USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 767 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: B 38 GLN : amide:sc= 0.315 K(o=1.8,f=0.18) USER MOD Set 1.2: B 39 GLN : amide:sc= 1.44 K(o=1.8,f=0.18) USER MOD Set 2.1: B 17 CYS SG : rot 176:sc= 0.393 USER MOD Set 2.2: B 46 SER OG : rot 149:sc= 0.83 USER MOD Set 3.1: B 16 CYS SG : rot 132:sc= 2.55 USER MOD Set 3.2: B 19 CYS SG : rot 84:sc= 0.666 USER MOD Set 3.3: B 49 CYS SG : rot 10:sc= 2.01 USER MOD Set 3.4: B 52 CYS SG : rot -168:sc= 1.24 USER MOD Set 4.1: B 8 GLN : amide:sc= 0.498 X(o=1.4,f=1) USER MOD Set 4.2: B 30 SER OG : rot 180:sc= 0.858 USER MOD Set 5.1: A 16 CYS SG : rot -157:sc= 0.146! USER MOD Set 5.2: A 19 CYS SG : rot -20:sc= 0.0113! USER MOD Set 5.3: A 49 CYS SG : rot -56:sc= 0.541 USER MOD Set 5.4: A 52 CYS SG : rot -135:sc= -2.18! USER MOD Set 6.1: A 38 GLN : amide:sc= 0.702 K(o=2.7,f=-0.042) USER MOD Set 6.2: A 39 GLN : amide:sc= 1.95 K(o=2.7,f=-0.042) USER MOD Set 7.1: A 8 GLN : amide:sc= -0.0992 K(o=-0.078,f=0.71) USER MOD Set 7.2: A 30 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 10 HIS : no HE2:sc= -0.565 K(o=-0.56,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.11) USER MOD Single : A 14 CYS SG : rot -150:sc= 0.235 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 120:sc= 0 USER MOD Single : A 29 SER OG : rot 174:sc= 0.788 USER MOD Single : A 36 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 109:sc= 0.514 USER MOD Single : A 54 THR OG1 : rot 89:sc= 1.17 USER MOD Single : A 55 ASN : amide:sc= -0.57 K(o=-0.57,f=-2.7!) USER MOD Single : B 10 HIS : no HE2:sc= 0.358 K(o=0.36,f=-4.3!) USER MOD Single : B 11 LYS NZ :NH3+ 154:sc= 1.14 (180deg=1.08) USER MOD Single : B 14 CYS SG : rot -157:sc= 1.2 USER MOD Single : B 18 LYS NZ :NH3+ 179:sc= 0.274 (180deg=0.269) USER MOD Single : B 26 THR OG1 : rot 6:sc= 0.138 USER MOD Single : B 29 SER OG : rot -160:sc= -0.599 USER MOD Single : B 36 THR OG1 : rot 86:sc= 1.28 USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 THR OG1 : rot 5:sc= 1 USER MOD Single : B 54 THR OG1 : rot 82:sc= 1.17 USER MOD Single : B 55 ASN : amide:sc= 1.11 K(o=1.1,f=-0.022) USER MOD Single : B 56 GLN : amide:sc= 0.942 K(o=0.94,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 -14.303 -3.189 0.097 1.00 0.00 N ATOM 93 CA GLN A 8 -13.130 -2.907 -0.687 1.00 0.00 C ATOM 94 C GLN A 8 -12.332 -1.755 -0.063 1.00 0.00 C ATOM 95 O GLN A 8 -11.295 -2.035 0.528 1.00 0.00 O ATOM 96 CB GLN A 8 -13.514 -2.804 -2.170 1.00 0.00 C ATOM 97 CG GLN A 8 -13.391 -4.122 -2.954 1.00 0.00 C ATOM 98 CD GLN A 8 -14.175 -5.286 -2.342 1.00 0.00 C ATOM 99 OE1 GLN A 8 -15.348 -5.172 -2.008 1.00 0.00 O ATOM 100 NE2 GLN A 8 -13.527 -6.431 -2.174 1.00 0.00 N ATOM 0 HA GLN A 8 -12.412 -3.727 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.542 -2.448 -2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.882 -2.053 -2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.739 -3.960 -3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.339 -4.399 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.550 -6.511 -2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.005 -7.232 -1.762 1.00 0.00 H new ATOM 109 N ARG A 9 -12.774 -0.498 -0.183 1.00 0.00 N ATOM 110 CA ARG A 9 -12.134 0.736 0.300 1.00 0.00 C ATOM 111 C ARG A 9 -11.801 0.692 1.802 1.00 0.00 C ATOM 112 O ARG A 9 -12.539 1.228 2.628 1.00 0.00 O ATOM 113 CB ARG A 9 -13.047 1.927 -0.067 1.00 0.00 C ATOM 114 CG ARG A 9 -12.369 3.301 -0.026 1.00 0.00 C ATOM 115 CD ARG A 9 -12.862 4.199 1.124 1.00 0.00 C ATOM 116 NE ARG A 9 -12.516 5.624 0.920 1.00 0.00 N ATOM 117 CZ ARG A 9 -13.143 6.485 0.099 1.00 0.00 C ATOM 118 NH1 ARG A 9 -14.169 6.078 -0.649 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.733 7.749 0.020 1.00 0.00 N ATOM 0 H ARG A 9 -13.656 -0.299 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.167 0.851 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.445 1.765 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.897 1.938 0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.292 3.162 0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.543 3.811 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.943 4.101 1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.427 3.854 2.062 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.726 5.988 1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.483 5.109 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.640 6.736 -1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.943 8.065 0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.209 8.402 -0.603 1.00 0.00 H new ATOM 133 N HIS A 10 -10.661 0.101 2.162 1.00 0.00 N ATOM 134 CA HIS A 10 -10.264 -0.181 3.533 1.00 0.00 C ATOM 135 C HIS A 10 -8.928 0.501 3.839 1.00 0.00 C ATOM 136 O HIS A 10 -8.233 0.966 2.938 1.00 0.00 O ATOM 137 CB HIS A 10 -10.155 -1.697 3.729 1.00 0.00 C ATOM 138 CG HIS A 10 -11.418 -2.509 3.542 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.465 -3.841 3.202 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.713 -2.074 3.631 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.753 -4.201 3.117 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.553 -3.163 3.385 1.00 0.00 N ATOM 0 H HIS A 10 -9.967 -0.203 1.479 1.00 0.00 H new ATOM 0 HA HIS A 10 -11.014 0.210 4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.404 -2.075 3.035 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.780 -1.882 4.736 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.661 -4.448 3.043 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -13.030 -1.066 3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.098 -5.193 2.866 1.00 0.00 H new ATOM 150 N LYS A 11 -8.571 0.586 5.124 1.00 0.00 N ATOM 151 CA LYS A 11 -7.495 1.443 5.608 1.00 0.00 C ATOM 152 C LYS A 11 -6.696 0.698 6.667 1.00 0.00 C ATOM 153 O LYS A 11 -7.148 0.568 7.802 1.00 0.00 O ATOM 154 CB LYS A 11 -8.053 2.772 6.142 1.00 0.00 C ATOM 155 CG LYS A 11 -8.544 3.715 5.025 1.00 0.00 C ATOM 156 CD LYS A 11 -10.065 3.756 4.816 1.00 0.00 C ATOM 157 CE LYS A 11 -10.831 4.381 5.993 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.485 5.803 6.219 1.00 0.00 N ATOM 0 H LYS A 11 -9.029 0.053 5.863 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.827 1.690 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.878 2.565 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.280 3.277 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.198 4.724 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.074 3.416 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.284 4.321 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.429 2.741 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.902 4.299 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.620 3.813 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.092 6.193 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.489 5.876 6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.631 6.340 5.340 1.00 0.00 H new ATOM 172 N ILE A 12 -5.522 0.192 6.288 1.00 0.00 N ATOM 173 CA ILE A 12 -4.585 -0.429 7.211 1.00 0.00 C ATOM 174 C ILE A 12 -3.685 0.695 7.726 1.00 0.00 C ATOM 175 O ILE A 12 -2.768 1.122 7.036 1.00 0.00 O ATOM 176 CB ILE A 12 -3.756 -1.541 6.528 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.598 -2.576 5.754 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.868 -2.207 7.600 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.727 -3.407 4.803 1.00 0.00 C ATOM 0 H ILE A 12 -5.196 0.204 5.321 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.116 -0.918 8.028 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.141 -1.076 5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.103 -3.237 6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.374 -2.064 5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.273 -2.996 7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.205 -1.461 8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.498 -2.635 8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.351 -4.127 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.243 -2.747 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.967 -3.938 5.376 1.00 0.00 H new ATOM 191 N LEU A 13 -3.934 1.216 8.921 1.00 0.00 N ATOM 192 CA LEU A 13 -3.027 2.158 9.543 1.00 0.00 C ATOM 193 C LEU A 13 -1.736 1.437 9.908 1.00 0.00 C ATOM 194 O LEU A 13 -1.733 0.545 10.756 1.00 0.00 O ATOM 195 CB LEU A 13 -3.681 2.863 10.731 1.00 0.00 C ATOM 196 CG LEU A 13 -2.849 4.093 11.154 1.00 0.00 C ATOM 197 CD1 LEU A 13 -3.806 5.184 11.626 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.833 3.792 12.264 1.00 0.00 C ATOM 0 H LEU A 13 -4.761 0.998 9.476 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.779 2.952 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.692 3.174 10.466 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.770 2.171 11.568 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.272 4.411 10.286 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.236 6.062 11.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.481 5.453 10.813 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.386 4.818 12.473 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.284 4.701 12.511 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.357 3.433 13.150 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.135 3.028 11.921 1.00 0.00 H new ATOM 210 N CYS A 14 -0.652 1.837 9.252 1.00 0.00 N ATOM 211 CA CYS A 14 0.705 1.399 9.515 1.00 0.00 C ATOM 212 C CYS A 14 1.603 2.631 9.721 1.00 0.00 C ATOM 213 O CYS A 14 1.115 3.764 9.811 1.00 0.00 O ATOM 214 CB CYS A 14 1.158 0.514 8.344 1.00 0.00 C ATOM 215 SG CYS A 14 2.466 -0.628 8.870 1.00 0.00 S ATOM 0 H CYS A 14 -0.704 2.508 8.486 1.00 0.00 H new ATOM 0 HA CYS A 14 0.769 0.806 10.427 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.309 -0.051 7.959 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.521 1.139 7.528 1.00 0.00 H new ATOM 0 HG CYS A 14 3.246 -0.888 7.863 1.00 0.00 H new ATOM 221 N VAL A 15 2.919 2.412 9.780 1.00 0.00 N ATOM 222 CA VAL A 15 3.914 3.474 9.808 1.00 0.00 C ATOM 223 C VAL A 15 4.926 3.267 8.681 1.00 0.00 C ATOM 224 O VAL A 15 5.115 2.154 8.186 1.00 0.00 O ATOM 225 CB VAL A 15 4.588 3.608 11.191 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.583 4.088 12.248 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.260 2.309 11.663 1.00 0.00 C ATOM 0 H VAL A 15 3.324 1.476 9.810 1.00 0.00 H new ATOM 0 HA VAL A 15 3.408 4.424 9.638 1.00 0.00 H new ATOM 0 HB VAL A 15 5.374 4.353 11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.083 4.174 13.213 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.186 5.060 11.957 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.766 3.371 12.325 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.715 2.469 12.641 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.513 1.518 11.735 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.029 2.017 10.948 1.00 0.00 H new ATOM 237 N CYS A 16 5.558 4.365 8.273 1.00 0.00 N ATOM 238 CA CYS A 16 6.565 4.406 7.232 1.00 0.00 C ATOM 239 C CYS A 16 7.900 3.925 7.801 1.00 0.00 C ATOM 240 O CYS A 16 8.394 4.525 8.752 1.00 0.00 O ATOM 241 CB CYS A 16 6.704 5.858 6.763 1.00 0.00 C ATOM 242 SG CYS A 16 7.560 5.801 5.181 1.00 0.00 S ATOM 0 H CYS A 16 5.371 5.282 8.678 1.00 0.00 H new ATOM 0 HA CYS A 16 6.279 3.764 6.399 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.726 6.328 6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.265 6.448 7.487 1.00 0.00 H new ATOM 0 HG CYS A 16 8.142 6.942 4.961 1.00 0.00 H new ATOM 247 N CYS A 17 8.530 2.898 7.229 1.00 0.00 N ATOM 248 CA CYS A 17 9.726 2.320 7.849 1.00 0.00 C ATOM 249 C CYS A 17 10.922 3.282 7.834 1.00 0.00 C ATOM 250 O CYS A 17 11.767 3.214 8.725 1.00 0.00 O ATOM 251 CB CYS A 17 10.090 1.001 7.165 1.00 0.00 C ATOM 252 SG CYS A 17 11.081 -0.063 8.247 1.00 0.00 S ATOM 0 H CYS A 17 8.241 2.456 6.356 1.00 0.00 H new ATOM 0 HA CYS A 17 9.487 2.131 8.895 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.179 0.478 6.875 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.645 1.207 6.249 1.00 0.00 H new ATOM 0 HG CYS A 17 11.364 -1.170 7.626 1.00 0.00 H new ATOM 258 N LYS A 18 11.009 4.199 6.856 1.00 0.00 N ATOM 259 CA LYS A 18 12.190 5.034 6.697 1.00 0.00 C ATOM 260 C LYS A 18 12.073 6.337 7.494 1.00 0.00 C ATOM 261 O LYS A 18 13.084 7.008 7.686 1.00 0.00 O ATOM 262 CB LYS A 18 12.449 5.230 5.190 1.00 0.00 C ATOM 263 CG LYS A 18 11.458 6.189 4.509 1.00 0.00 C ATOM 264 CD LYS A 18 11.966 7.637 4.521 1.00 0.00 C ATOM 265 CE LYS A 18 12.603 8.017 3.190 1.00 0.00 C ATOM 266 NZ LYS A 18 13.259 9.339 3.299 1.00 0.00 N ATOM 0 H LYS A 18 10.274 4.373 6.171 1.00 0.00 H new ATOM 0 HA LYS A 18 13.066 4.543 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.461 5.610 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.401 4.261 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.293 5.870 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.495 6.137 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.138 8.312 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.694 7.762 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.334 7.263 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.843 8.043 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.690 9.589 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.552 10.057 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.996 9.301 4.031 1.00 0.00 H new ATOM 280 N CYS A 19 10.861 6.723 7.924 1.00 0.00 N ATOM 281 CA CYS A 19 10.590 8.008 8.539 1.00 0.00 C ATOM 282 C CYS A 19 9.596 7.963 9.713 1.00 0.00 C ATOM 283 O CYS A 19 9.282 9.018 10.255 1.00 0.00 O ATOM 284 CB CYS A 19 10.149 8.968 7.430 1.00 0.00 C ATOM 285 SG CYS A 19 8.775 8.529 6.324 1.00 0.00 S ATOM 0 H CYS A 19 10.034 6.131 7.847 1.00 0.00 H new ATOM 0 HA CYS A 19 11.506 8.362 9.012 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.889 9.913 7.907 1.00 0.00 H new ATOM 0 HB3 CYS A 19 11.020 9.157 6.802 1.00 0.00 H new ATOM 0 HG CYS A 19 8.587 7.243 6.355 1.00 0.00 H new ATOM 290 N ASP A 20 9.108 6.777 10.106 1.00 0.00 N ATOM 291 CA ASP A 20 8.125 6.516 11.169 1.00 0.00 C ATOM 292 C ASP A 20 6.850 7.368 11.052 1.00 0.00 C ATOM 293 O ASP A 20 6.157 7.637 12.031 1.00 0.00 O ATOM 294 CB ASP A 20 8.795 6.558 12.553 1.00 0.00 C ATOM 295 CG ASP A 20 7.936 5.903 13.645 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.314 4.856 13.345 1.00 0.00 O ATOM 297 OD2 ASP A 20 7.967 6.418 14.785 1.00 0.00 O ATOM 0 H ASP A 20 9.412 5.913 9.657 1.00 0.00 H new ATOM 0 HA ASP A 20 7.757 5.499 11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.759 6.052 12.502 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.994 7.595 12.825 1.00 0.00 H new ATOM 302 N GLY A 21 6.520 7.805 9.830 1.00 0.00 N ATOM 303 CA GLY A 21 5.329 8.610 9.602 1.00 0.00 C ATOM 304 C GLY A 21 4.096 7.721 9.612 1.00 0.00 C ATOM 305 O GLY A 21 4.137 6.589 9.139 1.00 0.00 O ATOM 0 H GLY A 21 7.065 7.611 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.243 9.375 10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.407 9.128 8.646 1.00 0.00 H new ATOM 309 N ARG A 22 2.989 8.266 10.106 1.00 0.00 N ATOM 310 CA ARG A 22 1.675 7.623 10.151 1.00 0.00 C ATOM 311 C ARG A 22 1.171 7.439 8.722 1.00 0.00 C ATOM 312 O ARG A 22 0.987 8.442 8.031 1.00 0.00 O ATOM 313 CB ARG A 22 0.748 8.517 10.999 1.00 0.00 C ATOM 314 CG ARG A 22 -0.708 8.044 11.162 1.00 0.00 C ATOM 315 CD ARG A 22 -1.676 8.621 10.113 1.00 0.00 C ATOM 316 NE ARG A 22 -3.074 8.459 10.551 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.172 8.534 9.786 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.142 8.991 8.538 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.346 8.111 10.243 1.00 0.00 N ATOM 0 H ARG A 22 2.980 9.206 10.503 1.00 0.00 H new ATOM 0 HA ARG A 22 1.712 6.635 10.610 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.187 8.617 11.992 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.735 9.512 10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.734 6.956 11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.060 8.320 12.156 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.460 9.677 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.528 8.117 9.158 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.222 8.270 11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.260 9.301 8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.001 9.032 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.418 7.725 11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.175 8.173 9.652 1.00 0.00 H new ATOM 333 N ILE A 23 0.908 6.199 8.285 1.00 0.00 N ATOM 334 CA ILE A 23 0.334 5.941 6.967 1.00 0.00 C ATOM 335 C ILE A 23 -0.954 5.144 7.134 1.00 0.00 C ATOM 336 O ILE A 23 -0.937 3.977 7.515 1.00 0.00 O ATOM 337 CB ILE A 23 1.288 5.230 5.978 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.763 5.669 6.066 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.715 5.508 4.571 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.662 4.868 5.115 1.00 0.00 C ATOM 0 H ILE A 23 1.087 5.358 8.833 1.00 0.00 H new ATOM 0 HA ILE A 23 0.136 6.914 6.517 1.00 0.00 H new ATOM 0 HB ILE A 23 1.323 4.169 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.840 6.730 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.117 5.545 7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.345 5.031 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.296 5.106 4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.691 6.583 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.692 5.212 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.608 3.809 5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.326 5.013 4.088 1.00 0.00 H new ATOM 352 N GLU A 24 -2.080 5.774 6.819 1.00 0.00 N ATOM 353 CA GLU A 24 -3.364 5.111 6.677 1.00 0.00 C ATOM 354 C GLU A 24 -3.408 4.454 5.294 1.00 0.00 C ATOM 355 O GLU A 24 -3.823 5.076 4.311 1.00 0.00 O ATOM 356 CB GLU A 24 -4.432 6.169 6.941 1.00 0.00 C ATOM 357 CG GLU A 24 -5.863 5.644 6.936 1.00 0.00 C ATOM 358 CD GLU A 24 -6.892 6.714 7.340 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.488 7.782 7.869 1.00 0.00 O ATOM 360 OE2 GLU A 24 -8.099 6.435 7.155 1.00 0.00 O ATOM 0 H GLU A 24 -2.123 6.779 6.653 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.539 4.302 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.233 6.633 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.344 6.951 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.105 5.271 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.937 4.798 7.620 1.00 0.00 H new ATOM 367 N LEU A 25 -2.898 3.216 5.212 1.00 0.00 N ATOM 368 CA LEU A 25 -2.690 2.506 3.955 1.00 0.00 C ATOM 369 C LEU A 25 -4.053 2.178 3.368 1.00 0.00 C ATOM 370 O LEU A 25 -4.689 1.199 3.769 1.00 0.00 O ATOM 371 CB LEU A 25 -1.888 1.203 4.111 1.00 0.00 C ATOM 372 CG LEU A 25 -0.555 1.283 4.864 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.013 -0.131 5.103 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.456 2.067 4.039 1.00 0.00 C ATOM 0 H LEU A 25 -2.617 2.678 6.032 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.106 3.156 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.521 0.477 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.689 0.808 3.115 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.716 1.783 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.935 -0.072 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.730 -0.700 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.142 -0.628 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.402 2.121 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.611 1.567 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.080 3.075 3.864 1.00 0.00 H new ATOM 386 N THR A 26 -4.528 3.024 2.459 1.00 0.00 N ATOM 387 CA THR A 26 -5.830 2.827 1.866 1.00 0.00 C ATOM 388 C THR A 26 -5.674 1.847 0.708 1.00 0.00 C ATOM 389 O THR A 26 -5.150 2.190 -0.353 1.00 0.00 O ATOM 390 CB THR A 26 -6.487 4.159 1.514 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.467 4.991 2.665 1.00 0.00 O ATOM 392 CG2 THR A 26 -7.942 3.906 1.085 1.00 0.00 C ATOM 0 H THR A 26 -4.027 3.847 2.123 1.00 0.00 H new ATOM 0 HA THR A 26 -6.529 2.380 2.573 1.00 0.00 H new ATOM 0 HB THR A 26 -5.950 4.642 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.962 5.808 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.417 4.854 0.832 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.956 3.250 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.486 3.435 1.904 1.00 0.00 H new ATOM 400 N VAL A 27 -6.090 0.603 0.942 1.00 0.00 N ATOM 401 CA VAL A 27 -6.057 -0.463 -0.056 1.00 0.00 C ATOM 402 C VAL A 27 -7.510 -0.900 -0.242 1.00 0.00 C ATOM 403 O VAL A 27 -8.323 -0.805 0.682 1.00 0.00 O ATOM 404 CB VAL A 27 -5.086 -1.602 0.374 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.752 -1.034 0.890 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.705 -2.463 1.490 1.00 0.00 C ATOM 0 H VAL A 27 -6.464 0.304 1.843 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.657 -0.134 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.907 -2.213 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.096 -1.854 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.275 -0.451 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.938 -0.394 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.006 -3.251 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.916 -1.838 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.632 -2.911 1.132 1.00 0.00 H new ATOM 416 N GLU A 28 -7.869 -1.345 -1.439 1.00 0.00 N ATOM 417 CA GLU A 28 -9.262 -1.411 -1.835 1.00 0.00 C ATOM 418 C GLU A 28 -9.531 -2.886 -2.166 1.00 0.00 C ATOM 419 O GLU A 28 -9.393 -3.313 -3.308 1.00 0.00 O ATOM 420 CB GLU A 28 -9.469 -0.342 -2.928 1.00 0.00 C ATOM 421 CG GLU A 28 -10.865 0.288 -2.990 1.00 0.00 C ATOM 422 CD GLU A 28 -11.286 0.741 -4.392 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.946 0.043 -5.377 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.946 1.804 -4.473 1.00 0.00 O ATOM 0 H GLU A 28 -7.211 -1.665 -2.150 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.012 -1.155 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.739 0.453 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.251 -0.793 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.594 -0.433 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.895 1.146 -2.319 1.00 0.00 H new ATOM 431 N SER A 29 -9.795 -3.703 -1.131 1.00 0.00 N ATOM 432 CA SER A 29 -9.877 -5.161 -1.262 1.00 0.00 C ATOM 433 C SER A 29 -10.733 -5.792 -0.169 1.00 0.00 C ATOM 434 O SER A 29 -11.060 -5.144 0.821 1.00 0.00 O ATOM 435 CB SER A 29 -8.482 -5.784 -1.189 1.00 0.00 C ATOM 436 OG SER A 29 -8.526 -7.047 -1.822 1.00 0.00 O ATOM 0 H SER A 29 -9.957 -3.367 -0.182 1.00 0.00 H new ATOM 0 HA SER A 29 -10.338 -5.358 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.752 -5.139 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.168 -5.890 -0.151 1.00 0.00 H new ATOM 0 HG SER A 29 -7.621 -7.419 -1.873 1.00 0.00 H new ATOM 442 N SER A 30 -11.059 -7.078 -0.321 1.00 0.00 N ATOM 443 CA SER A 30 -11.793 -7.838 0.684 1.00 0.00 C ATOM 444 C SER A 30 -10.977 -7.912 1.978 1.00 0.00 C ATOM 445 O SER A 30 -9.746 -7.898 1.949 1.00 0.00 O ATOM 446 CB SER A 30 -12.099 -9.238 0.146 1.00 0.00 C ATOM 447 OG SER A 30 -12.896 -9.135 -1.021 1.00 0.00 O ATOM 0 H SER A 30 -10.818 -7.621 -1.150 1.00 0.00 H new ATOM 0 HA SER A 30 -12.737 -7.339 0.905 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.171 -9.762 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.619 -9.824 0.904 1.00 0.00 H new ATOM 0 HG SER A 30 -13.090 -10.032 -1.365 1.00 0.00 H new ATOM 453 N ALA A 31 -11.663 -8.013 3.123 1.00 0.00 N ATOM 454 CA ALA A 31 -11.022 -7.908 4.429 1.00 0.00 C ATOM 455 C ALA A 31 -9.921 -8.956 4.617 1.00 0.00 C ATOM 456 O ALA A 31 -8.836 -8.617 5.072 1.00 0.00 O ATOM 457 CB ALA A 31 -12.079 -8.007 5.536 1.00 0.00 C ATOM 0 H ALA A 31 -12.670 -8.169 3.165 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.536 -6.934 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.595 -7.928 6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.801 -7.198 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.593 -8.965 5.463 1.00 0.00 H new ATOM 463 N GLU A 32 -10.168 -10.213 4.243 1.00 0.00 N ATOM 464 CA GLU A 32 -9.199 -11.297 4.398 1.00 0.00 C ATOM 465 C GLU A 32 -8.000 -11.158 3.460 1.00 0.00 C ATOM 466 O GLU A 32 -6.889 -11.562 3.807 1.00 0.00 O ATOM 467 CB GLU A 32 -9.899 -12.629 4.129 1.00 0.00 C ATOM 468 CG GLU A 32 -10.259 -13.309 5.457 1.00 0.00 C ATOM 469 CD GLU A 32 -11.124 -14.552 5.246 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.535 -15.636 5.048 1.00 0.00 O ATOM 471 OE2 GLU A 32 -12.364 -14.392 5.298 1.00 0.00 O ATOM 0 H GLU A 32 -11.049 -10.508 3.823 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.816 -11.252 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.801 -12.463 3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.250 -13.279 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.345 -13.588 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.789 -12.602 6.095 1.00 0.00 H new ATOM 478 N ASP A 33 -8.213 -10.586 2.278 1.00 0.00 N ATOM 479 CA ASP A 33 -7.178 -10.313 1.297 1.00 0.00 C ATOM 480 C ASP A 33 -6.265 -9.197 1.835 1.00 0.00 C ATOM 481 O ASP A 33 -5.050 -9.370 1.929 1.00 0.00 O ATOM 482 CB ASP A 33 -7.890 -9.988 -0.021 1.00 0.00 C ATOM 483 CG ASP A 33 -6.934 -9.625 -1.143 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.652 -8.407 -1.245 1.00 0.00 O ATOM 485 OD2 ASP A 33 -6.580 -10.534 -1.922 1.00 0.00 O ATOM 0 H ASP A 33 -9.140 -10.292 1.971 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.518 -11.160 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.488 -10.847 -0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.581 -9.161 0.141 1.00 0.00 H new ATOM 490 N LEU A 34 -6.880 -8.119 2.345 1.00 0.00 N ATOM 491 CA LEU A 34 -6.258 -7.021 3.088 1.00 0.00 C ATOM 492 C LEU A 34 -5.443 -7.533 4.273 1.00 0.00 C ATOM 493 O LEU A 34 -4.357 -7.057 4.571 1.00 0.00 O ATOM 494 CB LEU A 34 -7.354 -6.022 3.525 1.00 0.00 C ATOM 495 CG LEU A 34 -7.065 -5.168 4.788 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.693 -3.786 4.608 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.667 -5.739 6.084 1.00 0.00 C ATOM 0 H LEU A 34 -7.886 -7.986 2.241 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.552 -6.504 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.545 -5.343 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.273 -6.582 3.697 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.980 -5.149 4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.495 -3.179 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.263 -3.302 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.770 -3.890 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.420 -5.084 6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.750 -5.806 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.258 -6.732 6.268 1.00 0.00 H new ATOM 509 N ARG A 35 -6.019 -8.497 4.968 1.00 0.00 N ATOM 510 CA ARG A 35 -5.523 -9.104 6.195 1.00 0.00 C ATOM 511 C ARG A 35 -4.333 -9.965 5.857 1.00 0.00 C ATOM 512 O ARG A 35 -3.326 -9.891 6.543 1.00 0.00 O ATOM 513 CB ARG A 35 -6.583 -9.946 6.920 1.00 0.00 C ATOM 514 CG ARG A 35 -6.086 -10.283 8.334 1.00 0.00 C ATOM 515 CD ARG A 35 -7.147 -10.929 9.226 1.00 0.00 C ATOM 516 NE ARG A 35 -6.599 -11.148 10.576 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.261 -11.613 11.644 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.546 -11.958 11.548 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.630 -11.731 12.813 1.00 0.00 N ATOM 0 H ARG A 35 -6.905 -8.906 4.672 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.247 -8.299 6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.524 -9.398 6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.779 -10.862 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.231 -10.955 8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.731 -9.369 8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.028 -10.289 9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.468 -11.878 8.796 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.614 -10.922 10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.033 -11.869 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.042 -12.311 12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.648 -11.468 12.891 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.130 -12.084 13.629 1.00 0.00 H new ATOM 533 N THR A 36 -4.434 -10.766 4.808 1.00 0.00 N ATOM 534 CA THR A 36 -3.315 -11.541 4.299 1.00 0.00 C ATOM 535 C THR A 36 -2.154 -10.583 3.999 1.00 0.00 C ATOM 536 O THR A 36 -1.055 -10.767 4.522 1.00 0.00 O ATOM 537 CB THR A 36 -3.768 -12.367 3.080 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.893 -13.154 3.421 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.665 -13.308 2.588 1.00 0.00 C ATOM 0 H THR A 36 -5.299 -10.897 4.284 1.00 0.00 H new ATOM 0 HA THR A 36 -2.959 -12.261 5.036 1.00 0.00 H new ATOM 0 HB THR A 36 -4.012 -11.660 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.712 -12.639 3.265 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.025 -13.872 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.791 -12.724 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.393 -13.998 3.386 1.00 0.00 H new ATOM 547 N LEU A 37 -2.429 -9.498 3.264 1.00 0.00 N ATOM 548 CA LEU A 37 -1.504 -8.389 3.038 1.00 0.00 C ATOM 549 C LEU A 37 -0.980 -7.797 4.365 1.00 0.00 C ATOM 550 O LEU A 37 0.213 -7.521 4.485 1.00 0.00 O ATOM 551 CB LEU A 37 -2.182 -7.386 2.075 1.00 0.00 C ATOM 552 CG LEU A 37 -2.068 -5.894 2.407 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.670 -5.304 2.089 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.063 -5.125 1.543 1.00 0.00 C ATOM 0 H LEU A 37 -3.327 -9.367 2.799 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.591 -8.730 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.765 -7.541 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.241 -7.638 2.019 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.258 -5.798 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.655 -4.245 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.088 -5.830 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.458 -5.422 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.994 -4.061 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.833 -5.289 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.074 -5.475 1.753 1.00 0.00 H new ATOM 566 N GLN A 38 -1.822 -7.657 5.395 1.00 0.00 N ATOM 567 CA GLN A 38 -1.410 -7.176 6.704 1.00 0.00 C ATOM 568 C GLN A 38 -0.445 -8.186 7.340 1.00 0.00 C ATOM 569 O GLN A 38 0.489 -7.762 8.010 1.00 0.00 O ATOM 570 CB GLN A 38 -2.653 -6.904 7.567 1.00 0.00 C ATOM 571 CG GLN A 38 -2.441 -6.640 9.065 1.00 0.00 C ATOM 572 CD GLN A 38 -3.732 -6.974 9.809 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.848 -8.023 10.442 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.756 -6.143 9.668 1.00 0.00 N ATOM 0 H GLN A 38 -2.816 -7.878 5.335 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.872 -6.232 6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.172 -6.043 7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.322 -7.759 7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.619 -7.248 9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.169 -5.598 9.230 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.642 -5.278 9.140 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.658 -6.369 10.088 1.00 0.00 H new ATOM 583 N GLN A 39 -0.619 -9.499 7.124 1.00 0.00 N ATOM 584 CA GLN A 39 0.301 -10.516 7.616 1.00 0.00 C ATOM 585 C GLN A 39 1.636 -10.445 6.871 1.00 0.00 C ATOM 586 O GLN A 39 2.668 -10.704 7.482 1.00 0.00 O ATOM 587 CB GLN A 39 -0.261 -11.942 7.547 1.00 0.00 C ATOM 588 CG GLN A 39 -1.674 -12.142 8.109 1.00 0.00 C ATOM 589 CD GLN A 39 -2.012 -11.330 9.361 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.607 -11.655 10.469 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.793 -10.274 9.184 1.00 0.00 N ATOM 0 H GLN A 39 -1.408 -9.879 6.600 1.00 0.00 H new ATOM 0 HA GLN A 39 0.453 -10.291 8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.259 -12.261 6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.418 -12.604 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.394 -11.890 7.330 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.808 -13.199 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.114 -10.029 8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.073 -9.707 9.984 1.00 0.00 H new ATOM 600 N LEU A 40 1.649 -10.050 5.588 1.00 0.00 N ATOM 601 CA LEU A 40 2.897 -9.716 4.894 1.00 0.00 C ATOM 602 C LEU A 40 3.611 -8.582 5.628 1.00 0.00 C ATOM 603 O LEU A 40 4.801 -8.692 5.932 1.00 0.00 O ATOM 604 CB LEU A 40 2.681 -9.344 3.419 1.00 0.00 C ATOM 605 CG LEU A 40 1.802 -10.294 2.587 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.579 -9.728 1.181 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.360 -11.717 2.515 1.00 0.00 C ATOM 0 H LEU A 40 0.811 -9.955 5.014 1.00 0.00 H new ATOM 0 HA LEU A 40 3.518 -10.612 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.237 -8.349 3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.657 -9.276 2.939 1.00 0.00 H new ATOM 0 HG LEU A 40 0.843 -10.363 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.955 -10.414 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.083 -8.760 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.540 -9.607 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.695 -12.338 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.349 -11.697 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.433 -12.130 3.521 1.00 0.00 H new ATOM 619 N PHE A 41 2.882 -7.501 5.936 1.00 0.00 N ATOM 620 CA PHE A 41 3.426 -6.371 6.689 1.00 0.00 C ATOM 621 C PHE A 41 3.914 -6.807 8.076 1.00 0.00 C ATOM 622 O PHE A 41 4.993 -6.415 8.510 1.00 0.00 O ATOM 623 CB PHE A 41 2.405 -5.224 6.764 1.00 0.00 C ATOM 624 CG PHE A 41 2.445 -4.266 5.583 1.00 0.00 C ATOM 625 CD1 PHE A 41 2.190 -4.715 4.273 1.00 0.00 C ATOM 626 CD2 PHE A 41 2.767 -2.913 5.794 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.282 -3.827 3.185 1.00 0.00 C ATOM 628 CE2 PHE A 41 2.838 -2.022 4.711 1.00 0.00 C ATOM 629 CZ PHE A 41 2.608 -2.479 3.403 1.00 0.00 C ATOM 0 H PHE A 41 1.904 -7.389 5.670 1.00 0.00 H new ATOM 0 HA PHE A 41 4.299 -5.993 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.404 -5.650 6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.579 -4.659 7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.922 -5.747 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.961 -2.557 6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.102 -4.183 2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.070 -0.982 4.884 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.682 -1.797 2.569 1.00 0.00 H new ATOM 639 N LEU A 42 3.138 -7.654 8.754 1.00 0.00 N ATOM 640 CA LEU A 42 3.476 -8.251 10.040 1.00 0.00 C ATOM 641 C LEU A 42 4.750 -9.097 9.924 1.00 0.00 C ATOM 642 O LEU A 42 5.568 -9.072 10.841 1.00 0.00 O ATOM 643 CB LEU A 42 2.256 -9.059 10.520 1.00 0.00 C ATOM 644 CG LEU A 42 2.219 -9.422 12.016 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.756 -9.643 12.433 1.00 0.00 C ATOM 646 CD2 LEU A 42 3.003 -10.700 12.337 1.00 0.00 C ATOM 0 H LEU A 42 2.226 -7.951 8.408 1.00 0.00 H new ATOM 0 HA LEU A 42 3.698 -7.485 10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.356 -8.491 10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.210 -9.983 9.943 1.00 0.00 H new ATOM 0 HG LEU A 42 2.681 -8.599 12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.714 -9.901 13.491 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.186 -8.730 12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.329 -10.455 11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.941 -10.906 13.406 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.579 -11.536 11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.047 -10.568 12.053 1.00 0.00 H new ATOM 658 N SER A 43 4.930 -9.824 8.811 1.00 0.00 N ATOM 659 CA SER A 43 6.114 -10.631 8.552 1.00 0.00 C ATOM 660 C SER A 43 7.341 -9.735 8.363 1.00 0.00 C ATOM 661 O SER A 43 8.307 -9.837 9.121 1.00 0.00 O ATOM 662 CB SER A 43 5.854 -11.525 7.326 1.00 0.00 C ATOM 663 OG SER A 43 6.866 -12.497 7.165 1.00 0.00 O ATOM 0 H SER A 43 4.242 -9.863 8.059 1.00 0.00 H new ATOM 0 HA SER A 43 6.322 -11.275 9.407 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.888 -12.019 7.434 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.797 -10.907 6.430 1.00 0.00 H new ATOM 0 HG SER A 43 6.668 -13.048 6.379 1.00 0.00 H new ATOM 669 N THR A 44 7.322 -8.884 7.330 1.00 0.00 N ATOM 670 CA THR A 44 8.473 -8.145 6.843 1.00 0.00 C ATOM 671 C THR A 44 8.130 -6.811 6.173 1.00 0.00 C ATOM 672 O THR A 44 8.968 -5.910 6.158 1.00 0.00 O ATOM 673 CB THR A 44 9.258 -9.001 5.826 1.00 0.00 C ATOM 674 OG1 THR A 44 8.380 -9.487 4.826 1.00 0.00 O ATOM 675 CG2 THR A 44 9.985 -10.195 6.449 1.00 0.00 C ATOM 0 H THR A 44 6.473 -8.691 6.799 1.00 0.00 H new ATOM 0 HA THR A 44 9.065 -7.921 7.730 1.00 0.00 H new ATOM 0 HB THR A 44 10.017 -8.340 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.884 -10.028 4.183 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.513 -10.746 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.701 -9.839 7.190 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.260 -10.851 6.931 1.00 0.00 H new ATOM 683 N LEU A 45 6.953 -6.708 5.551 1.00 0.00 N ATOM 684 CA LEU A 45 6.659 -5.660 4.581 1.00 0.00 C ATOM 685 C LEU A 45 6.385 -4.305 5.234 1.00 0.00 C ATOM 686 O LEU A 45 5.840 -4.226 6.334 1.00 0.00 O ATOM 687 CB LEU A 45 5.465 -6.114 3.718 1.00 0.00 C ATOM 688 CG LEU A 45 5.869 -6.412 2.280 1.00 0.00 C ATOM 689 CD1 LEU A 45 6.816 -7.616 2.206 1.00 0.00 C ATOM 690 CD2 LEU A 45 4.622 -6.608 1.407 1.00 0.00 C ATOM 0 H LEU A 45 6.178 -7.352 5.709 1.00 0.00 H new ATOM 0 HA LEU A 45 7.540 -5.511 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.019 -7.005 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.700 -5.338 3.724 1.00 0.00 H new ATOM 0 HG LEU A 45 6.419 -5.556 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.086 -7.803 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.717 -7.406 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.319 -8.495 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.925 -6.820 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.036 -7.442 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.018 -5.701 1.426 1.00 0.00 H new ATOM 702 N SER A 46 6.679 -3.221 4.513 1.00 0.00 N ATOM 703 CA SER A 46 6.291 -1.883 4.895 1.00 0.00 C ATOM 704 C SER A 46 5.989 -1.028 3.660 1.00 0.00 C ATOM 705 O SER A 46 6.170 -1.438 2.512 1.00 0.00 O ATOM 706 CB SER A 46 7.359 -1.311 5.829 1.00 0.00 C ATOM 707 OG SER A 46 8.671 -1.396 5.320 1.00 0.00 O ATOM 0 H SER A 46 7.201 -3.260 3.637 1.00 0.00 H new ATOM 0 HA SER A 46 5.355 -1.890 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.126 -0.266 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.315 -1.839 6.781 1.00 0.00 H new ATOM 0 HG SER A 46 8.986 -0.501 5.077 1.00 0.00 H new ATOM 713 N PHE A 47 5.475 0.176 3.894 1.00 0.00 N ATOM 714 CA PHE A 47 5.099 1.118 2.861 1.00 0.00 C ATOM 715 C PHE A 47 5.960 2.343 3.077 1.00 0.00 C ATOM 716 O PHE A 47 6.304 2.669 4.216 1.00 0.00 O ATOM 717 CB PHE A 47 3.614 1.471 2.993 1.00 0.00 C ATOM 718 CG PHE A 47 2.956 2.064 1.754 1.00 0.00 C ATOM 719 CD1 PHE A 47 3.077 3.435 1.466 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.174 1.256 0.908 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.470 3.986 0.324 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.555 1.808 -0.229 1.00 0.00 C ATOM 723 CZ PHE A 47 1.707 3.171 -0.527 1.00 0.00 C ATOM 0 H PHE A 47 5.306 0.527 4.837 1.00 0.00 H new ATOM 0 HA PHE A 47 5.248 0.706 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.070 0.569 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.501 2.179 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.643 4.072 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.048 0.207 1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.591 5.036 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.960 1.180 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.240 3.590 -1.406 1.00 0.00 H new ATOM 733 N VAL A 48 6.225 3.053 1.989 1.00 0.00 N ATOM 734 CA VAL A 48 6.841 4.344 2.016 1.00 0.00 C ATOM 735 C VAL A 48 5.890 5.358 1.393 1.00 0.00 C ATOM 736 O VAL A 48 5.589 5.317 0.203 1.00 0.00 O ATOM 737 CB VAL A 48 8.270 4.300 1.472 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.276 3.913 2.555 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.525 3.552 0.217 1.00 0.00 C ATOM 0 H VAL A 48 6.007 2.727 1.048 1.00 0.00 H new ATOM 0 HA VAL A 48 6.998 4.690 3.038 1.00 0.00 H new ATOM 0 HB VAL A 48 8.417 5.335 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.279 3.893 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.240 4.643 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.028 2.926 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.583 3.615 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.246 2.507 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.933 3.983 -0.590 1.00 0.00 H new ATOM 749 N CYS A 49 5.326 6.205 2.260 1.00 0.00 N ATOM 750 CA CYS A 49 4.309 7.195 1.924 1.00 0.00 C ATOM 751 C CYS A 49 4.776 8.062 0.747 1.00 0.00 C ATOM 752 O CYS A 49 5.970 8.355 0.670 1.00 0.00 O ATOM 753 CB CYS A 49 4.026 8.036 3.180 1.00 0.00 C ATOM 754 SG CYS A 49 5.465 8.440 4.227 1.00 0.00 S ATOM 0 H CYS A 49 5.577 6.217 3.249 1.00 0.00 H new ATOM 0 HA CYS A 49 3.387 6.707 1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.558 8.970 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.298 7.503 3.791 1.00 0.00 H new ATOM 0 HG CYS A 49 6.070 7.343 4.576 1.00 0.00 H new ATOM 759 N PRO A 50 3.877 8.548 -0.138 1.00 0.00 N ATOM 760 CA PRO A 50 4.293 9.310 -1.318 1.00 0.00 C ATOM 761 C PRO A 50 5.096 10.570 -0.964 1.00 0.00 C ATOM 762 O PRO A 50 5.984 10.959 -1.724 1.00 0.00 O ATOM 763 CB PRO A 50 3.013 9.620 -2.103 1.00 0.00 C ATOM 764 CG PRO A 50 1.893 9.439 -1.078 1.00 0.00 C ATOM 765 CD PRO A 50 2.433 8.337 -0.168 1.00 0.00 C ATOM 0 HA PRO A 50 4.984 8.727 -1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.027 10.634 -2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.891 8.944 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.699 10.359 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.956 9.148 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.003 8.404 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.186 7.349 -0.555 1.00 0.00 H new ATOM 773 N TRP A 51 4.854 11.154 0.216 1.00 0.00 N ATOM 774 CA TRP A 51 5.711 12.165 0.821 1.00 0.00 C ATOM 775 C TRP A 51 7.160 11.664 0.907 1.00 0.00 C ATOM 776 O TRP A 51 8.055 12.271 0.311 1.00 0.00 O ATOM 777 CB TRP A 51 5.155 12.553 2.205 1.00 0.00 C ATOM 778 CG TRP A 51 6.121 13.242 3.126 1.00 0.00 C ATOM 779 CD1 TRP A 51 7.064 14.134 2.750 1.00 0.00 C ATOM 780 CD2 TRP A 51 6.319 13.041 4.561 1.00 0.00 C ATOM 781 NE1 TRP A 51 7.867 14.447 3.825 1.00 0.00 N ATOM 782 CE2 TRP A 51 7.439 13.823 4.977 1.00 0.00 C ATOM 783 CE3 TRP A 51 5.681 12.258 5.549 1.00 0.00 C ATOM 784 CZ2 TRP A 51 7.901 13.826 6.302 1.00 0.00 C ATOM 785 CZ3 TRP A 51 6.131 12.261 6.883 1.00 0.00 C ATOM 786 CH2 TRP A 51 7.237 13.043 7.261 1.00 0.00 C ATOM 0 H TRP A 51 4.038 10.928 0.784 1.00 0.00 H new ATOM 0 HA TRP A 51 5.717 13.057 0.195 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.293 13.204 2.060 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.794 11.650 2.697 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.172 14.541 1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.678 15.064 3.775 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.834 11.647 5.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.757 14.423 6.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 5.623 11.658 7.621 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.575 13.042 8.287 1.00 0.00 H new ATOM 797 N CYS A 52 7.405 10.572 1.643 1.00 0.00 N ATOM 798 CA CYS A 52 8.757 10.084 1.860 1.00 0.00 C ATOM 799 C CYS A 52 9.365 9.541 0.582 1.00 0.00 C ATOM 800 O CYS A 52 10.575 9.642 0.412 1.00 0.00 O ATOM 801 CB CYS A 52 8.795 9.024 2.954 1.00 0.00 C ATOM 802 SG CYS A 52 8.659 7.308 2.588 1.00 0.00 S ATOM 0 H CYS A 52 6.679 10.016 2.095 1.00 0.00 H new ATOM 0 HA CYS A 52 9.355 10.936 2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.734 9.158 3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.992 9.262 3.652 1.00 0.00 H new ATOM 0 HG CYS A 52 7.829 6.752 3.419 1.00 0.00 H new ATOM 807 N ALA A 53 8.536 8.994 -0.310 1.00 0.00 N ATOM 808 CA ALA A 53 8.986 8.508 -1.595 1.00 0.00 C ATOM 809 C ALA A 53 9.468 9.667 -2.479 1.00 0.00 C ATOM 810 O ALA A 53 10.408 9.491 -3.250 1.00 0.00 O ATOM 811 CB ALA A 53 7.850 7.736 -2.271 1.00 0.00 C ATOM 0 H ALA A 53 7.535 8.880 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 53 9.832 7.837 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.186 7.368 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.559 6.893 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.994 8.396 -2.411 1.00 0.00 H new ATOM 817 N THR A 54 8.839 10.843 -2.355 1.00 0.00 N ATOM 818 CA THR A 54 9.225 12.056 -3.070 1.00 0.00 C ATOM 819 C THR A 54 10.464 12.697 -2.428 1.00 0.00 C ATOM 820 O THR A 54 11.357 13.139 -3.145 1.00 0.00 O ATOM 821 CB THR A 54 8.039 13.042 -3.104 1.00 0.00 C ATOM 822 OG1 THR A 54 6.880 12.408 -3.604 1.00 0.00 O ATOM 823 CG2 THR A 54 8.312 14.255 -4.000 1.00 0.00 C ATOM 0 H THR A 54 8.034 10.975 -1.743 1.00 0.00 H new ATOM 0 HA THR A 54 9.487 11.795 -4.095 1.00 0.00 H new ATOM 0 HB THR A 54 7.897 13.375 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.384 12.002 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.447 14.918 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.185 14.792 -3.629 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.499 13.919 -5.020 1.00 0.00 H new ATOM 831 N ASN A 55 10.520 12.780 -1.089 1.00 0.00 N ATOM 832 CA ASN A 55 11.665 13.365 -0.370 1.00 0.00 C ATOM 833 C ASN A 55 12.915 12.492 -0.508 1.00 0.00 C ATOM 834 O ASN A 55 14.013 13.014 -0.666 1.00 0.00 O ATOM 835 CB ASN A 55 11.332 13.546 1.127 1.00 0.00 C ATOM 836 CG ASN A 55 10.373 14.693 1.440 1.00 0.00 C ATOM 837 OD1 ASN A 55 10.270 15.137 2.579 1.00 0.00 O ATOM 838 ND2 ASN A 55 9.634 15.184 0.456 1.00 0.00 N ATOM 0 H ASN A 55 9.777 12.445 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 55 11.867 14.338 -0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.900 12.618 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.261 13.709 1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.972 15.938 0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.727 14.808 -0.488 1.00 0.00 H new ATOM 940 N PRO B 7 16.885 -5.106 -1.683 1.00 0.00 N ATOM 941 CA PRO B 7 15.734 -5.511 -2.491 1.00 0.00 C ATOM 942 C PRO B 7 14.447 -5.480 -1.650 1.00 0.00 C ATOM 943 O PRO B 7 13.794 -6.502 -1.426 1.00 0.00 O ATOM 944 CB PRO B 7 16.096 -6.903 -3.028 1.00 0.00 C ATOM 945 CG PRO B 7 16.948 -7.485 -1.904 1.00 0.00 C ATOM 946 CD PRO B 7 17.730 -6.267 -1.415 1.00 0.00 C ATOM 0 HA PRO B 7 15.529 -4.835 -3.321 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.209 -7.507 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO B 7 16.648 -6.844 -3.966 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.335 -7.918 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO B 7 17.609 -8.274 -2.263 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.953 -6.349 -0.351 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.684 -6.182 -1.935 1.00 0.00 H new ATOM 954 N GLN B 8 14.090 -4.280 -1.191 1.00 0.00 N ATOM 955 CA GLN B 8 12.982 -4.010 -0.300 1.00 0.00 C ATOM 956 C GLN B 8 12.155 -2.870 -0.896 1.00 0.00 C ATOM 957 O GLN B 8 11.099 -3.133 -1.457 1.00 0.00 O ATOM 958 CB GLN B 8 13.524 -3.756 1.126 1.00 0.00 C ATOM 959 CG GLN B 8 12.537 -4.187 2.218 1.00 0.00 C ATOM 960 CD GLN B 8 12.369 -5.704 2.244 1.00 0.00 C ATOM 961 OE1 GLN B 8 13.270 -6.440 2.621 1.00 0.00 O ATOM 962 NE2 GLN B 8 11.224 -6.196 1.797 1.00 0.00 N ATOM 0 H GLN B 8 14.597 -3.433 -1.449 1.00 0.00 H new ATOM 0 HA GLN B 8 12.306 -4.860 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN B 8 14.462 -4.296 1.256 1.00 0.00 H new ATOM 0 HB3 GLN B 8 13.748 -2.696 1.242 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.891 -3.841 3.189 1.00 0.00 H new ATOM 0 HG3 GLN B 8 11.570 -3.714 2.045 1.00 0.00 H new ATOM 0 HE21 GLN B 8 10.484 -5.566 1.487 1.00 0.00 H new ATOM 0 HE22 GLN B 8 11.081 -7.205 1.763 1.00 0.00 H new ATOM 971 N ARG B 9 12.615 -1.617 -0.791 1.00 0.00 N ATOM 972 CA ARG B 9 11.970 -0.401 -1.285 1.00 0.00 C ATOM 973 C ARG B 9 11.660 -0.499 -2.788 1.00 0.00 C ATOM 974 O ARG B 9 12.506 -0.152 -3.612 1.00 0.00 O ATOM 975 CB ARG B 9 12.881 0.785 -0.915 1.00 0.00 C ATOM 976 CG ARG B 9 12.203 2.147 -1.059 1.00 0.00 C ATOM 977 CD ARG B 9 12.663 2.939 -2.289 1.00 0.00 C ATOM 978 NE ARG B 9 14.074 3.353 -2.183 1.00 0.00 N ATOM 979 CZ ARG B 9 14.651 4.393 -2.801 1.00 0.00 C ATOM 980 NH1 ARG B 9 13.973 5.166 -3.645 1.00 0.00 N ATOM 981 NH2 ARG B 9 15.926 4.693 -2.571 1.00 0.00 N ATOM 0 H ARG B 9 13.502 -1.416 -0.330 1.00 0.00 H new ATOM 0 HA ARG B 9 10.997 -0.254 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.220 0.664 0.114 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.768 0.762 -1.548 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.124 2.002 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.400 2.737 -0.164 1.00 0.00 H new ATOM 0 HD2 ARG B 9 12.530 2.330 -3.183 1.00 0.00 H new ATOM 0 HD3 ARG B 9 12.034 3.821 -2.408 1.00 0.00 H new ATOM 0 HE ARG B 9 14.672 2.791 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG B 9 12.990 4.973 -3.835 1.00 0.00 H new ATOM 0 HH12 ARG B 9 14.437 5.951 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG B 9 16.473 4.130 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG B 9 16.357 5.486 -3.046 1.00 0.00 H new ATOM 995 N HIS B 10 10.455 -0.951 -3.153 1.00 0.00 N ATOM 996 CA HIS B 10 10.053 -1.204 -4.532 1.00 0.00 C ATOM 997 C HIS B 10 8.847 -0.340 -4.901 1.00 0.00 C ATOM 998 O HIS B 10 8.251 0.324 -4.053 1.00 0.00 O ATOM 999 CB HIS B 10 9.785 -2.704 -4.731 1.00 0.00 C ATOM 1000 CG HIS B 10 10.992 -3.596 -4.551 1.00 0.00 C ATOM 1001 ND1 HIS B 10 10.971 -4.879 -4.067 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.305 -3.271 -4.759 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.235 -5.314 -3.981 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.090 -4.373 -4.410 1.00 0.00 N ATOM 0 H HIS B 10 9.718 -1.154 -2.478 1.00 0.00 H new ATOM 0 HA HIS B 10 10.862 -0.925 -5.208 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.013 -3.016 -4.028 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.385 -2.857 -5.733 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.137 -5.410 -3.816 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.672 -2.325 -5.129 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.526 -6.288 -3.617 1.00 0.00 H new ATOM 1012 N LYS B 11 8.531 -0.302 -6.200 1.00 0.00 N ATOM 1013 CA LYS B 11 7.667 0.702 -6.808 1.00 0.00 C ATOM 1014 C LYS B 11 6.710 0.004 -7.772 1.00 0.00 C ATOM 1015 O LYS B 11 7.027 -0.145 -8.952 1.00 0.00 O ATOM 1016 CB LYS B 11 8.536 1.765 -7.507 1.00 0.00 C ATOM 1017 CG LYS B 11 9.382 2.621 -6.539 1.00 0.00 C ATOM 1018 CD LYS B 11 10.895 2.523 -6.791 1.00 0.00 C ATOM 1019 CE LYS B 11 11.343 3.101 -8.144 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.231 4.574 -8.204 1.00 0.00 N ATOM 0 H LYS B 11 8.880 -0.988 -6.870 1.00 0.00 H new ATOM 0 HA LYS B 11 7.069 1.216 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.202 1.268 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.890 2.423 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS B 11 9.075 3.663 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.172 2.311 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.421 3.046 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.195 1.476 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.377 2.812 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS B 11 10.739 2.663 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 11.913 4.946 -8.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.267 4.837 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.434 4.976 -7.267 1.00 0.00 H new ATOM 1034 N ILE B 12 5.562 -0.467 -7.273 1.00 0.00 N ATOM 1035 CA ILE B 12 4.551 -1.095 -8.120 1.00 0.00 C ATOM 1036 C ILE B 12 3.731 0.036 -8.740 1.00 0.00 C ATOM 1037 O ILE B 12 2.868 0.617 -8.095 1.00 0.00 O ATOM 1038 CB ILE B 12 3.651 -2.103 -7.366 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.437 -3.102 -6.497 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.790 -2.844 -8.408 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.516 -3.963 -5.621 1.00 0.00 C ATOM 0 H ILE B 12 5.313 -0.423 -6.285 1.00 0.00 H new ATOM 0 HA ILE B 12 5.044 -1.695 -8.885 1.00 0.00 H new ATOM 0 HB ILE B 12 3.028 -1.545 -6.667 1.00 0.00 H new ATOM 0 HG12 ILE B 12 5.032 -3.750 -7.140 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.134 -2.557 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.145 -3.562 -7.902 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.177 -2.125 -8.951 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.439 -3.370 -9.109 1.00 0.00 H new ATOM 0 HD11 ILE B 12 4.118 -4.651 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.939 -3.319 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.836 -4.531 -6.256 1.00 0.00 H new ATOM 1053 N LEU B 13 4.012 0.392 -9.985 1.00 0.00 N ATOM 1054 CA LEU B 13 3.216 1.343 -10.728 1.00 0.00 C ATOM 1055 C LEU B 13 1.858 0.721 -11.030 1.00 0.00 C ATOM 1056 O LEU B 13 1.761 -0.203 -11.837 1.00 0.00 O ATOM 1057 CB LEU B 13 3.950 1.817 -11.984 1.00 0.00 C ATOM 1058 CG LEU B 13 3.241 3.039 -12.608 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.301 3.948 -13.227 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.205 2.671 -13.679 1.00 0.00 C ATOM 0 H LEU B 13 4.807 0.023 -10.507 1.00 0.00 H new ATOM 0 HA LEU B 13 3.051 2.239 -10.129 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.978 2.077 -11.733 1.00 0.00 H new ATOM 0 HB3 LEU B 13 3.995 1.007 -12.712 1.00 0.00 H new ATOM 0 HG LEU B 13 2.694 3.538 -11.808 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.819 4.818 -13.673 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.996 4.275 -12.454 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.846 3.400 -13.996 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.749 3.580 -14.071 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.695 2.132 -14.490 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.434 2.039 -13.238 1.00 0.00 H new ATOM 1072 N CYS B 14 0.824 1.252 -10.386 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.570 0.959 -10.668 1.00 0.00 C ATOM 1074 C CYS B 14 -1.287 2.258 -11.056 1.00 0.00 C ATOM 1075 O CYS B 14 -0.658 3.310 -11.206 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.184 0.284 -9.433 1.00 0.00 C ATOM 1077 SG CYS B 14 -0.493 -1.385 -9.264 1.00 0.00 S ATOM 0 H CYS B 14 0.942 1.922 -9.626 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.674 0.272 -11.508 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.972 0.871 -8.539 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -2.268 0.234 -9.532 1.00 0.00 H new ATOM 0 HG CYS B 14 -1.306 -2.123 -8.568 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.612 2.197 -11.202 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.457 3.381 -11.238 1.00 0.00 C ATOM 1085 C VAL B 15 -4.372 3.359 -10.017 1.00 0.00 C ATOM 1086 O VAL B 15 -4.694 2.292 -9.489 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.238 3.505 -12.564 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.283 3.813 -13.726 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -5.078 2.262 -12.894 1.00 0.00 C ATOM 0 H VAL B 15 -3.125 1.321 -11.298 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.831 4.273 -11.197 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.935 4.332 -12.429 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.852 3.897 -14.652 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.765 4.752 -13.532 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.553 3.009 -13.820 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.601 2.416 -13.838 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.425 1.393 -12.978 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.805 2.093 -12.100 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.789 4.546 -9.576 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.815 4.702 -8.567 1.00 0.00 C ATOM 1101 C CYS B 16 -7.140 4.223 -9.145 1.00 0.00 C ATOM 1102 O CYS B 16 -7.541 4.696 -10.207 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.937 6.172 -8.162 1.00 0.00 C ATOM 1104 SG CYS B 16 -7.082 6.222 -6.763 1.00 0.00 S ATOM 0 H CYS B 16 -4.414 5.431 -9.919 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.553 4.117 -7.685 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -4.965 6.580 -7.884 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.310 6.774 -8.991 1.00 0.00 H new ATOM 0 HG CYS B 16 -6.575 6.951 -5.813 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.852 3.364 -8.412 1.00 0.00 N ATOM 1110 CA CYS B 17 -9.116 2.772 -8.847 1.00 0.00 C ATOM 1111 C CYS B 17 -10.150 3.813 -9.303 1.00 0.00 C ATOM 1112 O CYS B 17 -10.947 3.541 -10.197 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.677 1.946 -7.686 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.967 0.822 -8.281 1.00 0.00 S ATOM 0 H CYS B 17 -7.560 3.056 -7.484 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.915 2.149 -9.718 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.876 1.375 -7.216 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -10.086 2.609 -6.923 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.364 0.061 -7.304 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.148 5.002 -8.685 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.186 6.013 -8.855 1.00 0.00 C ATOM 1122 C LYS B 18 -10.689 7.335 -9.435 1.00 0.00 C ATOM 1123 O LYS B 18 -11.503 8.090 -9.959 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.919 6.201 -7.525 1.00 0.00 C ATOM 1125 CG LYS B 18 -11.010 6.481 -6.308 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.826 6.590 -5.010 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.000 5.259 -4.259 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.760 4.238 -5.012 1.00 0.00 N ATOM 0 H LYS B 18 -9.409 5.288 -8.043 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.881 5.645 -9.610 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.623 7.026 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.506 5.305 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.274 5.683 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.457 7.406 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.340 7.307 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.811 6.992 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.015 4.859 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.507 5.451 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.821 3.365 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.718 4.592 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.276 4.038 -5.910 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.382 7.608 -9.387 1.00 0.00 N ATOM 1143 CA CYS B 19 -8.789 8.717 -10.118 1.00 0.00 C ATOM 1144 C CYS B 19 -8.337 8.292 -11.517 1.00 0.00 C ATOM 1145 O CYS B 19 -8.092 9.165 -12.345 1.00 0.00 O ATOM 1146 CB CYS B 19 -7.613 9.310 -9.365 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.721 9.437 -7.562 1.00 0.00 S ATOM 0 H CYS B 19 -8.713 7.065 -8.841 1.00 0.00 H new ATOM 0 HA CYS B 19 -9.564 9.477 -10.217 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.732 8.715 -9.604 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.438 10.311 -9.758 1.00 0.00 H new ATOM 0 HG CYS B 19 -7.378 8.303 -7.026 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.164 6.979 -11.751 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.478 6.394 -12.906 1.00 0.00 C ATOM 1154 C ASP B 20 -6.142 7.105 -13.188 1.00 0.00 C ATOM 1155 O ASP B 20 -5.743 7.342 -14.326 1.00 0.00 O ATOM 1156 CB ASP B 20 -8.440 6.309 -14.094 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.864 5.490 -15.257 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.171 4.485 -14.969 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -8.178 5.837 -16.418 1.00 0.00 O ATOM 0 H ASP B 20 -8.516 6.269 -11.109 1.00 0.00 H new ATOM 0 HA ASP B 20 -7.186 5.367 -12.688 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.378 5.860 -13.767 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -8.673 7.315 -14.442 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.452 7.479 -12.103 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.211 8.234 -12.134 1.00 0.00 C ATOM 1166 C GLY B 21 -3.070 7.367 -11.635 1.00 0.00 C ATOM 1167 O GLY B 21 -3.258 6.531 -10.755 1.00 0.00 O ATOM 0 H GLY B 21 -5.758 7.254 -11.156 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.006 8.572 -13.150 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.301 9.125 -11.513 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.886 7.599 -12.196 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.658 6.838 -12.013 1.00 0.00 C ATOM 1173 C ARG B 22 -0.240 6.881 -10.548 1.00 0.00 C ATOM 1174 O ARG B 22 0.179 7.941 -10.081 1.00 0.00 O ATOM 1175 CB ARG B 22 0.387 7.462 -12.956 1.00 0.00 C ATOM 1176 CG ARG B 22 1.790 6.837 -12.951 1.00 0.00 C ATOM 1177 CD ARG B 22 2.774 7.567 -12.024 1.00 0.00 C ATOM 1178 NE ARG B 22 4.164 7.209 -12.349 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.227 7.361 -11.550 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.170 8.063 -10.422 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.380 6.769 -11.841 1.00 0.00 N ATOM 0 H ARG B 22 -1.753 8.381 -12.837 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.779 5.783 -12.259 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.002 7.413 -13.973 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.485 8.518 -12.702 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.715 5.794 -12.642 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.186 6.841 -13.966 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.640 8.644 -12.120 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.561 7.310 -10.986 1.00 0.00 H new ATOM 0 HE ARG B 22 4.333 6.807 -13.271 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.296 8.507 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.001 8.158 -9.838 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.460 6.193 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.185 6.890 -11.226 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.312 5.746 -9.842 1.00 0.00 N ATOM 1196 CA ILE B 23 0.268 5.623 -8.515 1.00 0.00 C ATOM 1197 C ILE B 23 1.504 4.734 -8.627 1.00 0.00 C ATOM 1198 O ILE B 23 1.398 3.547 -8.924 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.688 5.050 -7.440 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -2.084 5.701 -7.356 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.048 5.238 -6.097 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -3.040 4.904 -6.446 1.00 0.00 C ATOM 0 H ILE B 23 -0.771 4.899 -10.177 1.00 0.00 H new ATOM 0 HA ILE B 23 0.508 6.631 -8.176 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.903 4.014 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.987 6.718 -6.977 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.511 5.773 -8.356 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.571 4.854 -5.286 1.00 0.00 H new ATOM 0 HG22 ILE B 23 0.993 4.695 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.242 6.298 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -4.011 5.399 -6.416 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -3.159 3.894 -6.839 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.627 4.855 -5.439 1.00 0.00 H new ATOM 1214 N GLU B 24 2.675 5.290 -8.332 1.00 0.00 N ATOM 1215 CA GLU B 24 3.888 4.526 -8.085 1.00 0.00 C ATOM 1216 C GLU B 24 3.840 3.999 -6.645 1.00 0.00 C ATOM 1217 O GLU B 24 4.275 4.679 -5.711 1.00 0.00 O ATOM 1218 CB GLU B 24 5.062 5.454 -8.397 1.00 0.00 C ATOM 1219 CG GLU B 24 6.450 4.823 -8.272 1.00 0.00 C ATOM 1220 CD GLU B 24 7.580 5.762 -8.728 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.298 6.816 -9.353 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.750 5.383 -8.510 1.00 0.00 O ATOM 0 H GLU B 24 2.807 6.299 -8.257 1.00 0.00 H new ATOM 0 HA GLU B 24 3.997 3.644 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.944 5.832 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.011 6.314 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.620 4.536 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.483 3.909 -8.865 1.00 0.00 H new ATOM 1229 N LEU B 25 3.245 2.812 -6.450 1.00 0.00 N ATOM 1230 CA LEU B 25 3.021 2.236 -5.127 1.00 0.00 C ATOM 1231 C LEU B 25 4.377 1.921 -4.508 1.00 0.00 C ATOM 1232 O LEU B 25 5.007 0.917 -4.847 1.00 0.00 O ATOM 1233 CB LEU B 25 2.153 0.966 -5.140 1.00 0.00 C ATOM 1234 CG LEU B 25 0.791 1.080 -5.840 1.00 0.00 C ATOM 1235 CD1 LEU B 25 0.150 -0.305 -5.969 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.150 1.952 -5.005 1.00 0.00 C ATOM 0 H LEU B 25 2.906 2.227 -7.213 1.00 0.00 H new ATOM 0 HA LEU B 25 2.469 2.971 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.720 0.169 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.983 0.657 -4.109 1.00 0.00 H new ATOM 0 HG LEU B 25 0.948 1.519 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.816 -0.214 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.801 -0.954 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU B 25 0.008 -0.734 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.115 2.030 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.287 1.502 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.281 2.947 -4.891 1.00 0.00 H new ATOM 1248 N THR B 26 4.844 2.810 -3.637 1.00 0.00 N ATOM 1249 CA THR B 26 6.166 2.736 -3.052 1.00 0.00 C ATOM 1250 C THR B 26 6.052 1.837 -1.807 1.00 0.00 C ATOM 1251 O THR B 26 5.741 2.294 -0.708 1.00 0.00 O ATOM 1252 CB THR B 26 6.751 4.155 -2.915 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.344 5.045 -3.952 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.283 4.101 -3.032 1.00 0.00 C ATOM 0 H THR B 26 4.301 3.612 -3.317 1.00 0.00 H new ATOM 0 HA THR B 26 6.924 2.252 -3.667 1.00 0.00 H new ATOM 0 HB THR B 26 6.393 4.514 -1.950 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.676 4.604 -4.518 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.691 5.107 -2.934 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.686 3.468 -2.242 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.559 3.690 -4.003 1.00 0.00 H new ATOM 1262 N VAL B 27 6.215 0.522 -2.015 1.00 0.00 N ATOM 1263 CA VAL B 27 6.010 -0.541 -1.024 1.00 0.00 C ATOM 1264 C VAL B 27 7.381 -1.202 -0.821 1.00 0.00 C ATOM 1265 O VAL B 27 7.986 -1.752 -1.747 1.00 0.00 O ATOM 1266 CB VAL B 27 4.816 -1.489 -1.400 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.579 -0.643 -1.721 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.090 -2.322 -2.667 1.00 0.00 C ATOM 0 H VAL B 27 6.507 0.155 -2.921 1.00 0.00 H new ATOM 0 HA VAL B 27 5.675 -0.159 -0.060 1.00 0.00 H new ATOM 0 HB VAL B 27 4.675 -2.152 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.748 -1.298 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.310 -0.046 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.798 0.018 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.230 -2.958 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.263 -1.654 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.971 -2.944 -2.510 1.00 0.00 H new ATOM 1278 N GLU B 28 7.942 -1.040 0.375 1.00 0.00 N ATOM 1279 CA GLU B 28 9.136 -1.762 0.808 1.00 0.00 C ATOM 1280 C GLU B 28 8.756 -3.227 1.002 1.00 0.00 C ATOM 1281 O GLU B 28 8.101 -3.603 1.977 1.00 0.00 O ATOM 1282 CB GLU B 28 9.720 -1.187 2.096 1.00 0.00 C ATOM 1283 CG GLU B 28 10.007 0.316 2.071 1.00 0.00 C ATOM 1284 CD GLU B 28 10.225 0.840 3.489 1.00 0.00 C ATOM 1285 OE1 GLU B 28 9.288 0.656 4.307 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.290 1.444 3.741 1.00 0.00 O ATOM 0 H GLU B 28 7.577 -0.397 1.078 1.00 0.00 H new ATOM 0 HA GLU B 28 9.909 -1.661 0.046 1.00 0.00 H new ATOM 0 HB2 GLU B 28 9.029 -1.395 2.913 1.00 0.00 H new ATOM 0 HB3 GLU B 28 10.647 -1.713 2.322 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.890 0.514 1.464 1.00 0.00 H new ATOM 0 HG3 GLU B 28 9.175 0.844 1.605 1.00 0.00 H new ATOM 1293 N SER B 29 9.026 -4.061 0.000 1.00 0.00 N ATOM 1294 CA SER B 29 8.358 -5.322 -0.148 1.00 0.00 C ATOM 1295 C SER B 29 9.168 -6.246 -1.041 1.00 0.00 C ATOM 1296 O SER B 29 9.398 -5.957 -2.212 1.00 0.00 O ATOM 1297 CB SER B 29 7.029 -5.032 -0.802 1.00 0.00 C ATOM 1298 OG SER B 29 6.216 -4.149 -0.051 1.00 0.00 O ATOM 0 H SER B 29 9.717 -3.868 -0.725 1.00 0.00 H new ATOM 0 HA SER B 29 8.233 -5.809 0.819 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.203 -4.603 -1.789 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.493 -5.969 -0.952 1.00 0.00 H new ATOM 0 HG SER B 29 5.283 -4.242 -0.336 1.00 0.00 H new ATOM 1304 N SER B 30 9.599 -7.356 -0.462 1.00 0.00 N ATOM 1305 CA SER B 30 10.555 -8.291 -1.054 1.00 0.00 C ATOM 1306 C SER B 30 9.941 -8.850 -2.325 1.00 0.00 C ATOM 1307 O SER B 30 8.755 -9.151 -2.301 1.00 0.00 O ATOM 1308 CB SER B 30 10.833 -9.451 -0.094 1.00 0.00 C ATOM 1309 OG SER B 30 11.131 -8.968 1.207 1.00 0.00 O ATOM 0 H SER B 30 9.285 -7.644 0.465 1.00 0.00 H new ATOM 0 HA SER B 30 11.491 -7.772 -1.262 1.00 0.00 H new ATOM 0 HB2 SER B 30 9.966 -10.110 -0.052 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.668 -10.045 -0.466 1.00 0.00 H new ATOM 0 HG SER B 30 11.304 -9.725 1.805 1.00 0.00 H new ATOM 1315 N ALA B 31 10.709 -9.026 -3.406 1.00 0.00 N ATOM 1316 CA ALA B 31 10.144 -9.250 -4.738 1.00 0.00 C ATOM 1317 C ALA B 31 9.041 -10.311 -4.776 1.00 0.00 C ATOM 1318 O ALA B 31 8.009 -10.096 -5.408 1.00 0.00 O ATOM 1319 CB ALA B 31 11.255 -9.640 -5.717 1.00 0.00 C ATOM 0 H ALA B 31 11.729 -9.017 -3.382 1.00 0.00 H new ATOM 0 HA ALA B 31 9.680 -8.308 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA B 31 10.827 -9.805 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA B 31 11.992 -8.838 -5.770 1.00 0.00 H new ATOM 0 HB3 ALA B 31 11.738 -10.555 -5.373 1.00 0.00 H new ATOM 1325 N GLU B 32 9.241 -11.442 -4.098 1.00 0.00 N ATOM 1326 CA GLU B 32 8.328 -12.570 -4.190 1.00 0.00 C ATOM 1327 C GLU B 32 7.096 -12.383 -3.294 1.00 0.00 C ATOM 1328 O GLU B 32 5.995 -12.857 -3.588 1.00 0.00 O ATOM 1329 CB GLU B 32 9.095 -13.848 -3.839 1.00 0.00 C ATOM 1330 CG GLU B 32 8.636 -14.982 -4.757 1.00 0.00 C ATOM 1331 CD GLU B 32 9.362 -16.293 -4.450 1.00 0.00 C ATOM 1332 OE1 GLU B 32 9.023 -16.912 -3.418 1.00 0.00 O ATOM 1333 OE2 GLU B 32 10.246 -16.654 -5.258 1.00 0.00 O ATOM 0 H GLU B 32 10.035 -11.596 -3.476 1.00 0.00 H new ATOM 0 HA GLU B 32 7.949 -12.643 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.167 -13.685 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.921 -14.115 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU B 32 7.561 -15.127 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU B 32 8.814 -14.703 -5.796 1.00 0.00 H new ATOM 1340 N ASP B 33 7.273 -11.633 -2.210 1.00 0.00 N ATOM 1341 CA ASP B 33 6.221 -11.202 -1.320 1.00 0.00 C ATOM 1342 C ASP B 33 5.396 -10.111 -2.015 1.00 0.00 C ATOM 1343 O ASP B 33 4.173 -10.196 -2.068 1.00 0.00 O ATOM 1344 CB ASP B 33 6.865 -10.742 -0.009 1.00 0.00 C ATOM 1345 CG ASP B 33 5.820 -10.585 1.084 1.00 0.00 C ATOM 1346 OD1 ASP B 33 4.934 -9.732 0.885 1.00 0.00 O ATOM 1347 OD2 ASP B 33 5.931 -11.301 2.102 1.00 0.00 O ATOM 0 H ASP B 33 8.194 -11.300 -1.924 1.00 0.00 H new ATOM 0 HA ASP B 33 5.529 -12.009 -1.079 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.618 -11.465 0.304 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.379 -9.794 -0.165 1.00 0.00 H new ATOM 1352 N LEU B 34 6.065 -9.165 -2.692 1.00 0.00 N ATOM 1353 CA LEU B 34 5.465 -8.141 -3.548 1.00 0.00 C ATOM 1354 C LEU B 34 4.637 -8.774 -4.660 1.00 0.00 C ATOM 1355 O LEU B 34 3.573 -8.294 -5.025 1.00 0.00 O ATOM 1356 CB LEU B 34 6.576 -7.221 -4.099 1.00 0.00 C ATOM 1357 CG LEU B 34 6.281 -6.470 -5.424 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.053 -5.144 -5.406 1.00 0.00 C ATOM 1359 CD2 LEU B 34 6.761 -7.227 -6.675 1.00 0.00 C ATOM 0 H LEU B 34 7.082 -9.093 -2.653 1.00 0.00 H new ATOM 0 HA LEU B 34 4.778 -7.532 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.811 -6.480 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.473 -7.824 -4.244 1.00 0.00 H new ATOM 0 HG LEU B 34 5.199 -6.350 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.860 -4.598 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.727 -4.545 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.121 -5.346 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.523 -6.646 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.839 -7.378 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.261 -8.194 -6.729 1.00 0.00 H new ATOM 1371 N ARG B 35 5.153 -9.867 -5.196 1.00 0.00 N ATOM 1372 CA ARG B 35 4.543 -10.692 -6.228 1.00 0.00 C ATOM 1373 C ARG B 35 3.326 -11.377 -5.646 1.00 0.00 C ATOM 1374 O ARG B 35 2.278 -11.376 -6.275 1.00 0.00 O ATOM 1375 CB ARG B 35 5.512 -11.733 -6.803 1.00 0.00 C ATOM 1376 CG ARG B 35 4.928 -12.322 -8.096 1.00 0.00 C ATOM 1377 CD ARG B 35 5.898 -13.256 -8.820 1.00 0.00 C ATOM 1378 NE ARG B 35 5.286 -13.761 -10.062 1.00 0.00 N ATOM 1379 CZ ARG B 35 5.852 -14.588 -10.951 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.090 -15.048 -10.756 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.174 -14.954 -12.039 1.00 0.00 N ATOM 0 H ARG B 35 6.063 -10.224 -4.906 1.00 0.00 H new ATOM 0 HA ARG B 35 4.259 -10.042 -7.056 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.479 -11.272 -7.006 1.00 0.00 H new ATOM 0 HB3 ARG B 35 5.683 -12.526 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.015 -12.868 -7.860 1.00 0.00 H new ATOM 0 HG3 ARG B 35 4.648 -11.508 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG B 35 6.822 -12.725 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.163 -14.091 -8.171 1.00 0.00 H new ATOM 0 HE ARG B 35 4.336 -13.450 -10.265 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.612 -14.770 -9.925 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.514 -15.677 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG B 35 4.228 -14.604 -12.192 1.00 0.00 H new ATOM 0 HH22 ARG B 35 5.601 -15.583 -12.718 1.00 0.00 H new ATOM 1395 N THR B 36 3.446 -11.947 -4.456 1.00 0.00 N ATOM 1396 CA THR B 36 2.313 -12.516 -3.736 1.00 0.00 C ATOM 1397 C THR B 36 1.229 -11.437 -3.549 1.00 0.00 C ATOM 1398 O THR B 36 0.075 -11.653 -3.919 1.00 0.00 O ATOM 1399 CB THR B 36 2.803 -13.160 -2.426 1.00 0.00 C ATOM 1400 OG1 THR B 36 3.844 -14.084 -2.703 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.673 -13.920 -1.724 1.00 0.00 C ATOM 0 H THR B 36 4.334 -12.029 -3.960 1.00 0.00 H new ATOM 0 HA THR B 36 1.845 -13.318 -4.307 1.00 0.00 H new ATOM 0 HB THR B 36 3.158 -12.358 -1.779 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.701 -13.611 -2.735 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.050 -14.363 -0.802 1.00 0.00 H new ATOM 0 HG22 THR B 36 0.862 -13.231 -1.489 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.302 -14.707 -2.380 1.00 0.00 H new ATOM 1409 N LEU B 37 1.610 -10.238 -3.093 1.00 0.00 N ATOM 1410 CA LEU B 37 0.768 -9.043 -3.034 1.00 0.00 C ATOM 1411 C LEU B 37 0.183 -8.703 -4.420 1.00 0.00 C ATOM 1412 O LEU B 37 -0.993 -8.370 -4.531 1.00 0.00 O ATOM 1413 CB LEU B 37 1.572 -7.899 -2.358 1.00 0.00 C ATOM 1414 CG LEU B 37 1.553 -6.505 -3.018 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.206 -5.777 -2.801 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.645 -5.618 -2.401 1.00 0.00 C ATOM 0 H LEU B 37 2.552 -10.070 -2.741 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.111 -9.216 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.202 -7.790 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.611 -8.220 -2.287 1.00 0.00 H new ATOM 0 HG LEU B 37 1.716 -6.664 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.239 -4.800 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.601 -6.368 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.029 -5.649 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU B 37 2.625 -4.635 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.465 -5.511 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.620 -6.077 -2.561 1.00 0.00 H new ATOM 1428 N GLN B 38 0.953 -8.841 -5.501 1.00 0.00 N ATOM 1429 CA GLN B 38 0.493 -8.611 -6.865 1.00 0.00 C ATOM 1430 C GLN B 38 -0.564 -9.670 -7.237 1.00 0.00 C ATOM 1431 O GLN B 38 -1.492 -9.372 -7.987 1.00 0.00 O ATOM 1432 CB GLN B 38 1.706 -8.598 -7.805 1.00 0.00 C ATOM 1433 CG GLN B 38 1.451 -8.647 -9.317 1.00 0.00 C ATOM 1434 CD GLN B 38 2.726 -9.139 -10.000 1.00 0.00 C ATOM 1435 OE1 GLN B 38 2.807 -10.291 -10.424 1.00 0.00 O ATOM 1436 NE2 GLN B 38 3.764 -8.310 -10.023 1.00 0.00 N ATOM 0 H GLN B 38 1.932 -9.121 -5.448 1.00 0.00 H new ATOM 0 HA GLN B 38 0.005 -7.641 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.282 -7.697 -7.593 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.337 -9.448 -7.546 1.00 0.00 H new ATOM 0 HG2 GLN B 38 0.618 -9.314 -9.541 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.177 -7.660 -9.689 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.666 -7.360 -9.664 1.00 0.00 H new ATOM 0 HE22 GLN B 38 4.659 -8.623 -10.400 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.479 -10.892 -6.692 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.507 -11.899 -6.888 1.00 0.00 C ATOM 1447 C GLN B 39 -2.764 -11.538 -6.089 1.00 0.00 C ATOM 1448 O GLN B 39 -3.857 -11.764 -6.593 1.00 0.00 O ATOM 1449 CB GLN B 39 -1.034 -13.322 -6.571 1.00 0.00 C ATOM 1450 CG GLN B 39 0.313 -13.736 -7.184 1.00 0.00 C ATOM 1451 CD GLN B 39 0.587 -13.228 -8.605 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.043 -13.732 -9.579 1.00 0.00 O ATOM 1453 NE2 GLN B 39 1.465 -12.240 -8.733 1.00 0.00 N ATOM 0 H GLN B 39 0.300 -11.199 -6.110 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.749 -11.900 -7.951 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.966 -13.428 -5.488 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.797 -14.022 -6.913 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.111 -13.381 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.368 -14.825 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN B 39 1.904 -11.837 -7.905 1.00 0.00 H new ATOM 0 HE22 GLN B 39 1.700 -11.884 -9.659 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.644 -10.916 -4.903 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.793 -10.312 -4.210 1.00 0.00 C ATOM 1464 C LEU B 40 -4.420 -9.198 -5.070 1.00 0.00 C ATOM 1465 O LEU B 40 -5.642 -9.044 -5.106 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.407 -9.756 -2.823 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.709 -10.727 -1.848 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.388 -9.997 -0.538 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.527 -11.985 -1.534 1.00 0.00 C ATOM 0 H LEU B 40 -1.760 -10.819 -4.404 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.527 -11.103 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.752 -8.897 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.313 -9.386 -2.342 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.800 -11.060 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.895 -10.684 0.150 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.729 -9.154 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.312 -9.634 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.970 -12.618 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.476 -11.698 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.717 -12.535 -2.456 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.593 -8.454 -5.815 1.00 0.00 N ATOM 1482 CA PHE B 41 -4.024 -7.424 -6.760 1.00 0.00 C ATOM 1483 C PHE B 41 -4.878 -8.052 -7.858 1.00 0.00 C ATOM 1484 O PHE B 41 -5.987 -7.601 -8.131 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.802 -6.673 -7.319 1.00 0.00 C ATOM 1486 CG PHE B 41 -3.014 -5.192 -7.544 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -3.848 -4.741 -8.586 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -2.371 -4.260 -6.709 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -4.059 -3.364 -8.770 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -2.574 -2.885 -6.902 1.00 0.00 C ATOM 1491 CZ PHE B 41 -3.430 -2.434 -7.923 1.00 0.00 C ATOM 0 H PHE B 41 -2.579 -8.557 -5.774 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.644 -6.688 -6.248 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.966 -6.806 -6.632 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.513 -7.132 -8.264 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -4.325 -5.453 -9.243 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -1.720 -4.603 -5.918 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -4.705 -3.019 -9.563 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -2.072 -2.172 -6.265 1.00 0.00 H new ATOM 0 HZ PHE B 41 -3.604 -1.376 -8.056 1.00 0.00 H new ATOM 1501 N LEU B 42 -4.367 -9.131 -8.458 1.00 0.00 N ATOM 1502 CA LEU B 42 -5.075 -9.919 -9.460 1.00 0.00 C ATOM 1503 C LEU B 42 -6.316 -10.616 -8.880 1.00 0.00 C ATOM 1504 O LEU B 42 -7.294 -10.795 -9.601 1.00 0.00 O ATOM 1505 CB LEU B 42 -4.094 -10.938 -10.060 1.00 0.00 C ATOM 1506 CG LEU B 42 -3.061 -10.305 -11.017 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -1.920 -11.291 -11.287 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -3.696 -9.895 -12.355 1.00 0.00 C ATOM 0 H LEU B 42 -3.432 -9.484 -8.254 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.441 -9.252 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.567 -11.443 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -4.657 -11.700 -10.598 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.676 -9.409 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.197 -10.835 -11.963 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.429 -11.545 -10.348 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.322 -12.196 -11.743 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.935 -9.454 -12.999 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -4.118 -10.774 -12.842 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.486 -9.166 -12.175 1.00 0.00 H new ATOM 1520 N SER B 43 -6.288 -10.997 -7.598 1.00 0.00 N ATOM 1521 CA SER B 43 -7.401 -11.597 -6.872 1.00 0.00 C ATOM 1522 C SER B 43 -8.560 -10.607 -6.770 1.00 0.00 C ATOM 1523 O SER B 43 -9.696 -10.939 -7.116 1.00 0.00 O ATOM 1524 CB SER B 43 -6.929 -12.026 -5.471 1.00 0.00 C ATOM 1525 OG SER B 43 -7.877 -12.834 -4.810 1.00 0.00 O ATOM 0 H SER B 43 -5.455 -10.889 -7.020 1.00 0.00 H new ATOM 0 HA SER B 43 -7.752 -12.477 -7.412 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.989 -12.570 -5.558 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.729 -11.139 -4.870 1.00 0.00 H new ATOM 0 HG SER B 43 -7.535 -13.084 -3.926 1.00 0.00 H new ATOM 1531 N THR B 44 -8.304 -9.408 -6.232 1.00 0.00 N ATOM 1532 CA THR B 44 -9.321 -8.390 -5.975 1.00 0.00 C ATOM 1533 C THR B 44 -8.724 -7.002 -5.695 1.00 0.00 C ATOM 1534 O THR B 44 -9.391 -6.012 -5.990 1.00 0.00 O ATOM 1535 CB THR B 44 -10.212 -8.857 -4.794 1.00 0.00 C ATOM 1536 OG1 THR B 44 -11.030 -9.940 -5.192 1.00 0.00 O ATOM 1537 CG2 THR B 44 -11.175 -7.806 -4.230 1.00 0.00 C ATOM 0 H THR B 44 -7.365 -9.116 -5.959 1.00 0.00 H new ATOM 0 HA THR B 44 -9.921 -8.279 -6.878 1.00 0.00 H new ATOM 0 HB THR B 44 -9.487 -9.110 -4.020 1.00 0.00 H new ATOM 0 HG1 THR B 44 -10.798 -10.206 -6.106 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.747 -8.240 -3.410 1.00 0.00 H new ATOM 0 HG22 THR B 44 -10.607 -6.951 -3.863 1.00 0.00 H new ATOM 0 HG23 THR B 44 -11.857 -7.479 -5.015 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.528 -6.905 -5.099 1.00 0.00 N ATOM 1546 CA LEU B 45 -7.041 -5.670 -4.490 1.00 0.00 C ATOM 1547 C LEU B 45 -6.798 -4.574 -5.525 1.00 0.00 C ATOM 1548 O LEU B 45 -5.820 -4.632 -6.264 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.791 -5.975 -3.641 1.00 0.00 C ATOM 1550 CG LEU B 45 -5.303 -4.796 -2.776 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -4.812 -5.321 -1.423 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.149 -4.020 -3.424 1.00 0.00 C ATOM 0 H LEU B 45 -6.874 -7.684 -5.028 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.813 -5.275 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -6.007 -6.822 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.982 -6.282 -4.305 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.151 -4.121 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.467 -4.487 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.629 -5.831 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -3.990 -6.019 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -3.848 -3.202 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -3.303 -4.689 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.475 -3.616 -4.383 1.00 0.00 H new ATOM 1564 N SER B 46 -7.648 -3.548 -5.553 1.00 0.00 N ATOM 1565 CA SER B 46 -7.342 -2.273 -6.160 1.00 0.00 C ATOM 1566 C SER B 46 -6.644 -1.394 -5.110 1.00 0.00 C ATOM 1567 O SER B 46 -6.524 -1.743 -3.930 1.00 0.00 O ATOM 1568 CB SER B 46 -8.625 -1.660 -6.754 1.00 0.00 C ATOM 1569 OG SER B 46 -9.799 -1.954 -6.021 1.00 0.00 O ATOM 0 H SER B 46 -8.582 -3.590 -5.145 1.00 0.00 H new ATOM 0 HA SER B 46 -6.653 -2.375 -6.998 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.506 -0.578 -6.810 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.748 -2.020 -7.775 1.00 0.00 H new ATOM 0 HG SER B 46 -10.434 -1.213 -6.110 1.00 0.00 H new ATOM 1575 N PHE B 47 -6.159 -0.235 -5.549 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.415 0.703 -4.723 1.00 0.00 C ATOM 1577 C PHE B 47 -5.989 2.100 -4.901 1.00 0.00 C ATOM 1578 O PHE B 47 -6.500 2.458 -5.969 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.910 0.651 -5.037 1.00 0.00 C ATOM 1580 CG PHE B 47 -3.058 0.453 -3.797 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.834 1.518 -2.900 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.505 -0.811 -3.523 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -2.053 1.316 -1.748 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.716 -1.011 -2.379 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.487 0.054 -1.493 1.00 0.00 C ATOM 0 H PHE B 47 -6.277 0.082 -6.511 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.520 0.420 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.717 -0.161 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.614 1.576 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -3.263 2.489 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.689 -1.634 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.888 2.131 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.286 -1.982 -2.181 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.876 -0.096 -0.615 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.915 2.866 -3.814 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.630 4.096 -3.589 1.00 0.00 C ATOM 1597 C VAL B 48 -5.672 5.036 -2.844 1.00 0.00 C ATOM 1598 O VAL B 48 -5.394 4.846 -1.664 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.972 3.738 -2.900 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.707 4.846 -2.147 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -8.970 3.250 -3.963 1.00 0.00 C ATOM 0 H VAL B 48 -5.315 2.619 -3.027 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.925 4.643 -4.484 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.667 3.001 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.627 4.447 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.071 5.227 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.949 5.656 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -9.916 2.997 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.134 4.039 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -8.568 2.368 -4.462 1.00 0.00 H new ATOM 1611 N CYS B 49 -5.082 5.996 -3.565 1.00 0.00 N ATOM 1612 CA CYS B 49 -4.082 6.929 -3.036 1.00 0.00 C ATOM 1613 C CYS B 49 -4.659 7.754 -1.871 1.00 0.00 C ATOM 1614 O CYS B 49 -5.859 8.027 -1.864 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.604 7.836 -4.184 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.901 8.563 -5.232 1.00 0.00 S ATOM 0 H CYS B 49 -5.291 6.149 -4.552 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.233 6.373 -2.638 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.015 8.647 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.934 7.258 -4.821 1.00 0.00 H new ATOM 0 HG CYS B 49 -6.064 8.357 -4.689 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.836 8.232 -0.912 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.336 8.911 0.288 1.00 0.00 C ATOM 1623 C PRO B 50 -5.140 10.187 -0.018 1.00 0.00 C ATOM 1624 O PRO B 50 -6.028 10.561 0.755 1.00 0.00 O ATOM 1625 CB PRO B 50 -3.106 9.187 1.162 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.930 9.113 0.188 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.390 8.072 -0.830 1.00 0.00 C ATOM 0 HA PRO B 50 -5.056 8.278 0.807 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -3.167 10.165 1.639 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -3.010 8.450 1.959 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.734 10.077 -0.281 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -1.010 8.809 0.688 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.920 8.235 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -2.123 7.064 -0.511 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.867 10.816 -1.167 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.605 11.942 -1.715 1.00 0.00 C ATOM 1637 C TRP B 51 -7.079 11.570 -1.888 1.00 0.00 C ATOM 1638 O TRP B 51 -7.922 12.138 -1.189 1.00 0.00 O ATOM 1639 CB TRP B 51 -4.947 12.377 -3.033 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.667 13.427 -3.825 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -6.260 14.536 -3.325 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -5.874 13.483 -5.271 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -6.829 15.261 -4.351 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -6.611 14.666 -5.576 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -5.506 12.659 -6.358 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -6.960 15.016 -6.890 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -5.850 13.000 -7.680 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -6.574 14.175 -7.947 1.00 0.00 C ATOM 0 H TRP B 51 -4.088 10.535 -1.762 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.574 12.789 -1.030 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -3.946 12.745 -2.809 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.829 11.495 -3.663 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -6.284 14.811 -2.281 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -7.347 16.130 -4.220 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -4.951 11.751 -6.172 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -7.518 15.920 -7.086 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -5.556 12.355 -8.494 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -6.833 14.431 -8.964 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.398 10.615 -2.771 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.780 10.181 -2.950 1.00 0.00 C ATOM 1661 C CYS B 52 -9.287 9.399 -1.757 1.00 0.00 C ATOM 1662 O CYS B 52 -10.494 9.345 -1.535 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.939 9.294 -4.173 1.00 0.00 C ATOM 1664 SG CYS B 52 -8.059 7.725 -4.154 1.00 0.00 S ATOM 0 H CYS B 52 -6.722 10.135 -3.365 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.359 11.097 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -10.001 9.087 -4.307 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -8.611 9.857 -5.047 1.00 0.00 H new ATOM 0 HG CYS B 52 -8.090 7.196 -5.341 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.394 8.789 -0.974 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.851 8.070 0.188 1.00 0.00 C ATOM 1671 C ALA B 53 -9.586 9.035 1.119 1.00 0.00 C ATOM 1672 O ALA B 53 -10.672 8.716 1.608 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.684 7.431 0.934 1.00 0.00 C ATOM 0 H ALA B 53 -7.385 8.784 -1.126 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.523 7.276 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -8.059 6.895 1.806 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -7.168 6.734 0.274 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.989 8.207 1.256 1.00 0.00 H new ATOM 1679 N THR B 54 -8.979 10.214 1.299 1.00 0.00 N ATOM 1680 CA THR B 54 -9.455 11.334 2.091 1.00 0.00 C ATOM 1681 C THR B 54 -10.614 12.063 1.391 1.00 0.00 C ATOM 1682 O THR B 54 -11.646 12.292 2.017 1.00 0.00 O ATOM 1683 CB THR B 54 -8.263 12.282 2.342 1.00 0.00 C ATOM 1684 OG1 THR B 54 -7.148 11.568 2.840 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.595 13.401 3.333 1.00 0.00 C ATOM 0 H THR B 54 -8.080 10.416 0.861 1.00 0.00 H new ATOM 0 HA THR B 54 -9.848 10.974 3.042 1.00 0.00 H new ATOM 0 HB THR B 54 -8.031 12.730 1.376 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.667 11.151 2.095 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.720 14.036 3.471 1.00 0.00 H new ATOM 0 HG22 THR B 54 -9.420 13.998 2.944 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.882 12.966 4.290 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.440 12.463 0.122 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.302 13.457 -0.539 1.00 0.00 C ATOM 1695 C ASN B 55 -12.321 12.844 -1.502 1.00 0.00 C ATOM 1696 O ASN B 55 -13.264 13.526 -1.896 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.447 14.456 -1.341 1.00 0.00 C ATOM 1698 CG ASN B 55 -9.474 15.238 -0.472 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -9.790 16.300 0.047 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.272 14.716 -0.284 1.00 0.00 N ATOM 0 H ASN B 55 -9.696 12.106 -0.477 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.848 13.948 0.267 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -9.889 13.916 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.104 15.154 -1.859 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -7.592 15.200 0.302 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.026 13.830 -0.725 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.125 11.574 -1.862 1.00 0.00 N ATOM 1708 CA GLN B 56 -12.674 10.926 -3.049 1.00 0.00 C ATOM 1709 C GLN B 56 -12.375 11.759 -4.300 1.00 0.00 C ATOM 1710 O GLN B 56 -11.179 12.100 -4.441 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.138 10.518 -2.819 1.00 0.00 C ATOM 1712 CG GLN B 56 -14.596 9.476 -3.850 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.656 8.557 -3.263 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.324 7.565 -2.614 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -16.930 8.870 -3.460 1.00 0.00 N ATOM 0 H GLN B 56 -11.551 10.941 -1.305 1.00 0.00 H new ATOM 0 HA GLN B 56 -12.173 9.977 -3.242 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -14.251 10.112 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -14.777 11.399 -2.881 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -14.994 9.981 -4.730 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -13.741 8.886 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.174 9.699 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.666 8.282 -3.069 1.00 0.00 H new