM 419 C GLN A 26 4.248 4.605 2.738 1.00 0.00 C ATOM 420 O GLN A 26 4.341 3.399 2.936 1.00 0.00 O ATOM 421 CB GLN A 26 2.910 6.191 4.352 1.00 0.00 C ATOM 422 CG GLN A 26 2.350 7.249 3.354 1.00 0.00 C ATOM 423 CD GLN A 26 1.245 8.135 3.934 1.00 0.00 C ATOM 424 OE1 GLN A 26 0.407 8.792 3.154 1.00 0.00 O flip ATOM 425 NE2 GLN A 26 1.080 8.300 5.133 1.00 0.00 N flip ATOM 0 H GLN A 26 4.829 7.584 3.830 1.00 0.00 H new ATOM 0 HA GLN A 26 4.595 4.938 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.179 5.390 4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.022 6.657 5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.170 7.884 3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.963 6.734 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.688 7.826 5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.335 8.911 5.466 1.00 0.00 H new ATOM 434 N ARG A 27 4.157 5.077 1.485 1.00 0.00 N ATOM 435 CA ARG A 27 4.178 4.207 0.292 1.00 0.00 C ATOM 436 C ARG A 27 5.327 3.205 0.325 1.00 0.00 C ATOM 437 O ARG A 27 5.151 1.993 0.138 1.00 0.00 O ATOM 438 CB ARG A 27 4.321 5.118 -0.933 1.00 0.00 C ATOM 439 CG ARG A 27 3.775 4.558 -2.269 1.00 0.00 C ATOM 440 CD ARG A 27 3.961 5.505 -3.485 1.00 0.00 C ATOM 441 NE ARG A 27 2.871 6.476 -3.600 1.00 0.00 N ATOM 442 CZ ARG A 27 3.073 7.769 -3.458 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.378 8.275 -2.305 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.993 8.584 -4.459 1.00 0.00 N ATOM 0 H ARG A 27 4.067 6.069 1.267 1.00 0.00 H new ATOM 0 HA ARG A 27 3.257 3.625 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.812 6.058 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.378 5.351 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.271 3.611 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.713 4.342 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.909 6.035 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.017 4.914 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 27 1.928 6.141 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.465 7.669 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.531 9.279 -2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.768 8.229 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.155 9.581 -4.319 1.00 0.00 H new ATOM 458 N ASN A 28 6.533 3.725 0.559 1.00 0.00 N ATOM 459 CA ASN A 28 7.695 2.843 0.659 1.00 0.00 C ATOM 460 C ASN A 28 7.575 1.847 1.802 1.00 0.00 C ATOM 461 O ASN A 28 7.841 0.665 1.642 1.00 0.00 O ATOM 462 CB ASN A 28 9.026 3.588 0.776 1.00 0.00 C ATOM 463 CG ASN A 28 9.342 4.276 2.085 1.00 0.00 C ATOM 464 OD1 ASN A 28 9.538 3.678 3.134 1.00 0.00 O ATOM 465 ND2 ASN A 28 9.468 5.576 1.997 1.00 0.00 N ATOM 0 H ASN A 28 6.728 4.719 0.679 1.00 0.00 H new ATOM 0 HA ASN A 28 7.699 2.301 -0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.826 2.877 0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.058 4.340 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.737 6.119 2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.298 6.046 1.108 1.00 0.00 H new ATOM 472 N ALA A 29 7.172 2.341 2.966 1.00 0.00 N ATOM 473 CA ALA A 29 6.963 1.510 4.150 1.00 0.00 C ATOM 474 C ALA A 29 6.032 0.339 3.828 1.00 0.00 C ATOM 475 O ALA A 29 6.265 -0.811 4.205 1.00 0.00 O ATOM 476 CB ALA A 29 6.412 2.379 5.291 1.00 0.00 C ATOM 0 H ALA A 29 6.980 3.331 3.118 1.00 0.00 H new ATOM 0 HA ALA A 29 7.914 1.084 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.255 1.762 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.125 3.170 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.464 2.823 4.985 1.00 0.00 H new ATOM 482 N PHE A 30 4.948 0.640 3.109 1.00 0.00 N ATOM 483 CA PHE A 30 4.003 -0.373 2.669 1.00 0.00 C ATOM 484 C PHE A 30 4.721 -1.347 1.738 1.00 0.00 C ATOM 485 O PHE A 30 4.670 -2.557 1.938 1.00 0.00 O ATOM 486 CB PHE A 30 2.780 0.262 1.982 1.00 0.00 C ATOM 487 CG PHE A 30 1.947 1.077 2.950 1.00 0.00 C ATOM 488 CD1 PHE A 30 1.424 0.413 4.066 1.00 0.00 C ATOM 489 CD2 PHE A 30 1.677 2.441 2.783 1.00 0.00 C ATOM 490 CE1 PHE A 30 0.646 1.069 5.017 1.00 0.00 C ATOM 491 CE2 PHE A 30 0.894 3.121 3.733 1.00 0.00 C ATOM 492 CZ PHE A 30 0.380 2.429 4.852 1.00 0.00 C ATOM 0 H PHE A 30 4.707 1.588 2.820 1.00 0.00 H new ATOM 0 HA PHE A 30 3.627 -0.916 3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.114 0.900 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.163 -0.522 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.630 -0.639 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.069 2.969 1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.255 0.533 5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.686 4.173 3.607 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.220 2.953 5.581 1.00 0.00 H new ATOM 502 N ILE A 31 5.398 -0.839 0.704 1.00 0.00 N ATOM 503 CA ILE A 31 6.162 -1.714 -0.200 1.00 0.00 C ATOM 504 C ILE A 31 7.093 -2.674 0.555 1.00 0.00 C ATOM 505 O ILE A 31 7.118 -3.883 0.326 1.00 0.00 O ATOM 506 CB ILE A 31 6.974 -0.837 -1.195 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.024 -0.295 -2.277 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.213 -1.553 -1.790 1.00 0.00 C ATOM 509 CD1 ILE A 31 6.735 0.509 -3.378 1.00 0.00 C ATOM 0 H ILE A 31 5.435 0.154 0.472 1.00 0.00 H new ATOM 0 HA ILE A 31 5.451 -2.336 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 31 7.397 -0.000 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.494 -1.131 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.273 0.338 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.729 -0.879 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.889 -1.840 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.894 -2.444 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.001 0.859 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.242 1.365 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.466 -0.126 -3.878 1.00 0.00 H new ATOM 521 N GLN A 32 7.857 -2.118 1.487 1.00 0.00 N ATOM 522 CA GLN A 32 8.832 -2.761 2.315 1.00 0.00 C ATOM 523 C GLN A 32 8.205 -3.851 3.180 1.00 0.00 C ATOM 524 O GLN A 32 8.643 -5.000 3.176 1.00 0.00 O ATOM 525 CB GLN A 32 9.419 -1.524 3.040 1.00 0.00 C ATOM 526 CG GLN A 32 9.896 -1.741 4.419 1.00 0.00 C ATOM 527 CD GLN A 32 11.161 -2.540 4.560 1.00 0.00 C ATOM 528 OE1 GLN A 32 11.068 -3.826 4.353 1.00 0.00 O flip ATOM 529 NE2 GLN A 32 12.230 -2.041 4.883 1.00 0.00 N flip ATOM 0 H GLN A 32 7.794 -1.120 1.689 1.00 0.00 H new ATOM 0 HA GLN A 32 9.609 -3.342 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.250 -1.142 2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.657 -0.745 3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.050 -0.768 4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.108 -2.243 4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.296 -1.036 5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.056 -2.630 4.992 1.00 0.00 H new ATOM 538 N SER A 33 7.164 -3.523 3.943 1.00 0.00 N ATOM 539 CA SER A 33 6.502 -4.542 4.753 1.00 0.00 C ATOM 540 C SER A 33 5.870 -5.612 3.872 1.00 0.00 C ATOM 541 O SER A 33 5.983 -6.801 4.168 1.00 0.00 O ATOM 542 CB SER A 33 5.491 -3.908 5.705 1.00 0.00 C ATOM 543 OG SER A 33 5.009 -4.917 6.587 1.00 0.00 O ATOM 0 H SER A 33 6.769 -2.585 4.017 1.00 0.00 H new ATOM 0 HA SER A 33 7.254 -5.037 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.957 -3.101 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.666 -3.469 5.144 1.00 0.00 H new ATOM 0 HG SER A 33 4.359 -4.526 7.207 1.00 0.00 H new ATOM 549 N LEU A 34 5.223 -5.237 2.768 1.00 0.00 N ATOM 550 CA LEU A 34 4.628 -6.172 1.829 1.00 0.00 C ATOM 551 C LEU A 34 5.651 -7.152 1.248 1.00 0.00 C ATOM 552 O LEU A 34 5.371 -8.338 1.070 1.00 0.00 O ATOM 553 CB LEU A 34 3.997 -5.267 0.771 1.00 0.00 C ATOM 554 CG LEU A 34 3.032 -5.900 -0.208 1.00 0.00 C ATOM 555 CD1 LEU A 34 1.886 -6.545 0.563 1.00 0.00 C ATOM 556 CD2 LEU A 34 2.513 -4.777 -1.102 1.00 0.00 C ATOM 0 H LEU A 34 5.099 -4.260 2.503 1.00 0.00 H new ATOM 0 HA LEU A 34 3.895 -6.829 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.473 -4.462 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.803 -4.807 0.199 1.00 0.00 H new ATOM 0 HG LEU A 34 3.512 -6.673 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.188 -7.003 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.282 -7.309 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.367 -5.785 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.810 -5.185 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.009 -4.029 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.349 -4.314 -1.627 1.00 0.00 H new ATOM 568 N LYS A 35 6.842 -6.648 0.916 1.00 0.00 N ATOM 569 CA LYS A 35 7.940 -7.453 0.407 1.00 0.00 C ATOM 570 C LYS A 35 8.507 -8.359 1.493 1.00 0.00 C ATOM 571 O LYS A 35 8.838 -9.521 1.263 1.00 0.00 O ATOM 572 CB LYS A 35 9.076 -6.531 -0.104 1.00 0.00 C ATOM 573 CG LYS A 35 10.301 -7.326 -0.651 1.00 0.00 C ATOM 574 CD LYS A 35 11.631 -6.971 0.058 1.00 0.00 C ATOM 575 CE LYS A 35 12.400 -8.209 0.577 1.00 0.00 C ATOM 576 NZ LYS A 35 11.715 -8.744 1.743 1.00 0.00 N ATOM 0 H LYS A 35 7.067 -5.656 0.996 1.00 0.00 H new ATOM 0 HA LYS A 35 7.552 -8.067 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.687 -5.885 -0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.403 -5.882 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.112 -8.393 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.404 -7.131 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.268 -6.421 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.421 -6.305 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.461 -8.967 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.423 -7.935 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.415 -9.102 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.152 -7.993 2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.087 -9.520 1.451 1.00 0.00 H new ATOM 590 N ASP A 36 8.674 -7.837 2.705 1.00 0.00 N ATOM 591 CA ASP A 36 9.219 -8.631 3.786 1.00 0.00 C ATOM 592 C ASP A 36 8.331 -9.692 4.407 1.00 0.00 C ATOM 593 O ASP A 36 8.780 -10.846 4.421 1.00 0.00 O ATOM 594 CB ASP A 36 9.829 -7.652 4.812 1.00 0.00 C ATOM 595 CG ASP A 36 11.212 -7.282 4.313 1.00 0.00 C ATOM 596 OD1 ASP A 36 11.361 -6.398 3.477 1.00 0.00 O ATOM 597 OD2 ASP A 36 12.136 -8.013 4.637 1.00 0.00 O ATOM 0 H ASP A 36 8.440 -6.876 2.955 1.00 0.00 H new ATOM 0 HA ASP A 36 9.979 -9.278 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.206 -6.763 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.887 -8.114 5.797 1.00 0.00 H new ATOM 602 N ASP A 37 7.112 -9.429 4.882 1.00 0.00 N ATOM 603 CA ASP A 37 6.344 -10.486 5.525 1.00 0.00 C ATOM 604 C ASP A 37 4.830 -10.515 5.313 1.00 0.00 C ATOM 605 O ASP A 37 4.315 -11.554 4.883 1.00 0.00 O ATOM 606 CB ASP A 37 6.793 -10.498 7.008 1.00 0.00 C ATOM 607 CG ASP A 37 8.174 -11.123 7.151 1.00 0.00 C ATOM 608 OD1 ASP A 37 8.356 -12.287 6.795 1.00 0.00 O ATOM 609 OD2 ASP A 37 9.093 -10.412 7.544 1.00 0.00 O ATOM 0 H ASP A 37 6.650 -8.521 4.835 1.00 0.00 H new ATOM 0 HA ASP A 37 6.576 -11.424 5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.808 -9.480 7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.073 -11.056 7.606 1.00 0.00 H new ATOM 614 N PRO A 38 4.045 -9.493 5.653 1.00 0.00 N ATOM 615 CA PRO A 38 2.604 -9.452 5.430 1.00 0.00 C ATOM 616 C PRO A 38 2.135 -9.948 4.059 1.00 0.00 C ATOM 617 O PRO A 38 2.565 -9.530 2.986 1.00 0.00 O ATOM 618 CB PRO A 38 2.275 -7.999 5.688 1.00 0.00 C ATOM 619 CG PRO A 38 3.172 -7.708 6.885 1.00 0.00 C ATOM 620 CD PRO A 38 4.489 -8.415 6.517 1.00 0.00 C ATOM 0 HA PRO A 38 2.075 -10.147 6.082 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.509 -7.365 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.220 -7.849 5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.316 -6.637 7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.749 -8.100 7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.179 -7.744 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.006 -8.791 7.400 1.00 0.00 H new ATOM 628 N SER A 39 1.188 -10.873 4.179 1.00 0.00 N ATOM 629 CA SER A 39 0.570 -11.581 3.071 1.00 0.00 C ATOM 630 C SER A 39 -0.798 -11.008 2.717 1.00 0.00 C ATOM 631 O SER A 39 -1.265 -11.084 1.580 1.00 0.00 O ATOM 632 CB SER A 39 0.453 -13.056 3.456 1.00 0.00 C ATOM 633 OG SER A 39 0.020 -13.811 2.330 1.00 0.00 O ATOM 0 H SER A 39 0.818 -11.158 5.086 1.00 0.00 H new ATOM 0 HA SER A 39 1.192 -11.466 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.415 -13.428 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.253 -13.173 4.278 1.00 0.00 H new ATOM 0 HG SER A 39 -0.053 -14.756 2.578 1.00 0.00 H new ATOM 639 N GLN A 40 -1.456 -10.442 3.732 1.00 0.00 N ATOM 640 CA GLN A 40 -2.753 -9.791 3.619 1.00 0.00 C ATOM 641 C GLN A 40 -2.593 -8.376 3.045 1.00 0.00 C ATOM 642 O GLN A 40 -2.867 -7.335 3.647 1.00 0.00 O ATOM 643 CB GLN A 40 -3.433 -9.806 5.013 1.00 0.00 C ATOM 644 CG GLN A 40 -2.556 -9.272 6.190 1.00 0.00 C ATOM 645 CD GLN A 40 -1.621 -10.326 6.769 1.00 0.00 C ATOM 646 OE1 GLN A 40 -0.448 -10.441 6.417 1.00 0.00 O ATOM 647 NE2 GLN A 40 -2.107 -11.131 7.694 1.00 0.00 N ATOM 0 H GLN A 40 -1.085 -10.427 4.682 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.397 -10.328 2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.344 -9.210 4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.734 -10.828 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.966 -8.425 5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.208 -8.900 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.079 -11.040 7.990 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.511 -11.844 8.114 1.00 0.00 H new ATOM 656 N SER A 41 -2.112 -8.370 1.808 1.00 0.00 N ATOM 657 CA SER A 41 -1.858 -7.131 1.078 1.00 0.00 C ATOM 658 C SER A 41 -3.082 -6.232 0.994 1.00 0.00 C ATOM 659 O SER A 41 -2.969 -5.013 1.097 1.00 0.00 O ATOM 660 CB SER A 41 -1.363 -7.471 -0.313 1.00 0.00 C ATOM 661 OG SER A 41 -2.422 -8.005 -1.086 1.00 0.00 O ATOM 0 H SER A 41 -1.888 -9.216 1.284 1.00 0.00 H new ATOM 0 HA SER A 41 -1.101 -6.572 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.964 -6.578 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.547 -8.191 -0.252 1.00 0.00 H new ATOM 0 HG SER A 41 -2.898 -7.276 -1.537 1.00 0.00 H new ATOM 667 N ALA A 42 -4.268 -6.813 0.816 1.00 0.00 N ATOM 668 CA ALA A 42 -5.513 -6.062 0.777 1.00 0.00 C ATOM 669 C ALA A 42 -5.642 -5.197 2.032 1.00 0.00 C ATOM 670 O ALA A 42 -6.076 -4.050 1.974 1.00 0.00 O ATOM 671 CB ALA A 42 -6.675 -7.070 0.681 1.00 0.00 C ATOM 0 H ALA A 42 -4.388 -7.819 0.695 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.532 -5.397 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.622 -6.531 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.566 -7.665 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.659 -7.727 1.550 1.00 0.00 H new ATOM 677 N ASN A 43 -5.238 -5.727 3.192 1.00 0.00 N ATOM 678 CA ASN A 43 -5.283 -4.958 4.425 1.00 0.00 C ATOM 679 C ASN A 43 -4.202 -3.878 4.371 1.00 0.00 C ATOM 680 O ASN A 43 -4.515 -2.698 4.494 1.00 0.00 O ATOM 681 CB ASN A 43 -5.111 -5.879 5.658 1.00 0.00 C ATOM 682 CG ASN A 43 -6.272 -6.856 5.776 1.00 0.00 C ATOM 683 OD1 ASN A 43 -6.362 -7.833 5.043 1.00 0.00 O ATOM 684 ND2 ASN A 43 -7.186 -6.660 6.713 1.00 0.00 N ATOM 0 H ASN A 43 -4.881 -6.677 3.295 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.257 -4.479 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.174 -6.430 5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.047 -5.274 6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.957 -7.320 6.820 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.120 -5.849 7.328 1.00 0.00 H new ATOM 691 N LEU A 44 -2.925 -4.214 4.151 1.00 0.00 N ATOM 692 CA LEU A 44 -1.848 -3.207 4.138 1.00 0.00 C ATOM 693 C LEU A 44 -2.113 -2.096 3.090 1.00 0.00 C ATOM 694 O LEU A 44 -1.671 -0.940 3.141 1.00 0.00 O ATOM 695 CB LEU A 44 -0.540 -3.970 3.819 1.00 0.00 C ATOM 696 CG LEU A 44 0.738 -3.137 3.789 1.00 0.00 C ATOM 697 CD1 LEU A 44 1.229 -2.865 5.221 1.00 0.00 C ATOM 698 CD2 LEU A 44 1.855 -3.887 3.077 1.00 0.00 C ATOM 0 H LEU A 44 -2.610 -5.169 3.980 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.786 -2.701 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.416 -4.761 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.655 -4.456 2.850 1.00 0.00 H new ATOM 0 HG LEU A 44 0.506 -2.208 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.141 -2.270 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.462 -2.321 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.432 -3.812 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.756 -3.274 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.057 -4.821 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.553 -4.103 2.052 1.00 0.00 H new ATOM 710 N LEU A 45 -2.923 -2.498 2.112 1.00 0.00 N ATOM 711 CA LEU A 45 -3.317 -1.696 0.969 1.00 0.00 C ATOM 712 C LEU A 45 -4.368 -0.737 1.452 1.00 0.00 C ATOM 713 O LEU A 45 -4.261 0.466 1.261 1.00 0.00 O ATOM 714 CB LEU A 45 -3.886 -2.545 -0.178 1.00 0.00 C ATOM 715 CG LEU A 45 -4.488 -1.684 -1.303 1.00 0.00 C ATOM 716 CD1 LEU A 45 -3.450 -0.699 -1.845 1.00 0.00 C ATOM 717 CD2 LEU A 45 -5.089 -2.573 -2.404 1.00 0.00 C ATOM 0 H LEU A 45 -3.336 -3.430 2.100 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.441 -1.183 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.095 -3.173 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.653 -3.213 0.214 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.305 -1.089 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.896 -0.100 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.116 -0.044 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.598 -1.250 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.509 -1.945 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.309 -3.208 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.875 -3.197 -1.979 1.00 0.00 H new ATOM 729 N ALA A 46 -5.405 -1.282 2.086 1.00 0.00 N ATOM 730 CA ALA A 46 -6.471 -0.480 2.661 1.00 0.00 C ATOM 731 C ALA A 46 -5.829 0.571 3.563 1.00 0.00 C ATOM 732 O ALA A 46 -6.316 1.703 3.667 1.00 0.00 O ATOM 733 CB ALA A 46 -7.424 -1.388 3.453 1.00 0.00 C ATOM 0 H ALA A 46 -5.525 -2.287 2.212 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.054 0.016 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.224 -0.787 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.852 -2.136 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.873 -1.886 4.251 1.00 0.00 H new ATOM 739 N GLU A 47 -4.712 0.167 4.195 1.00 0.00 N ATOM 740 CA GLU A 47 -3.967 1.097 5.045 1.00 0.00 C ATOM 741 C GLU A 47 -3.405 2.249 4.226 1.00 0.00 C ATOM 742 O GLU A 47 -3.705 3.423 4.468 1.00 0.00 O ATOM 743 CB GLU A 47 -2.838 0.423 5.868 1.00 0.00 C ATOM 744 CG GLU A 47 -3.330 -0.691 6.828 1.00 0.00 C ATOM 745 CD GLU A 47 -4.573 -0.308 7.627 1.00 0.00 C ATOM 746 OE1 GLU A 47 -4.639 0.817 8.129 1.00 0.00 O ATOM 747 OE2 GLU A 47 -5.469 -1.142 7.736 1.00 0.00 O ATOM 0 H GLU A 47 -4.318 -0.772 4.133 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.688 1.480 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.107 -0.002 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.322 1.187 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.544 -1.589 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.527 -0.942 7.521 1.00 0.00 H new ATOM 754 N ALA A 48 -2.571 1.934 3.232 1.00 0.00 N ATOM 755 CA ALA A 48 -2.030 2.982 2.361 1.00 0.00 C ATOM 756 C ALA A 48 -3.124 3.896 1.794 1.00 0.00 C ATOM 757 O ALA A 48 -3.014 5.126 1.746 1.00 0.00 O ATOM 758 CB ALA A 48 -1.244 2.300 1.222 1.00 0.00 C ATOM 0 H ALA A 48 -2.261 0.987 3.013 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.375 3.624 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.831 3.060 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.433 1.707 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.912 1.650 0.657 1.00 0.00 H new ATOM 764 N LYS A 49 -4.221 3.282 1.364 1.00 0.00 N ATOM 765 CA LYS A 49 -5.363 4.005 0.848 1.00 0.00 C ATOM 766 C LYS A 49 -5.956 4.893 1.936 1.00 0.00 C ATOM 767 O LYS A 49 -6.318 6.029 1.659 1.00 0.00 O ATOM 768 CB LYS A 49 -6.380 2.966 0.364 1.00 0.00 C ATOM 769 CG LYS A 49 -7.748 3.515 -0.134 1.00 0.00 C ATOM 770 CD LYS A 49 -7.774 4.133 -1.552 1.00 0.00 C ATOM 771 CE LYS A 49 -7.070 5.488 -1.738 1.00 0.00 C ATOM 772 NZ LYS A 49 -7.604 6.507 -0.849 1.00 0.00 N ATOM 0 H LYS A 49 -4.337 2.269 1.366 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.075 4.656 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.926 2.395 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.569 2.267 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.472 2.701 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.089 4.271 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.322 3.419 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.816 4.249 -1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.002 5.370 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.181 5.815 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.395 7.449 -1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.634 6.389 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.166 6.413 0.090 1.00 0.00 H new ATOM 786 N LYS A 50 -6.036 4.411 3.184 1.00 0.00 N ATOM 787 CA LYS A 50 -6.584 5.171 4.305 1.00 0.00 C ATOM 788 C LYS A 50 -5.745 6.425 4.463 1.00 0.00 C ATOM 789 O LYS A 50 -6.243 7.523 4.692 1.00 0.00 O ATOM 790 CB LYS A 50 -6.566 4.329 5.590 1.00 0.00 C ATOM 791 CG LYS A 50 -7.951 3.998 6.179 1.00 0.00 C ATOM 792 CD LYS A 50 -8.753 2.876 5.477 1.00 0.00 C ATOM 793 CE LYS A 50 -9.524 3.286 4.205 1.00 0.00 C ATOM 794 NZ LYS A 50 -8.644 3.396 3.053 1.00 0.00 N ATOM 0 H LYS A 50 -5.719 3.476 3.441 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.623 5.438 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.044 3.395 5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.986 4.860 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.819 3.719 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.553 4.907 6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.063 2.073 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.465 2.465 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.302 2.551 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.023 4.240 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.508 4.399 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.724 2.965 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.070 2.902 2.243 1.00 0.00 H new ATOM 808 N LEU A 51 -4.432 6.254 4.330 1.00 0.00 N ATOM 809 CA LEU A 51 -3.554 7.407 4.405 1.00 0.00 C ATOM 810 C LEU A 51 -3.865 8.360 3.251 1.00 0.00 C ATOM 811 O LEU A 51 -4.080 9.550 3.460 1.00 0.00 O ATOM 812 CB LEU A 51 -2.100 6.936 4.484 1.00 0.00 C ATOM 813 CG LEU A 51 -1.845 6.360 5.889 1.00 0.00 C ATOM 814 CD1 LEU A 51 -0.571 5.536 5.922 1.00 0.00 C ATOM 815 CD2 LEU A 51 -1.726 7.498 6.912 1.00 0.00 C ATOM 0 H LEU A 51 -3.969 5.358 4.175 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.724 7.984 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.906 6.179 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.422 7.767 4.287 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.689 5.717 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.418 5.143 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.655 4.709 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.276 6.164 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.546 7.080 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.897 8.149 6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.651 8.074 6.924 1.00 0.00 H new ATOM 827 N ASN A 52 -3.927 7.880 2.004 1.00 0.00 N ATOM 828 CA ASN A 52 -4.280 8.732 0.866 1.00 0.00 C ATOM 829 C ASN A 52 -5.555 9.525 1.159 1.00 0.00 C ATOM 830 O ASN A 52 -5.659 10.711 0.862 1.00 0.00 O ATOM 831 CB ASN A 52 -4.427 7.859 -0.412 1.00 0.00 C ATOM 832 CG ASN A 52 -5.133 8.556 -1.557 1.00 0.00 C ATOM 833 OD1 ASN A 52 -6.285 8.971 -1.472 1.00 0.00 O ATOM 834 ND2 ASN A 52 -4.486 8.703 -2.686 1.00 0.00 N ATOM 0 H ASN A 52 -3.738 6.908 1.759 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.483 9.456 0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.436 7.550 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.976 6.952 -0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.940 9.157 -3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.528 8.364 -2.773 1.00 0.00 H new ATOM 841 N ASP A 53 -6.505 8.824 1.770 1.00 0.00 N ATOM 842 CA ASP A 53 -7.786 9.384 2.184 1.00 0.00 C ATOM 843 C ASP A 53 -7.617 10.527 3.191 1.00 0.00 C ATOM 844 O ASP A 53 -8.166 11.617 3.042 1.00 0.00 O ATOM 845 CB ASP A 53 -8.724 8.282 2.751 1.00 0.00 C ATOM 846 CG ASP A 53 -9.097 7.232 1.721 1.00 0.00 C ATOM 847 OD1 ASP A 53 -9.457 7.585 0.600 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.022 6.039 2.015 1.00 0.00 O ATOM 0 H ASP A 53 -6.404 7.834 1.995 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.252 9.804 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.236 7.797 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.633 8.747 3.133 1.00 0.00 H new ATOM 853 N ALA A 54 -6.832 10.266 4.236 1.00 0.00 N ATOM 854 CA ALA A 54 -6.509 11.233 5.275 1.00 0.00 C ATOM 855 C ALA A 54 -5.891 12.503 4.693 1.00 0.00 C ATOM 856 O ALA A 54 -6.201 13.621 5.092 1.00 0.00 O ATOM 857 CB ALA A 54 -5.554 10.554 6.273 1.00 0.00 C ATOM 0 H ALA A 54 -6.396 9.356 4.383 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.422 11.545 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.295 11.257 7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.042 9.682 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.648 10.241 5.754 1.00 0.00 H new ATOM 863 N GLN A 55 -4.977 12.321 3.741 1.00 0.00 N ATOM 864 CA GLN A 55 -4.348 13.439 3.059 1.00 0.00 C ATOM 865 C GLN A 55 -5.253 14.224 2.118 1.00 0.00 C ATOM 866 O GLN A 55 -5.368 15.442 2.216 1.00 0.00 O ATOM 867 CB GLN A 55 -3.100 12.958 2.344 1.00 0.00 C ATOM 868 CG GLN A 55 -2.015 12.508 3.351 1.00 0.00 C ATOM 869 CD GLN A 55 -1.755 11.050 3.408 1.00 0.00 C ATOM 870 OE1 GLN A 55 -1.559 10.488 2.254 1.00 0.00 O flip ATOM 871 NE2 GLN A 55 -1.613 10.424 4.450 1.00 0.00 N flip ATOM 0 H GLN A 55 -4.658 11.404 3.427 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.091 14.157 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.353 12.129 1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.707 13.757 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.083 13.015 3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.306 12.845 4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.772 10.884 5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.336 9.443 4.422 1.00 0.00 H new ATOM 880 N ALA A 56 -5.890 13.544 1.179 1.00 0.00 N ATOM 881 CA ALA A 56 -6.754 14.180 0.185 1.00 0.00 C ATOM 882 C ALA A 56 -8.247 14.312 0.531 1.00 0.00 C ATOM 883 O ALA A 56 -8.687 15.425 0.825 1.00 0.00 O ATOM 884 CB ALA A 56 -6.505 13.506 -1.168 1.00 0.00 C ATOM 0 H ALA A 56 -5.825 12.531 1.080 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.465 15.231 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.140 13.965 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.459 13.629 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.739 12.444 -1.094 1.00 0.00 H new