USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 865 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 45 LYS NZ :NH3+ -160:sc= -3.26! (180deg=-3.58!) USER MOD Set 1.2: A 47 GLN :FLIP amide:sc= -2.01! C(o=-17!,f=-5.7!) USER MOD Set 1.3: A 100 MET CE :methyl -142:sc= -0.438 (180deg=-2.19!) USER MOD Set 2.1: A 69 CYS SG : rot -30:sc= -4.66! USER MOD Set 2.2: A 107 ASN :FLIP amide:sc= -5.78! C(o=-14!,f=-10!) USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= 0.0217 USER MOD Set 3.2: A 56 GLN :FLIP amide:sc= -3.91! C(o=-7.1!,f=-3.9!) USER MOD Set 4.1: A 52 ASN : amide:sc= -5.17! C(o=-7.6!,f=-10!) USER MOD Set 4.2: A 54 THR OG1 : rot 117:sc= -0.923 USER MOD Set 4.3: A 59 MET CE :methyl 159:sc= -1.46 (180deg=-0.219) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.438 USER MOD Single : A 16 ASN :FLIP amide:sc= -1.7 F(o=-4.4!,f=-1.7) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0146 (180deg=-0.283) USER MOD Single : A 32 LYS NZ :NH3+ -141:sc= -1.01 (180deg=-1.98) USER MOD Single : A 34 ASN : amide:sc= -0.552 K(o=-0.55,f=-2!) USER MOD Single : A 42 ASN : amide:sc= -1.02 K(o=-1,f=-4.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -2.69 (180deg=-3.04!) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= -0.267 (180deg=-1.74!) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.78! USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -5.69! C(o=-5.7!,f=-8.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -1.7 F(o=-2.3!,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -114:sc= -2.23! (180deg=-5.43!) USER MOD Single : A 77 THR OG1 : rot 92:sc= 0.0511 USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -0.136 (180deg=-1.05) USER MOD Single : A 81 GLN : amide:sc= -1.38! C(o=-1.4!,f=-2.3!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.864 F(o=-2.5,f=-0.86) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.44 F(o=-12!,f=-3.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -52:sc= -0.232 USER MOD Single : A 98 THR OG1 : rot 90:sc= 0.0222 USER MOD Single : A 110 LYS NZ :NH3+ 158:sc= -1.22 (180deg=-1.84) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -162:sc= -0.0687 (180deg=-0.711) USER MOD Single : A 113 MET CE :methyl -159:sc= -0.21 (180deg=-0.253) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 14 -0.124 -7.733 -3.041 1.00 0.00 N ATOM 157 CA TYR A 14 0.024 -6.838 -4.183 1.00 0.00 C ATOM 158 C TYR A 14 -1.082 -7.090 -5.204 1.00 0.00 C ATOM 159 O TYR A 14 -1.757 -8.117 -5.159 1.00 0.00 O ATOM 160 CB TYR A 14 1.388 -7.050 -4.842 1.00 0.00 C ATOM 161 CG TYR A 14 2.481 -6.777 -3.837 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.003 -5.485 -3.704 1.00 0.00 C ATOM 163 CD2 TYR A 14 2.973 -7.816 -3.039 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.016 -5.231 -2.772 1.00 0.00 C ATOM 165 CE2 TYR A 14 3.987 -7.563 -2.107 1.00 0.00 C ATOM 166 CZ TYR A 14 4.509 -6.270 -1.973 1.00 0.00 C ATOM 167 OH TYR A 14 5.508 -6.020 -1.055 1.00 0.00 O ATOM 0 HA TYR A 14 -0.049 -5.810 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.469 -8.071 -5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.496 -6.388 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.624 -4.684 -4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.571 -8.813 -3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.417 -4.234 -2.669 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.367 -8.365 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 14 5.733 -6.849 -0.583 1.00 0.00 H new ATOM 177 N VAL A 15 -1.260 -6.146 -6.122 1.00 0.00 N ATOM 178 CA VAL A 15 -2.296 -6.274 -7.140 1.00 0.00 C ATOM 179 C VAL A 15 -1.801 -5.738 -8.480 1.00 0.00 C ATOM 180 O VAL A 15 -1.802 -6.452 -9.482 1.00 0.00 O ATOM 181 CB VAL A 15 -3.547 -5.505 -6.712 1.00 0.00 C ATOM 182 CG1 VAL A 15 -3.147 -4.346 -5.796 1.00 0.00 C ATOM 183 CG2 VAL A 15 -4.253 -4.952 -7.952 1.00 0.00 C ATOM 0 H VAL A 15 -0.706 -5.292 -6.182 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.540 -7.331 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.220 -6.175 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.039 -3.798 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.642 -4.738 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.474 -3.675 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.145 -4.404 -7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.579 -4.282 -8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.539 -5.776 -8.606 1.00 0.00 H new ATOM 193 N ASN A 16 -1.380 -4.478 -8.488 1.00 0.00 N ATOM 194 CA ASN A 16 -0.896 -3.853 -9.713 1.00 0.00 C ATOM 195 C ASN A 16 0.456 -4.433 -10.116 1.00 0.00 C ATOM 196 O ASN A 16 0.839 -4.386 -11.285 1.00 0.00 O ATOM 197 CB ASN A 16 -0.766 -2.342 -9.512 1.00 0.00 C ATOM 198 CG ASN A 16 -2.127 -1.743 -9.174 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.244 -0.956 -8.140 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -3.109 -1.997 -9.872 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.364 -3.873 -7.667 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.614 -4.054 -10.508 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.058 -2.133 -8.710 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.370 -1.879 -10.416 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.015 -2.613 -10.680 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.016 -1.592 -9.642 1.00 0.00 H new ATOM 207 N GLY A 17 1.174 -4.979 -9.141 1.00 0.00 N ATOM 208 CA GLY A 17 2.483 -5.564 -9.407 1.00 0.00 C ATOM 209 C GLY A 17 3.384 -5.465 -8.181 1.00 0.00 C ATOM 210 O GLY A 17 3.119 -4.685 -7.266 1.00 0.00 O ATOM 0 H GLY A 17 0.875 -5.029 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.367 -6.609 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.950 -5.052 -10.248 1.00 0.00 H new ATOM 214 N ARG A 18 4.450 -6.259 -8.169 1.00 0.00 N ATOM 215 CA ARG A 18 5.383 -6.253 -7.048 1.00 0.00 C ATOM 216 C ARG A 18 6.526 -5.277 -7.309 1.00 0.00 C ATOM 217 O ARG A 18 6.960 -5.102 -8.447 1.00 0.00 O ATOM 218 CB ARG A 18 5.947 -7.658 -6.831 1.00 0.00 C ATOM 219 CG ARG A 18 4.899 -8.528 -6.135 1.00 0.00 C ATOM 220 CD ARG A 18 3.627 -8.572 -6.984 1.00 0.00 C ATOM 221 NE ARG A 18 3.967 -8.708 -8.397 1.00 0.00 N ATOM 222 CZ ARG A 18 4.303 -9.885 -8.912 1.00 0.00 C ATOM 223 NH1 ARG A 18 4.332 -10.946 -8.153 1.00 0.00 N ATOM 224 NH2 ARG A 18 4.604 -9.980 -10.179 1.00 0.00 N ATOM 0 H ARG A 18 4.688 -6.910 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 18 4.847 -5.936 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.226 -8.101 -7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.853 -7.608 -6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.287 -9.536 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.676 -8.126 -5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.001 -9.408 -6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.046 -7.663 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 18 3.946 -7.885 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.096 -10.872 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.590 -11.850 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.581 -9.151 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.862 -10.884 -10.575 1.00 0.00 H new ATOM 238 N PRO A 19 7.012 -4.643 -6.277 1.00 0.00 N ATOM 239 CA PRO A 19 8.128 -3.663 -6.384 1.00 0.00 C ATOM 240 C PRO A 19 9.330 -4.237 -7.131 1.00 0.00 C ATOM 241 O PRO A 19 9.549 -5.447 -7.136 1.00 0.00 O ATOM 242 CB PRO A 19 8.482 -3.363 -4.928 1.00 0.00 C ATOM 243 CG PRO A 19 7.246 -3.668 -4.145 1.00 0.00 C ATOM 244 CD PRO A 19 6.514 -4.791 -4.884 1.00 0.00 C ATOM 0 HA PRO A 19 7.843 -2.777 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.319 -3.975 -4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.779 -2.322 -4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.498 -3.975 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.614 -2.784 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.753 -5.771 -4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.432 -4.676 -4.826 1.00 0.00 H new ATOM 252 N THR A 20 10.103 -3.358 -7.761 1.00 0.00 N ATOM 253 CA THR A 20 11.295 -3.784 -8.486 1.00 0.00 C ATOM 254 C THR A 20 12.476 -3.932 -7.533 1.00 0.00 C ATOM 255 O THR A 20 13.438 -4.640 -7.827 1.00 0.00 O ATOM 256 CB THR A 20 11.638 -2.761 -9.572 1.00 0.00 C ATOM 257 OG1 THR A 20 10.511 -2.576 -10.418 1.00 0.00 O ATOM 258 CG2 THR A 20 12.820 -3.269 -10.399 1.00 0.00 C ATOM 0 H THR A 20 9.927 -2.354 -7.784 1.00 0.00 H new ATOM 0 HA THR A 20 11.092 -4.750 -8.948 1.00 0.00 H new ATOM 0 HB THR A 20 11.904 -1.812 -9.107 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.728 -1.920 -11.113 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.063 -2.540 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.684 -3.412 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.556 -4.218 -10.866 1.00 0.00 H new ATOM 266 N PHE A 21 12.395 -3.260 -6.389 1.00 0.00 N ATOM 267 CA PHE A 21 13.463 -3.323 -5.398 1.00 0.00 C ATOM 268 C PHE A 21 13.141 -4.367 -4.333 1.00 0.00 C ATOM 269 O PHE A 21 11.992 -4.508 -3.916 1.00 0.00 O ATOM 270 CB PHE A 21 13.645 -1.954 -4.738 1.00 0.00 C ATOM 271 CG PHE A 21 14.745 -2.033 -3.708 1.00 0.00 C ATOM 272 CD1 PHE A 21 16.076 -2.180 -4.114 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.434 -1.958 -2.344 1.00 0.00 C ATOM 274 CE1 PHE A 21 17.097 -2.252 -3.158 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.453 -2.031 -1.389 1.00 0.00 C ATOM 276 CZ PHE A 21 16.785 -2.177 -1.795 1.00 0.00 C ATOM 0 H PHE A 21 11.606 -2.669 -6.126 1.00 0.00 H new ATOM 0 HA PHE A 21 14.387 -3.607 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.891 -1.205 -5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.714 -1.639 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.316 -2.238 -5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.407 -1.844 -2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.124 -2.365 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.212 -1.975 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.572 -2.232 -1.057 1.00 0.00 H new ATOM 286 N VAL A 22 14.164 -5.094 -3.895 1.00 0.00 N ATOM 287 CA VAL A 22 13.977 -6.122 -2.877 1.00 0.00 C ATOM 288 C VAL A 22 14.445 -5.621 -1.516 1.00 0.00 C ATOM 289 O VAL A 22 15.207 -4.658 -1.426 1.00 0.00 O ATOM 290 CB VAL A 22 14.760 -7.381 -3.256 1.00 0.00 C ATOM 291 CG1 VAL A 22 13.792 -8.455 -3.757 1.00 0.00 C ATOM 292 CG2 VAL A 22 15.761 -7.043 -4.364 1.00 0.00 C ATOM 0 H VAL A 22 15.124 -4.992 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 22 12.915 -6.358 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 22 15.294 -7.753 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.351 -9.351 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.077 -8.696 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.258 -8.084 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.320 -7.939 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.225 -6.671 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.452 -6.278 -4.009 1.00 0.00 H new ATOM 302 N GLY A 23 13.984 -6.280 -0.457 1.00 0.00 N ATOM 303 CA GLY A 23 14.362 -5.890 0.897 1.00 0.00 C ATOM 304 C GLY A 23 14.031 -6.995 1.894 1.00 0.00 C ATOM 305 O GLY A 23 14.147 -8.180 1.583 1.00 0.00 O ATOM 0 H GLY A 23 13.353 -7.080 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.429 -5.671 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.839 -4.975 1.175 1.00 0.00 H new ATOM 309 N GLU A 24 13.620 -6.599 3.094 1.00 0.00 N ATOM 310 CA GLU A 24 13.278 -7.567 4.131 1.00 0.00 C ATOM 311 C GLU A 24 11.933 -7.224 4.762 1.00 0.00 C ATOM 312 O GLU A 24 10.932 -7.896 4.513 1.00 0.00 O ATOM 313 CB GLU A 24 14.362 -7.579 5.210 1.00 0.00 C ATOM 314 CG GLU A 24 14.139 -8.769 6.145 1.00 0.00 C ATOM 315 CD GLU A 24 14.436 -10.072 5.411 1.00 0.00 C ATOM 316 OE1 GLU A 24 15.198 -10.033 4.460 1.00 0.00 O ATOM 317 OE2 GLU A 24 13.895 -11.091 5.810 1.00 0.00 O ATOM 0 H GLU A 24 13.516 -5.623 3.372 1.00 0.00 H new ATOM 0 HA GLU A 24 13.210 -8.554 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.348 -7.645 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.336 -6.648 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.783 -8.680 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.110 -8.771 6.505 1.00 0.00 H new ATOM 324 N GLU A 25 11.917 -6.176 5.579 1.00 0.00 N ATOM 325 CA GLU A 25 10.687 -5.752 6.236 1.00 0.00 C ATOM 326 C GLU A 25 9.772 -5.034 5.250 1.00 0.00 C ATOM 327 O GLU A 25 10.170 -4.054 4.619 1.00 0.00 O ATOM 328 CB GLU A 25 11.013 -4.819 7.403 1.00 0.00 C ATOM 329 CG GLU A 25 9.717 -4.399 8.099 1.00 0.00 C ATOM 330 CD GLU A 25 10.034 -3.519 9.304 1.00 0.00 C ATOM 331 OE1 GLU A 25 11.203 -3.245 9.522 1.00 0.00 O ATOM 332 OE2 GLU A 25 9.103 -3.130 9.990 1.00 0.00 O ATOM 0 H GLU A 25 12.735 -5.609 5.801 1.00 0.00 H new ATOM 0 HA GLU A 25 10.175 -6.638 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.672 -5.322 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.545 -3.939 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.078 -3.858 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.163 -5.282 8.419 1.00 0.00 H new ATOM 339 N VAL A 26 8.545 -5.527 5.122 1.00 0.00 N ATOM 340 CA VAL A 26 7.582 -4.924 4.208 1.00 0.00 C ATOM 341 C VAL A 26 6.260 -4.658 4.920 1.00 0.00 C ATOM 342 O VAL A 26 5.704 -5.543 5.569 1.00 0.00 O ATOM 343 CB VAL A 26 7.343 -5.850 3.014 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.770 -5.042 1.847 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.669 -6.484 2.590 1.00 0.00 C ATOM 0 H VAL A 26 8.196 -6.336 5.635 1.00 0.00 H new ATOM 0 HA VAL A 26 7.989 -3.976 3.856 1.00 0.00 H new ATOM 0 HB VAL A 26 6.637 -6.632 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.600 -5.702 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.826 -4.587 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.475 -4.261 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.501 -7.144 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.373 -5.701 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.079 -7.059 3.420 1.00 0.00 H new ATOM 355 N THR A 27 5.762 -3.432 4.794 1.00 0.00 N ATOM 356 CA THR A 27 4.506 -3.058 5.433 1.00 0.00 C ATOM 357 C THR A 27 3.772 -2.012 4.599 1.00 0.00 C ATOM 358 O THR A 27 4.371 -1.352 3.749 1.00 0.00 O ATOM 359 CB THR A 27 4.777 -2.501 6.832 1.00 0.00 C ATOM 360 OG1 THR A 27 3.564 -2.017 7.390 1.00 0.00 O ATOM 361 CG2 THR A 27 5.790 -1.359 6.741 1.00 0.00 C ATOM 0 H THR A 27 6.206 -2.685 4.259 1.00 0.00 H new ATOM 0 HA THR A 27 3.881 -3.947 5.512 1.00 0.00 H new ATOM 0 HB THR A 27 5.180 -3.291 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.736 -1.661 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.982 -0.963 7.738 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.721 -1.731 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.390 -0.568 6.107 1.00 0.00 H new ATOM 369 N LYS A 28 2.475 -1.867 4.847 1.00 0.00 N ATOM 370 CA LYS A 28 1.671 -0.901 4.107 1.00 0.00 C ATOM 371 C LYS A 28 1.537 0.399 4.892 1.00 0.00 C ATOM 372 O LYS A 28 1.263 0.386 6.092 1.00 0.00 O ATOM 373 CB LYS A 28 0.282 -1.479 3.832 1.00 0.00 C ATOM 374 CG LYS A 28 -0.439 -1.726 5.159 1.00 0.00 C ATOM 375 CD LYS A 28 -1.728 -2.511 4.902 1.00 0.00 C ATOM 376 CE LYS A 28 -2.559 -2.564 6.185 1.00 0.00 C ATOM 377 NZ LYS A 28 -1.786 -3.268 7.248 1.00 0.00 N ATOM 0 H LYS A 28 1.961 -2.401 5.548 1.00 0.00 H new ATOM 0 HA LYS A 28 2.170 -0.690 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.295 -0.790 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.368 -2.411 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.208 -2.281 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.669 -0.776 5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.301 -2.038 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.491 -3.521 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.810 -1.554 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.500 -3.082 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.425 -3.530 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.353 -4.126 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.041 -2.639 7.609 1.00 0.00 H new ATOM 391 N GLY A 29 1.734 1.521 4.207 1.00 0.00 N ATOM 392 CA GLY A 29 1.621 2.826 4.849 1.00 0.00 C ATOM 393 C GLY A 29 0.170 3.141 5.191 1.00 0.00 C ATOM 394 O GLY A 29 -0.177 3.331 6.357 1.00 0.00 O ATOM 0 H GLY A 29 1.971 1.554 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.224 2.842 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.018 3.596 4.188 1.00 0.00 H new ATOM 398 N PHE A 30 -0.676 3.197 4.168 1.00 0.00 N ATOM 399 CA PHE A 30 -2.092 3.479 4.373 1.00 0.00 C ATOM 400 C PHE A 30 -2.823 2.232 4.860 1.00 0.00 C ATOM 401 O PHE A 30 -2.494 1.114 4.463 1.00 0.00 O ATOM 402 CB PHE A 30 -2.722 3.965 3.067 1.00 0.00 C ATOM 403 CG PHE A 30 -1.980 5.184 2.574 1.00 0.00 C ATOM 404 CD1 PHE A 30 -0.823 5.034 1.799 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.449 6.465 2.891 1.00 0.00 C ATOM 406 CE1 PHE A 30 -0.136 6.165 1.343 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.761 7.595 2.433 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.605 7.445 1.659 1.00 0.00 C ATOM 0 H PHE A 30 -0.408 3.052 3.195 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.182 4.257 5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.685 3.175 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.773 4.205 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.461 4.046 1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.341 6.581 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.757 6.050 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.123 8.583 2.677 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.075 8.317 1.306 1.00 0.00 H new ATOM 418 N GLU A 31 -3.815 2.433 5.721 1.00 0.00 N ATOM 419 CA GLU A 31 -4.590 1.318 6.252 1.00 0.00 C ATOM 420 C GLU A 31 -5.860 1.110 5.434 1.00 0.00 C ATOM 421 O GLU A 31 -6.857 0.591 5.937 1.00 0.00 O ATOM 422 CB GLU A 31 -4.959 1.588 7.713 1.00 0.00 C ATOM 423 CG GLU A 31 -5.883 2.805 7.788 1.00 0.00 C ATOM 424 CD GLU A 31 -6.096 3.207 9.243 1.00 0.00 C ATOM 425 OE1 GLU A 31 -5.657 2.472 10.112 1.00 0.00 O ATOM 426 OE2 GLU A 31 -6.696 4.246 9.468 1.00 0.00 O ATOM 0 H GLU A 31 -4.100 3.350 6.064 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.982 0.416 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.453 0.716 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.058 1.765 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.450 3.636 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.841 2.574 7.322 1.00 0.00 H new ATOM 433 N LYS A 32 -5.818 1.519 4.170 1.00 0.00 N ATOM 434 CA LYS A 32 -6.975 1.380 3.293 1.00 0.00 C ATOM 435 C LYS A 32 -6.620 0.546 2.066 1.00 0.00 C ATOM 436 O LYS A 32 -5.459 0.480 1.664 1.00 0.00 O ATOM 437 CB LYS A 32 -7.465 2.760 2.851 1.00 0.00 C ATOM 438 CG LYS A 32 -7.706 3.636 4.082 1.00 0.00 C ATOM 439 CD LYS A 32 -8.893 3.085 4.876 1.00 0.00 C ATOM 440 CE LYS A 32 -9.399 4.153 5.846 1.00 0.00 C ATOM 441 NZ LYS A 32 -8.239 4.867 6.449 1.00 0.00 N ATOM 0 H LYS A 32 -5.002 1.946 3.733 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.767 0.874 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.728 3.227 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.385 2.663 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.814 3.656 4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.904 4.664 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.692 2.788 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.594 2.192 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.042 4.860 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.003 3.692 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.432 5.058 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.387 4.277 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.087 5.766 5.949 1.00 0.00 H new ATOM 455 N ASP A 33 -7.628 -0.091 1.478 1.00 0.00 N ATOM 456 CA ASP A 33 -7.411 -0.910 0.293 1.00 0.00 C ATOM 457 C ASP A 33 -6.376 -1.996 0.575 1.00 0.00 C ATOM 458 O ASP A 33 -6.182 -2.398 1.722 1.00 0.00 O ATOM 459 CB ASP A 33 -6.933 -0.036 -0.868 1.00 0.00 C ATOM 460 CG ASP A 33 -7.153 -0.760 -2.192 1.00 0.00 C ATOM 461 OD1 ASP A 33 -7.607 -1.891 -2.157 1.00 0.00 O ATOM 462 OD2 ASP A 33 -6.862 -0.172 -3.221 1.00 0.00 O ATOM 0 H ASP A 33 -8.595 -0.056 1.800 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.355 -1.384 0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.473 0.911 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.876 0.200 -0.745 1.00 0.00 H new ATOM 467 N ASN A 34 -5.715 -2.465 -0.478 1.00 0.00 N ATOM 468 CA ASN A 34 -4.705 -3.507 -0.331 1.00 0.00 C ATOM 469 C ASN A 34 -3.523 -2.996 0.485 1.00 0.00 C ATOM 470 O ASN A 34 -2.895 -3.751 1.227 1.00 0.00 O ATOM 471 CB ASN A 34 -4.220 -3.962 -1.708 1.00 0.00 C ATOM 472 CG ASN A 34 -5.385 -4.533 -2.510 1.00 0.00 C ATOM 473 OD1 ASN A 34 -5.555 -4.198 -3.682 1.00 0.00 O ATOM 474 ND2 ASN A 34 -6.200 -5.382 -1.944 1.00 0.00 N ATOM 0 H ASN A 34 -5.859 -2.143 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.154 -4.351 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.777 -3.122 -2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.440 -4.716 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.981 -5.770 -2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.056 -5.657 -0.972 1.00 0.00 H new ATOM 481 N GLY A 35 -3.224 -1.708 0.341 1.00 0.00 N ATOM 482 CA GLY A 35 -2.110 -1.107 1.067 1.00 0.00 C ATOM 483 C GLY A 35 -1.645 0.174 0.385 1.00 0.00 C ATOM 484 O GLY A 35 -1.030 1.035 1.014 1.00 0.00 O ATOM 0 H GLY A 35 -3.733 -1.065 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.413 -0.889 2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.283 -1.815 1.123 1.00 0.00 H new ATOM 488 N LEU A 36 -1.944 0.295 -0.903 1.00 0.00 N ATOM 489 CA LEU A 36 -1.560 1.481 -1.660 1.00 0.00 C ATOM 490 C LEU A 36 -0.042 1.635 -1.680 1.00 0.00 C ATOM 491 O LEU A 36 0.610 1.328 -2.679 1.00 0.00 O ATOM 492 CB LEU A 36 -2.193 2.725 -1.036 1.00 0.00 C ATOM 493 CG LEU A 36 -3.670 2.455 -0.746 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.335 3.738 -0.243 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.365 1.993 -2.029 1.00 0.00 C ATOM 0 H LEU A 36 -2.448 -0.409 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.916 1.367 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.673 2.988 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.093 3.575 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.754 1.679 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.388 3.545 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.841 4.070 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.251 4.514 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.418 1.800 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.280 2.770 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.893 1.079 -2.390 1.00 0.00 H new ATOM 507 N LEU A 37 0.515 2.114 -0.572 1.00 0.00 N ATOM 508 CA LEU A 37 1.957 2.317 -0.479 1.00 0.00 C ATOM 509 C LEU A 37 2.592 1.256 0.412 1.00 0.00 C ATOM 510 O LEU A 37 2.115 0.992 1.515 1.00 0.00 O ATOM 511 CB LEU A 37 2.254 3.707 0.087 1.00 0.00 C ATOM 512 CG LEU A 37 3.768 3.895 0.207 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.410 3.757 -1.175 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.065 5.287 0.769 1.00 0.00 C ATOM 0 H LEU A 37 -0.005 2.367 0.268 1.00 0.00 H new ATOM 0 HA LEU A 37 2.381 2.235 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.832 4.474 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.784 3.822 1.064 1.00 0.00 H new ATOM 0 HG LEU A 37 4.177 3.137 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.488 3.891 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.198 2.767 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.002 4.515 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.143 5.422 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.657 6.044 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.607 5.387 1.753 1.00 0.00 H new ATOM 526 N PHE A 38 3.671 0.651 -0.073 1.00 0.00 N ATOM 527 CA PHE A 38 4.371 -0.374 0.692 1.00 0.00 C ATOM 528 C PHE A 38 5.766 0.106 1.078 1.00 0.00 C ATOM 529 O PHE A 38 6.516 0.603 0.238 1.00 0.00 O ATOM 530 CB PHE A 38 4.481 -1.657 -0.132 1.00 0.00 C ATOM 531 CG PHE A 38 3.100 -2.124 -0.523 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.298 -2.796 0.408 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.620 -1.886 -1.816 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.017 -3.230 0.046 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.339 -2.320 -2.179 1.00 0.00 C ATOM 536 CZ PHE A 38 0.537 -2.992 -1.248 1.00 0.00 C ATOM 0 H PHE A 38 4.078 0.851 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 38 3.803 -0.574 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.082 -1.479 -1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.988 -2.430 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.668 -2.980 1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.238 -1.367 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.399 -3.748 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.969 -2.136 -3.177 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.451 -3.326 -1.528 1.00 0.00 H new ATOM 546 N ARG A 39 6.106 -0.044 2.355 1.00 0.00 N ATOM 547 CA ARG A 39 7.415 0.377 2.839 1.00 0.00 C ATOM 548 C ARG A 39 8.425 -0.759 2.712 1.00 0.00 C ATOM 549 O ARG A 39 8.293 -1.796 3.360 1.00 0.00 O ATOM 550 CB ARG A 39 7.315 0.812 4.302 1.00 0.00 C ATOM 551 CG ARG A 39 8.456 1.778 4.627 1.00 0.00 C ATOM 552 CD ARG A 39 8.429 2.120 6.117 1.00 0.00 C ATOM 553 NE ARG A 39 7.067 2.421 6.540 1.00 0.00 N ATOM 554 CZ ARG A 39 6.561 3.644 6.409 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.287 4.597 5.893 1.00 0.00 N ATOM 556 NH2 ARG A 39 5.339 3.890 6.796 1.00 0.00 N ATOM 0 H ARG A 39 5.499 -0.450 3.067 1.00 0.00 H new ATOM 0 HA ARG A 39 7.753 1.217 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.354 1.293 4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.365 -0.059 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.413 1.328 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.357 2.687 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.821 1.284 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.076 2.975 6.313 1.00 0.00 H new ATOM 0 HE ARG A 39 6.492 1.681 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.242 4.404 5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.900 5.535 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.772 3.144 7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.951 4.828 6.695 1.00 0.00 H new ATOM 570 N ILE A 40 9.436 -0.553 1.873 1.00 0.00 N ATOM 571 CA ILE A 40 10.460 -1.569 1.662 1.00 0.00 C ATOM 572 C ILE A 40 11.760 -1.169 2.354 1.00 0.00 C ATOM 573 O ILE A 40 12.251 -0.055 2.175 1.00 0.00 O ATOM 574 CB ILE A 40 10.713 -1.753 0.166 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.385 -2.024 -0.545 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.656 -2.938 -0.051 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.609 -2.035 -2.059 1.00 0.00 C ATOM 0 H ILE A 40 9.567 0.302 1.332 1.00 0.00 H new ATOM 0 HA ILE A 40 10.107 -2.508 2.088 1.00 0.00 H new ATOM 0 HB ILE A 40 11.167 -0.848 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.975 -2.980 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.656 -1.258 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.836 -3.069 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.602 -2.748 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.203 -3.843 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.663 -2.228 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.000 -1.068 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.324 -2.817 -2.315 1.00 0.00 H new ATOM 589 N VAL A 41 12.309 -2.084 3.147 1.00 0.00 N ATOM 590 CA VAL A 41 13.546 -1.809 3.868 1.00 0.00 C ATOM 591 C VAL A 41 14.547 -2.944 3.669 1.00 0.00 C ATOM 592 O VAL A 41 14.209 -4.117 3.825 1.00 0.00 O ATOM 593 CB VAL A 41 13.253 -1.641 5.361 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.540 -1.261 6.095 1.00 0.00 C ATOM 595 CG2 VAL A 41 12.212 -0.536 5.553 1.00 0.00 C ATOM 0 H VAL A 41 11.921 -3.014 3.306 1.00 0.00 H new ATOM 0 HA VAL A 41 13.976 -0.888 3.475 1.00 0.00 H new ATOM 0 HB VAL A 41 12.869 -2.578 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.331 -1.141 7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.283 -2.047 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.925 -0.324 5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.002 -0.415 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.597 0.401 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.294 -0.806 5.030 1.00 0.00 H new ATOM 605 N ASN A 42 15.779 -2.585 3.322 1.00 0.00 N ATOM 606 CA ASN A 42 16.823 -3.580 3.109 1.00 0.00 C ATOM 607 C ASN A 42 17.836 -3.544 4.249 1.00 0.00 C ATOM 608 O ASN A 42 18.695 -2.664 4.302 1.00 0.00 O ATOM 609 CB ASN A 42 17.535 -3.314 1.782 1.00 0.00 C ATOM 610 CG ASN A 42 18.004 -4.629 1.168 1.00 0.00 C ATOM 611 OD1 ASN A 42 18.846 -5.318 1.744 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.507 -5.019 0.027 1.00 0.00 N ATOM 0 H ASN A 42 16.077 -1.619 3.183 1.00 0.00 H new ATOM 0 HA ASN A 42 16.360 -4.566 3.080 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.861 -2.802 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.387 -2.654 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.816 -5.897 -0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.809 -4.446 -0.448 1.00 0.00 H new ATOM 619 N LYS A 43 17.729 -4.508 5.159 1.00 0.00 N ATOM 620 CA LYS A 43 18.633 -4.571 6.301 1.00 0.00 C ATOM 621 C LYS A 43 20.085 -4.632 5.836 1.00 0.00 C ATOM 622 O LYS A 43 20.992 -4.195 6.544 1.00 0.00 O ATOM 623 CB LYS A 43 18.317 -5.803 7.150 1.00 0.00 C ATOM 624 CG LYS A 43 16.911 -5.671 7.738 1.00 0.00 C ATOM 625 CD LYS A 43 16.645 -6.835 8.693 1.00 0.00 C ATOM 626 CE LYS A 43 15.203 -6.763 9.198 1.00 0.00 C ATOM 627 NZ LYS A 43 14.929 -7.925 10.089 1.00 0.00 N ATOM 0 H LYS A 43 17.031 -5.251 5.128 1.00 0.00 H new ATOM 0 HA LYS A 43 18.493 -3.671 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.385 -6.704 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.050 -5.903 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.815 -4.723 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 43 16.170 -5.666 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.816 -7.783 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.338 -6.795 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.042 -5.831 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.511 -6.766 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.948 -7.876 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.066 -8.809 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.581 -7.903 10.899 1.00 0.00 H new ATOM 641 N LYS A 44 20.297 -5.177 4.643 1.00 0.00 N ATOM 642 CA LYS A 44 21.645 -5.296 4.098 1.00 0.00 C ATOM 643 C LYS A 44 22.338 -3.938 4.077 1.00 0.00 C ATOM 644 O LYS A 44 23.399 -3.763 4.677 1.00 0.00 O ATOM 645 CB LYS A 44 21.585 -5.864 2.679 1.00 0.00 C ATOM 646 CG LYS A 44 22.997 -6.228 2.214 1.00 0.00 C ATOM 647 CD LYS A 44 22.925 -6.914 0.849 1.00 0.00 C ATOM 648 CE LYS A 44 22.839 -5.856 -0.252 1.00 0.00 C ATOM 649 NZ LYS A 44 24.041 -4.977 -0.192 1.00 0.00 N ATOM 0 H LYS A 44 19.560 -5.541 4.039 1.00 0.00 H new ATOM 0 HA LYS A 44 22.216 -5.971 4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.945 -6.746 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.145 -5.132 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.612 -5.331 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.471 -6.888 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.805 -7.540 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.056 -7.570 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 44 22.775 -6.336 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.934 -5.261 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 24.079 -4.382 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.986 -4.371 0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 24.898 -5.564 -0.142 1.00 0.00 H new ATOM 663 N LYS A 45 21.734 -2.981 3.382 1.00 0.00 N ATOM 664 CA LYS A 45 22.303 -1.642 3.288 1.00 0.00 C ATOM 665 C LYS A 45 21.497 -0.655 4.127 1.00 0.00 C ATOM 666 O LYS A 45 21.803 0.536 4.166 1.00 0.00 O ATOM 667 CB LYS A 45 22.319 -1.184 1.830 1.00 0.00 C ATOM 668 CG LYS A 45 23.160 -2.155 0.999 1.00 0.00 C ATOM 669 CD LYS A 45 23.142 -1.724 -0.468 1.00 0.00 C ATOM 670 CE LYS A 45 23.824 -0.362 -0.609 1.00 0.00 C ATOM 671 NZ LYS A 45 22.817 0.720 -0.423 1.00 0.00 N ATOM 0 H LYS A 45 20.856 -3.106 2.878 1.00 0.00 H new ATOM 0 HA LYS A 45 23.324 -1.674 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.302 -1.141 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.730 -0.177 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 45 24.185 -2.174 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.767 -3.167 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 45 23.655 -2.464 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.115 -1.667 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.620 -0.264 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.289 -0.276 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.175 1.603 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.928 0.451 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 22.644 0.862 0.593 1.00 0.00 H new ATOM 685 N LYS A 46 20.467 -1.161 4.798 1.00 0.00 N ATOM 686 CA LYS A 46 19.621 -0.314 5.632 1.00 0.00 C ATOM 687 C LYS A 46 19.063 0.854 4.825 1.00 0.00 C ATOM 688 O LYS A 46 18.816 1.932 5.366 1.00 0.00 O ATOM 689 CB LYS A 46 20.428 0.223 6.817 1.00 0.00 C ATOM 690 CG LYS A 46 20.209 -0.679 8.033 1.00 0.00 C ATOM 691 CD LYS A 46 18.893 -0.304 8.718 1.00 0.00 C ATOM 692 CE LYS A 46 18.221 -1.567 9.259 1.00 0.00 C ATOM 693 NZ LYS A 46 19.261 -2.498 9.780 1.00 0.00 N ATOM 0 H LYS A 46 20.199 -2.145 4.781 1.00 0.00 H new ATOM 0 HA LYS A 46 18.789 -0.915 5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.487 0.258 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.121 1.243 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.185 -1.724 7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.038 -0.572 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.081 0.397 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.233 0.198 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.520 -1.308 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.645 -2.052 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.845 -3.110 10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.622 -3.085 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.043 -1.950 10.192 1.00 0.00 H new ATOM 707 N GLN A 47 18.863 0.632 3.530 1.00 0.00 N ATOM 708 CA GLN A 47 18.323 1.674 2.663 1.00 0.00 C ATOM 709 C GLN A 47 16.823 1.479 2.467 1.00 0.00 C ATOM 710 O GLN A 47 16.372 0.398 2.089 1.00 0.00 O ATOM 711 CB GLN A 47 19.027 1.644 1.305 1.00 0.00 C ATOM 712 CG GLN A 47 18.717 0.324 0.597 1.00 0.00 C ATOM 713 CD GLN A 47 19.691 0.111 -0.556 1.00 0.00 C ATOM 714 OE1 GLN A 47 20.437 1.103 -0.960 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 19.776 -0.988 -1.104 1.00 0.00 N flip ATOM 0 H GLN A 47 19.064 -0.251 3.061 1.00 0.00 H new ATOM 0 HA GLN A 47 18.495 2.641 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.696 2.483 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 47 20.103 1.753 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.790 -0.503 1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.693 0.334 0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.192 -1.762 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.430 -1.124 -1.875 1.00 0.00 H new ATOM 724 N TRP A 48 16.056 2.533 2.727 1.00 0.00 N ATOM 725 CA TRP A 48 14.606 2.465 2.576 1.00 0.00 C ATOM 726 C TRP A 48 14.207 2.681 1.119 1.00 0.00 C ATOM 727 O TRP A 48 14.911 3.352 0.365 1.00 0.00 O ATOM 728 CB TRP A 48 13.940 3.528 3.452 1.00 0.00 C ATOM 729 CG TRP A 48 14.100 3.161 4.893 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.954 2.226 5.367 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.404 3.705 6.051 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.826 2.160 6.743 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.883 3.053 7.212 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.412 4.691 6.206 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.396 3.369 8.481 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.920 5.010 7.483 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.411 4.350 8.618 1.00 0.00 C ATOM 0 H TRP A 48 16.410 3.437 3.041 1.00 0.00 H new ATOM 0 HA TRP A 48 14.273 1.475 2.889 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.388 4.503 3.263 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.882 3.609 3.202 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.626 1.628 4.769 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.363 1.529 7.338 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.027 5.206 5.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.778 2.858 9.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.159 5.768 7.591 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.028 4.599 9.597 1.00 0.00 H new ATOM 748 N ALA A 49 13.072 2.107 0.732 1.00 0.00 N ATOM 749 CA ALA A 49 12.581 2.249 -0.634 1.00 0.00 C ATOM 750 C ALA A 49 11.055 2.234 -0.656 1.00 0.00 C ATOM 751 O ALA A 49 10.422 1.536 0.136 1.00 0.00 O ATOM 752 CB ALA A 49 13.116 1.109 -1.503 1.00 0.00 C ATOM 0 H ALA A 49 12.479 1.543 1.340 1.00 0.00 H new ATOM 0 HA ALA A 49 12.932 3.202 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.745 1.223 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.206 1.137 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.779 0.154 -1.099 1.00 0.00 H new ATOM 758 N TYR A 50 10.471 3.009 -1.563 1.00 0.00 N ATOM 759 CA TYR A 50 9.019 3.074 -1.673 1.00 0.00 C ATOM 760 C TYR A 50 8.563 2.639 -3.062 1.00 0.00 C ATOM 761 O TYR A 50 9.214 2.938 -4.063 1.00 0.00 O ATOM 762 CB TYR A 50 8.538 4.500 -1.401 1.00 0.00 C ATOM 763 CG TYR A 50 8.586 4.771 0.083 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.596 4.247 0.922 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.622 5.544 0.621 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.641 4.496 2.299 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.668 5.793 1.998 1.00 0.00 C ATOM 768 CZ TYR A 50 8.677 5.269 2.837 1.00 0.00 C ATOM 769 OH TYR A 50 8.722 5.516 4.194 1.00 0.00 O ATOM 0 H TYR A 50 10.976 3.596 -2.227 1.00 0.00 H new ATOM 0 HA TYR A 50 8.589 2.397 -0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.166 5.215 -1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.522 4.630 -1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.797 3.650 0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.386 5.948 -0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.877 4.092 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.467 6.389 2.413 1.00 0.00 H new ATOM 0 HH TYR A 50 9.506 6.067 4.400 1.00 0.00 H new ATOM 779 N TYR A 51 7.439 1.931 -3.113 1.00 0.00 N ATOM 780 CA TYR A 51 6.898 1.462 -4.383 1.00 0.00 C ATOM 781 C TYR A 51 5.419 1.818 -4.497 1.00 0.00 C ATOM 782 O TYR A 51 4.615 1.453 -3.639 1.00 0.00 O ATOM 783 CB TYR A 51 7.071 -0.054 -4.496 1.00 0.00 C ATOM 784 CG TYR A 51 6.304 -0.562 -5.693 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.806 -0.359 -6.984 1.00 0.00 C ATOM 786 CD2 TYR A 51 5.092 -1.237 -5.511 1.00 0.00 C ATOM 787 CE1 TYR A 51 6.094 -0.831 -8.093 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.380 -1.709 -6.621 1.00 0.00 C ATOM 789 CZ TYR A 51 4.882 -1.505 -7.912 1.00 0.00 C ATOM 790 OH TYR A 51 4.180 -1.971 -9.006 1.00 0.00 O ATOM 0 H TYR A 51 6.888 1.671 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 51 7.442 1.950 -5.192 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.127 -0.303 -4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.713 -0.540 -3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.742 0.161 -7.124 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.706 -1.394 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.481 -0.675 -9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.444 -2.230 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 51 3.361 -2.416 -8.704 1.00 0.00 H new ATOM 800 N ASN A 52 5.066 2.533 -5.560 1.00 0.00 N ATOM 801 CA ASN A 52 3.682 2.944 -5.767 1.00 0.00 C ATOM 802 C ASN A 52 2.917 1.882 -6.550 1.00 0.00 C ATOM 803 O ASN A 52 3.409 1.359 -7.550 1.00 0.00 O ATOM 804 CB ASN A 52 3.638 4.270 -6.529 1.00 0.00 C ATOM 805 CG ASN A 52 2.215 4.554 -6.999 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.664 3.799 -7.799 1.00 0.00 O ATOM 807 ND2 ASN A 52 1.585 5.602 -6.547 1.00 0.00 N ATOM 0 H ASN A 52 5.714 2.838 -6.287 1.00 0.00 H new ATOM 0 HA ASN A 52 3.212 3.069 -4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.986 5.079 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.311 4.230 -7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.633 5.798 -6.857 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.044 6.226 -5.884 1.00 0.00 H new ATOM 814 N ASP A 53 1.710 1.570 -6.089 1.00 0.00 N ATOM 815 CA ASP A 53 0.881 0.575 -6.757 1.00 0.00 C ATOM 816 C ASP A 53 -0.266 1.250 -7.504 1.00 0.00 C ATOM 817 O ASP A 53 -0.660 0.811 -8.584 1.00 0.00 O ATOM 818 CB ASP A 53 0.316 -0.410 -5.732 1.00 0.00 C ATOM 819 CG ASP A 53 -0.658 0.308 -4.803 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.558 1.518 -4.694 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.487 -0.364 -4.213 1.00 0.00 O ATOM 0 H ASP A 53 1.287 1.989 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 53 1.500 0.035 -7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.191 -1.228 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.127 -0.850 -5.152 1.00 0.00 H new ATOM 826 N THR A 54 -0.796 2.320 -6.920 1.00 0.00 N ATOM 827 CA THR A 54 -1.896 3.051 -7.539 1.00 0.00 C ATOM 828 C THR A 54 -1.453 3.660 -8.865 1.00 0.00 C ATOM 829 O THR A 54 -0.543 4.489 -8.906 1.00 0.00 O ATOM 830 CB THR A 54 -2.378 4.160 -6.602 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.256 4.849 -6.070 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.192 3.548 -5.461 1.00 0.00 C ATOM 0 H THR A 54 -0.484 2.698 -6.025 1.00 0.00 H new ATOM 0 HA THR A 54 -2.712 2.354 -7.726 1.00 0.00 H new ATOM 0 HB THR A 54 -3.004 4.859 -7.157 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.276 5.783 -6.365 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.535 4.339 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.053 3.020 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.569 2.848 -4.904 1.00 0.00 H new ATOM 840 N THR A 55 -2.101 3.244 -9.948 1.00 0.00 N ATOM 841 CA THR A 55 -1.757 3.748 -11.273 1.00 0.00 C ATOM 842 C THR A 55 -2.577 4.990 -11.606 1.00 0.00 C ATOM 843 O THR A 55 -2.606 5.437 -12.752 1.00 0.00 O ATOM 844 CB THR A 55 -2.015 2.666 -12.324 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.408 2.391 -12.384 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.257 1.393 -11.947 1.00 0.00 C ATOM 0 H THR A 55 -2.862 2.564 -9.936 1.00 0.00 H new ATOM 0 HA THR A 55 -0.700 4.015 -11.277 1.00 0.00 H new ATOM 0 HB THR A 55 -1.670 3.015 -13.297 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.576 1.699 -13.058 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.442 0.624 -12.697 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.189 1.606 -11.901 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.599 1.041 -10.974 1.00 0.00 H new ATOM 854 N GLN A 56 -3.242 5.542 -10.596 1.00 0.00 N ATOM 855 CA GLN A 56 -4.062 6.732 -10.795 1.00 0.00 C ATOM 856 C GLN A 56 -3.637 7.844 -9.841 1.00 0.00 C ATOM 857 O GLN A 56 -3.940 9.016 -10.066 1.00 0.00 O ATOM 858 CB GLN A 56 -5.536 6.395 -10.559 1.00 0.00 C ATOM 859 CG GLN A 56 -5.643 5.255 -9.544 1.00 0.00 C ATOM 860 CD GLN A 56 -5.303 3.927 -10.212 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.656 3.016 -9.538 1.00 0.00 O flip ATOM 862 NE2 GLN A 56 -5.635 3.716 -11.378 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.230 5.188 -9.639 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.925 7.076 -11.820 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.067 7.274 -10.192 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.009 6.106 -11.498 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.965 5.436 -8.710 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.652 5.217 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.141 4.431 -11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.405 2.827 -11.821 1.00 0.00 H new ATOM 871 N TYR A 57 -2.936 7.469 -8.777 1.00 0.00 N ATOM 872 CA TYR A 57 -2.462 8.447 -7.804 1.00 0.00 C ATOM 873 C TYR A 57 -1.006 8.177 -7.435 1.00 0.00 C ATOM 874 O TYR A 57 -0.588 7.026 -7.320 1.00 0.00 O ATOM 875 CB TYR A 57 -3.328 8.390 -6.545 1.00 0.00 C ATOM 876 CG TYR A 57 -4.731 7.972 -6.916 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.540 8.831 -7.670 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.223 6.727 -6.505 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.842 8.444 -8.013 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.524 6.341 -6.849 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.333 7.199 -7.603 1.00 0.00 C ATOM 882 OH TYR A 57 -8.615 6.818 -7.941 1.00 0.00 O ATOM 0 H TYR A 57 -2.685 6.503 -8.567 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.532 9.439 -8.250 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.904 7.684 -5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.345 9.365 -6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.160 9.791 -7.987 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.599 6.065 -5.923 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.467 9.106 -8.594 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.904 5.381 -6.532 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.797 5.926 -7.579 1.00 0.00 H new ATOM 892 N GLU A 58 -0.241 9.248 -7.249 1.00 0.00 N ATOM 893 CA GLU A 58 1.159 9.117 -6.866 1.00 0.00 C ATOM 894 C GLU A 58 1.301 9.143 -5.347 1.00 0.00 C ATOM 895 O GLU A 58 0.593 9.880 -4.661 1.00 0.00 O ATOM 896 CB GLU A 58 1.978 10.255 -7.477 1.00 0.00 C ATOM 897 CG GLU A 58 1.297 11.592 -7.177 1.00 0.00 C ATOM 898 CD GLU A 58 0.273 11.911 -8.261 1.00 0.00 C ATOM 899 OE1 GLU A 58 -0.267 10.977 -8.831 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.044 13.084 -8.505 1.00 0.00 O ATOM 0 H GLU A 58 -0.564 10.209 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 58 1.531 8.163 -7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.989 10.250 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.069 10.114 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.808 11.550 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.042 12.385 -7.125 1.00 0.00 H new ATOM 907 N MET A 59 2.220 8.335 -4.829 1.00 0.00 N ATOM 908 CA MET A 59 2.437 8.266 -3.389 1.00 0.00 C ATOM 909 C MET A 59 3.537 9.235 -2.963 1.00 0.00 C ATOM 910 O MET A 59 4.690 9.096 -3.369 1.00 0.00 O ATOM 911 CB MET A 59 2.826 6.842 -2.987 1.00 0.00 C ATOM 912 CG MET A 59 1.563 5.992 -2.834 1.00 0.00 C ATOM 913 SD MET A 59 0.416 6.366 -4.183 1.00 0.00 S ATOM 914 CE MET A 59 -1.049 5.588 -3.459 1.00 0.00 C ATOM 0 H MET A 59 2.822 7.723 -5.380 1.00 0.00 H new ATOM 0 HA MET A 59 1.510 8.545 -2.888 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.481 6.406 -3.741 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.383 6.857 -2.050 1.00 0.00 H new ATOM 0 HG2 MET A 59 1.821 4.933 -2.845 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.090 6.195 -1.873 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.946 6.002 -3.920 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.014 4.513 -3.634 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.070 5.780 -2.386 1.00 0.00 H new ATOM 924 N HIS A 60 3.170 10.212 -2.140 1.00 0.00 N ATOM 925 CA HIS A 60 4.136 11.191 -1.653 1.00 0.00 C ATOM 926 C HIS A 60 4.679 10.770 -0.291 1.00 0.00 C ATOM 927 O HIS A 60 3.914 10.476 0.628 1.00 0.00 O ATOM 928 CB HIS A 60 3.477 12.566 -1.540 1.00 0.00 C ATOM 929 CG HIS A 60 3.306 13.156 -2.914 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.964 14.310 -3.309 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.557 12.761 -3.995 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.601 14.567 -4.580 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.745 13.655 -5.045 1.00 0.00 N ATOM 0 H HIS A 60 2.218 10.347 -1.798 1.00 0.00 H new ATOM 0 HA HIS A 60 4.962 11.244 -2.362 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.509 12.477 -1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.089 13.225 -0.924 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.606 14.863 -2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.919 11.890 -4.026 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.959 15.409 -5.154 1.00 0.00 H new ATOM 942 N VAL A 61 6.002 10.738 -0.169 1.00 0.00 N ATOM 943 CA VAL A 61 6.631 10.332 1.082 1.00 0.00 C ATOM 944 C VAL A 61 7.118 11.550 1.862 1.00 0.00 C ATOM 945 O VAL A 61 7.808 12.413 1.319 1.00 0.00 O ATOM 946 CB VAL A 61 7.812 9.404 0.794 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.602 9.165 2.082 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.288 8.067 0.265 1.00 0.00 C ATOM 0 H VAL A 61 6.654 10.986 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 61 5.890 9.805 1.683 1.00 0.00 H new ATOM 0 HB VAL A 61 8.462 9.864 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.443 8.503 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.973 10.116 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.953 8.705 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.128 7.403 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.639 7.610 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.724 8.235 -0.653 1.00 0.00 H new ATOM 958 N LEU A 62 6.755 11.610 3.140 1.00 0.00 N ATOM 959 CA LEU A 62 7.177 12.712 3.996 1.00 0.00 C ATOM 960 C LEU A 62 7.443 12.212 5.413 1.00 0.00 C ATOM 961 O LEU A 62 6.537 12.164 6.244 1.00 0.00 O ATOM 962 CB LEU A 62 6.097 13.794 4.028 1.00 0.00 C ATOM 963 CG LEU A 62 6.591 14.985 4.851 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.678 15.728 4.073 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.421 15.935 5.125 1.00 0.00 C ATOM 0 H LEU A 62 6.173 10.912 3.603 1.00 0.00 H new ATOM 0 HA LEU A 62 8.097 13.133 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.858 14.114 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.180 13.395 4.461 1.00 0.00 H new ATOM 0 HG LEU A 62 7.000 14.628 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.030 16.577 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.511 15.053 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.269 16.085 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.772 16.784 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.012 16.291 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.645 15.407 5.679 1.00 0.00 H new ATOM 977 N VAL A 63 8.690 11.836 5.678 1.00 0.00 N ATOM 978 CA VAL A 63 9.058 11.323 6.992 1.00 0.00 C ATOM 979 C VAL A 63 10.027 12.270 7.692 1.00 0.00 C ATOM 980 O VAL A 63 10.987 12.749 7.088 1.00 0.00 O ATOM 981 CB VAL A 63 9.705 9.944 6.849 1.00 0.00 C ATOM 982 CG1 VAL A 63 9.989 9.366 8.236 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.754 9.013 6.093 1.00 0.00 C ATOM 0 H VAL A 63 9.457 11.876 5.006 1.00 0.00 H new ATOM 0 HA VAL A 63 8.153 11.243 7.594 1.00 0.00 H new ATOM 0 HB VAL A 63 10.640 10.036 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.450 8.384 8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.665 10.029 8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.055 9.272 8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.213 8.030 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.819 8.921 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.552 9.424 5.104 1.00 0.00 H new ATOM 993 N THR A 64 9.770 12.532 8.969 1.00 0.00 N ATOM 994 CA THR A 64 10.632 13.414 9.748 1.00 0.00 C ATOM 995 C THR A 64 11.373 12.621 10.820 1.00 0.00 C ATOM 996 O THR A 64 10.786 11.775 11.494 1.00 0.00 O ATOM 997 CB THR A 64 9.798 14.515 10.407 1.00 0.00 C ATOM 998 OG1 THR A 64 9.093 15.236 9.406 1.00 0.00 O ATOM 999 CG2 THR A 64 10.718 15.466 11.172 1.00 0.00 C ATOM 0 H THR A 64 8.977 12.149 9.484 1.00 0.00 H new ATOM 0 HA THR A 64 11.361 13.868 9.076 1.00 0.00 H new ATOM 0 HB THR A 64 9.087 14.067 11.101 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.557 15.940 9.827 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.123 16.250 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.257 14.911 11.940 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.431 15.916 10.482 1.00 0.00 H new ATOM 1007 N PHE A 65 12.665 12.896 10.969 1.00 0.00 N ATOM 1008 CA PHE A 65 13.472 12.200 11.964 1.00 0.00 C ATOM 1009 C PHE A 65 14.062 13.186 12.968 1.00 0.00 C ATOM 1010 O PHE A 65 14.056 14.396 12.741 1.00 0.00 O ATOM 1011 CB PHE A 65 14.601 11.433 11.272 1.00 0.00 C ATOM 1012 CG PHE A 65 14.131 10.964 9.917 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.241 11.809 8.806 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.587 9.682 9.770 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.806 11.374 7.549 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.151 9.247 8.512 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.261 10.093 7.402 1.00 0.00 C ATOM 0 H PHE A 65 13.172 13.589 10.419 1.00 0.00 H new ATOM 0 HA PHE A 65 12.830 11.501 12.500 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.477 12.072 11.164 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.902 10.580 11.880 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.662 12.797 8.919 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.504 9.029 10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.891 12.026 6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.730 8.259 8.398 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.925 9.757 6.432 1.00 0.00 H new ATOM 1027 N ASN A 66 14.569 12.657 14.077 1.00 0.00 N ATOM 1028 CA ASN A 66 15.172 13.497 15.106 1.00 0.00 C ATOM 1029 C ASN A 66 16.613 13.838 14.743 1.00 0.00 C ATOM 1030 O ASN A 66 17.256 13.125 13.973 1.00 0.00 O ATOM 1031 CB ASN A 66 15.142 12.773 16.454 1.00 0.00 C ATOM 1032 CG ASN A 66 15.413 13.761 17.583 1.00 0.00 C ATOM 1033 OD1 ASN A 66 16.542 13.699 18.235 1.00 0.00 O flip ATOM 1034 ND2 ASN A 66 14.574 14.611 17.881 1.00 0.00 N flip ATOM 0 H ASN A 66 14.575 11.659 14.285 1.00 0.00 H new ATOM 0 HA ASN A 66 14.598 14.421 15.176 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.171 12.299 16.600 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.889 11.980 16.467 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.692 14.658 17.370 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.761 15.268 18.638 1.00 0.00 H new ATOM 1041 N GLU A 67 17.115 14.933 15.305 1.00 0.00 N ATOM 1042 CA GLU A 67 18.483 15.362 15.032 1.00 0.00 C ATOM 1043 C GLU A 67 19.452 14.199 15.220 1.00 0.00 C ATOM 1044 O GLU A 67 20.297 13.939 14.363 1.00 0.00 O ATOM 1045 CB GLU A 67 18.868 16.507 15.970 1.00 0.00 C ATOM 1046 CG GLU A 67 20.384 16.712 15.931 1.00 0.00 C ATOM 1047 CD GLU A 67 20.737 18.089 16.482 1.00 0.00 C ATOM 1048 OE1 GLU A 67 19.845 18.752 16.983 1.00 0.00 O ATOM 1049 OE2 GLU A 67 21.896 18.460 16.394 1.00 0.00 O ATOM 0 H GLU A 67 16.600 15.536 15.947 1.00 0.00 H new ATOM 0 HA GLU A 67 18.539 15.706 13.999 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.359 17.423 15.671 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.547 16.282 16.987 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.879 15.938 16.518 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.746 16.617 14.907 1.00 0.00 H new ATOM 1056 N ASP A 68 19.325 13.506 16.346 1.00 0.00 N ATOM 1057 CA ASP A 68 20.198 12.375 16.638 1.00 0.00 C ATOM 1058 C ASP A 68 19.741 11.134 15.878 1.00 0.00 C ATOM 1059 O ASP A 68 19.114 10.242 16.448 1.00 0.00 O ATOM 1060 CB ASP A 68 20.193 12.086 18.141 1.00 0.00 C ATOM 1061 CG ASP A 68 18.770 11.807 18.613 1.00 0.00 C ATOM 1062 OD1 ASP A 68 17.889 11.741 17.772 1.00 0.00 O ATOM 1063 OD2 ASP A 68 18.582 11.663 19.811 1.00 0.00 O ATOM 0 H ASP A 68 18.631 13.705 17.067 1.00 0.00 H new ATOM 0 HA ASP A 68 21.209 12.629 16.320 1.00 0.00 H new ATOM 0 HB2 ASP A 68 20.831 11.229 18.357 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.605 12.936 18.685 1.00 0.00 H new ATOM 1068 N CYS A 69 20.060 11.085 14.588 1.00 0.00 N ATOM 1069 CA CYS A 69 19.688 9.942 13.764 1.00 0.00 C ATOM 1070 C CYS A 69 20.653 9.787 12.594 1.00 0.00 C ATOM 1071 O CYS A 69 20.736 10.656 11.726 1.00 0.00 O ATOM 1072 CB CYS A 69 18.264 10.122 13.232 1.00 0.00 C ATOM 1073 SG CYS A 69 17.152 10.512 14.606 1.00 0.00 S ATOM 0 H CYS A 69 20.571 11.817 14.095 1.00 0.00 H new ATOM 0 HA CYS A 69 19.735 9.044 14.380 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.239 10.922 12.492 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.934 9.212 12.730 1.00 0.00 H new ATOM 0 HG CYS A 69 17.599 9.961 15.696 1.00 0.00 H new ATOM 1079 N ASP A 70 21.381 8.675 12.577 1.00 0.00 N ATOM 1080 CA ASP A 70 22.338 8.416 11.507 1.00 0.00 C ATOM 1081 C ASP A 70 21.614 7.987 10.236 1.00 0.00 C ATOM 1082 O ASP A 70 21.529 6.798 9.929 1.00 0.00 O ATOM 1083 CB ASP A 70 23.317 7.320 11.936 1.00 0.00 C ATOM 1084 CG ASP A 70 24.377 7.902 12.865 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.323 9.094 13.121 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.225 7.147 13.309 1.00 0.00 O ATOM 0 H ASP A 70 21.328 7.944 13.286 1.00 0.00 H new ATOM 0 HA ASP A 70 22.889 9.335 11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.779 6.518 12.442 1.00 0.00 H new ATOM 0 HB3 ASP A 70 23.792 6.881 11.058 1.00 0.00 H new ATOM 1091 N ILE A 71 21.092 8.963 9.501 1.00 0.00 N ATOM 1092 CA ILE A 71 20.365 8.676 8.269 1.00 0.00 C ATOM 1093 C ILE A 71 20.973 9.441 7.097 1.00 0.00 C ATOM 1094 O ILE A 71 21.636 10.460 7.285 1.00 0.00 O ATOM 1095 CB ILE A 71 18.895 9.067 8.430 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.798 10.560 8.750 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.275 8.260 9.573 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.330 10.946 8.945 1.00 0.00 C ATOM 0 H ILE A 71 21.158 9.954 9.734 1.00 0.00 H new ATOM 0 HA ILE A 71 20.437 7.608 8.066 1.00 0.00 H new ATOM 0 HB ILE A 71 18.359 8.857 7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.368 10.787 9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.235 11.145 7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.227 8.538 9.688 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.345 7.196 9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.810 8.470 10.499 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.261 12.010 9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.774 10.734 8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.909 10.370 9.769 1.00 0.00 H new ATOM 1110 N LYS A 72 20.742 8.940 5.888 1.00 0.00 N ATOM 1111 CA LYS A 72 21.273 9.585 4.691 1.00 0.00 C ATOM 1112 C LYS A 72 20.185 9.729 3.631 1.00 0.00 C ATOM 1113 O LYS A 72 19.148 9.069 3.696 1.00 0.00 O ATOM 1114 CB LYS A 72 22.431 8.760 4.126 1.00 0.00 C ATOM 1115 CG LYS A 72 23.393 9.681 3.373 1.00 0.00 C ATOM 1116 CD LYS A 72 24.222 8.856 2.387 1.00 0.00 C ATOM 1117 CE LYS A 72 24.831 7.654 3.109 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.995 7.143 2.329 1.00 0.00 N ATOM 0 H LYS A 72 20.196 8.097 5.711 1.00 0.00 H new ATOM 0 HA LYS A 72 21.631 10.578 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.956 8.250 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.050 7.989 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.834 10.451 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 72 24.049 10.193 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.594 8.518 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 72 25.011 9.472 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 72 25.149 7.941 4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.084 6.869 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.410 6.325 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 25.678 6.854 1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 26.710 7.893 2.241 1.00 0.00 H new ATOM 1132 N ALA A 73 20.431 10.597 2.654 1.00 0.00 N ATOM 1133 CA ALA A 73 19.467 10.819 1.583 1.00 0.00 C ATOM 1134 C ALA A 73 19.886 10.068 0.322 1.00 0.00 C ATOM 1135 O ALA A 73 21.058 10.071 -0.052 1.00 0.00 O ATOM 1136 CB ALA A 73 19.360 12.315 1.277 1.00 0.00 C ATOM 0 H ALA A 73 21.283 11.154 2.582 1.00 0.00 H new ATOM 0 HA ALA A 73 18.496 10.446 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.638 12.472 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.032 12.847 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.334 12.693 0.967 1.00 0.00 H new ATOM 1142 N LEU A 74 18.920 9.427 -0.328 1.00 0.00 N ATOM 1143 CA LEU A 74 19.201 8.673 -1.543 1.00 0.00 C ATOM 1144 C LEU A 74 18.558 9.345 -2.753 1.00 0.00 C ATOM 1145 O LEU A 74 17.795 10.300 -2.610 1.00 0.00 O ATOM 1146 CB LEU A 74 18.671 7.245 -1.407 1.00 0.00 C ATOM 1147 CG LEU A 74 19.077 6.679 -0.046 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.428 5.308 0.154 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.600 6.534 0.011 1.00 0.00 C ATOM 0 H LEU A 74 17.943 9.415 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 74 20.281 8.646 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.586 7.237 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.069 6.620 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 74 18.744 7.356 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.719 4.906 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.343 5.409 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.759 4.630 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.891 6.131 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.931 5.858 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.064 7.510 -0.130 1.00 0.00 H new ATOM 1161 N GLY A 75 18.872 8.841 -3.941 1.00 0.00 N ATOM 1162 CA GLY A 75 18.308 9.393 -5.168 1.00 0.00 C ATOM 1163 C GLY A 75 18.269 10.916 -5.111 1.00 0.00 C ATOM 1164 O GLY A 75 19.219 11.555 -4.658 1.00 0.00 O ATOM 0 H GLY A 75 19.509 8.057 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.903 9.072 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.300 9.005 -5.317 1.00 0.00 H new ATOM 1168 N LYS A 76 17.165 11.492 -5.574 1.00 0.00 N ATOM 1169 CA LYS A 76 17.014 12.943 -5.573 1.00 0.00 C ATOM 1170 C LYS A 76 16.362 13.411 -4.276 1.00 0.00 C ATOM 1171 O LYS A 76 16.147 14.606 -4.074 1.00 0.00 O ATOM 1172 CB LYS A 76 16.159 13.381 -6.764 1.00 0.00 C ATOM 1173 CG LYS A 76 14.819 12.643 -6.728 1.00 0.00 C ATOM 1174 CD LYS A 76 13.758 13.478 -7.449 1.00 0.00 C ATOM 1175 CE LYS A 76 13.186 14.520 -6.486 1.00 0.00 C ATOM 1176 NZ LYS A 76 12.042 13.929 -5.737 1.00 0.00 N ATOM 0 H LYS A 76 16.367 10.981 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 76 18.004 13.393 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.994 14.458 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.679 13.167 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.916 11.668 -7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.517 12.465 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.196 13.971 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.961 12.832 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.958 14.851 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.857 15.400 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.163 14.416 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.962 12.918 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.202 14.040 -4.715 1.00 0.00 H new ATOM 1190 N THR A 77 16.050 12.461 -3.401 1.00 0.00 N ATOM 1191 CA THR A 77 15.407 12.785 -2.133 1.00 0.00 C ATOM 1192 C THR A 77 16.086 13.985 -1.480 1.00 0.00 C ATOM 1193 O THR A 77 17.284 13.959 -1.204 1.00 0.00 O ATOM 1194 CB THR A 77 15.475 11.582 -1.189 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.884 10.455 -1.820 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.721 11.902 0.103 1.00 0.00 C ATOM 0 H THR A 77 16.230 11.467 -3.545 1.00 0.00 H new ATOM 0 HA THR A 77 14.364 13.033 -2.329 1.00 0.00 H new ATOM 0 HB THR A 77 16.516 11.362 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.575 9.945 -2.293 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.770 11.045 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.176 12.767 0.585 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.679 12.122 -0.129 1.00 0.00 H new ATOM 1204 N LYS A 78 15.310 15.038 -1.237 1.00 0.00 N ATOM 1205 CA LYS A 78 15.849 16.243 -0.618 1.00 0.00 C ATOM 1206 C LYS A 78 15.935 16.075 0.896 1.00 0.00 C ATOM 1207 O LYS A 78 14.954 15.714 1.546 1.00 0.00 O ATOM 1208 CB LYS A 78 14.960 17.443 -0.951 1.00 0.00 C ATOM 1209 CG LYS A 78 15.640 18.729 -0.476 1.00 0.00 C ATOM 1210 CD LYS A 78 14.727 19.924 -0.760 1.00 0.00 C ATOM 1211 CE LYS A 78 15.468 21.221 -0.431 1.00 0.00 C ATOM 1212 NZ LYS A 78 16.715 21.300 -1.244 1.00 0.00 N ATOM 0 H LYS A 78 14.315 15.081 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 78 16.851 16.414 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.781 17.489 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.988 17.334 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.854 18.667 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.595 18.858 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.422 19.922 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.818 19.851 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.830 22.080 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.711 21.255 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.001 22.295 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.473 20.769 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.543 20.891 -2.185 1.00 0.00 H new ATOM 1226 N LEU A 79 17.114 16.338 1.448 1.00 0.00 N ATOM 1227 CA LEU A 79 17.317 16.211 2.887 1.00 0.00 C ATOM 1228 C LEU A 79 17.858 17.514 3.469 1.00 0.00 C ATOM 1229 O LEU A 79 18.819 18.084 2.952 1.00 0.00 O ATOM 1230 CB LEU A 79 18.298 15.074 3.178 1.00 0.00 C ATOM 1231 CG LEU A 79 18.584 15.020 4.679 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.271 14.840 5.444 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.511 13.839 4.977 1.00 0.00 C ATOM 0 H LEU A 79 17.938 16.638 0.927 1.00 0.00 H new ATOM 0 HA LEU A 79 16.356 15.990 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.881 14.125 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.225 15.229 2.626 1.00 0.00 H new ATOM 0 HG LEU A 79 19.062 15.949 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.476 14.802 6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.608 15.679 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.793 13.911 5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.716 13.799 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.031 12.912 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.447 13.965 4.432 1.00 0.00 H new ATOM 1245 N GLU A 80 17.234 17.978 4.546 1.00 0.00 N ATOM 1246 CA GLU A 80 17.660 19.216 5.189 1.00 0.00 C ATOM 1247 C GLU A 80 17.307 19.198 6.673 1.00 0.00 C ATOM 1248 O GLU A 80 16.410 18.469 7.098 1.00 0.00 O ATOM 1249 CB GLU A 80 16.985 20.413 4.517 1.00 0.00 C ATOM 1250 CG GLU A 80 15.476 20.172 4.439 1.00 0.00 C ATOM 1251 CD GLU A 80 14.800 21.328 3.710 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.482 22.296 3.416 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.611 21.228 3.456 1.00 0.00 O ATOM 0 H GLU A 80 16.438 17.520 4.990 1.00 0.00 H new ATOM 0 HA GLU A 80 18.742 19.303 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.190 21.323 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.393 20.559 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.275 19.236 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.063 20.073 5.443 1.00 0.00 H new ATOM 1260 N GLN A 81 18.019 20.002 7.456 1.00 0.00 N ATOM 1261 CA GLN A 81 17.773 20.067 8.892 1.00 0.00 C ATOM 1262 C GLN A 81 17.112 21.391 9.262 1.00 0.00 C ATOM 1263 O GLN A 81 17.315 22.406 8.595 1.00 0.00 O ATOM 1264 CB GLN A 81 19.092 19.920 9.654 1.00 0.00 C ATOM 1265 CG GLN A 81 18.804 19.803 11.152 1.00 0.00 C ATOM 1266 CD GLN A 81 20.106 19.589 11.917 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.157 19.387 11.309 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.098 19.621 13.222 1.00 0.00 N ATOM 0 H GLN A 81 18.765 20.613 7.124 1.00 0.00 H new ATOM 0 HA GLN A 81 17.103 19.252 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.629 19.038 9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.733 20.780 9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.308 20.706 11.507 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.123 18.972 11.336 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.225 19.789 13.723 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.964 19.478 13.741 1.00 0.00 H new ATOM 1277 N GLN A 82 16.322 21.373 10.331 1.00 0.00 N ATOM 1278 CA GLN A 82 15.634 22.577 10.780 1.00 0.00 C ATOM 1279 C GLN A 82 16.312 23.150 12.021 1.00 0.00 C ATOM 1280 O GLN A 82 17.145 22.492 12.645 1.00 0.00 O ATOM 1281 CB GLN A 82 14.172 22.255 11.099 1.00 0.00 C ATOM 1282 CG GLN A 82 13.679 21.147 10.166 1.00 0.00 C ATOM 1283 CD GLN A 82 13.943 21.533 8.714 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.504 20.670 7.912 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 13.629 22.649 8.300 1.00 0.00 N flip ATOM 0 H GLN A 82 16.144 20.544 10.898 1.00 0.00 H new ATOM 0 HA GLN A 82 15.677 23.317 9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.076 21.940 12.138 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.557 23.147 10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.186 20.211 10.400 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.613 20.979 10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.191 23.322 8.929 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.807 22.901 7.328 1.00 0.00 H new ATOM 1294 N GLU A 83 15.951 24.380 12.372 1.00 0.00 N ATOM 1295 CA GLU A 83 16.532 25.030 13.541 1.00 0.00 C ATOM 1296 C GLU A 83 16.182 24.263 14.812 1.00 0.00 C ATOM 1297 O GLU A 83 16.991 24.168 15.734 1.00 0.00 O ATOM 1298 CB GLU A 83 16.014 26.466 13.650 1.00 0.00 C ATOM 1299 CG GLU A 83 16.807 27.215 14.724 1.00 0.00 C ATOM 1300 CD GLU A 83 18.238 27.443 14.249 1.00 0.00 C ATOM 1301 OE1 GLU A 83 18.447 27.462 13.047 1.00 0.00 O ATOM 1302 OE2 GLU A 83 19.104 27.597 15.094 1.00 0.00 O ATOM 0 H GLU A 83 15.265 24.943 11.869 1.00 0.00 H new ATOM 0 HA GLU A 83 17.616 25.042 13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.113 26.973 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.953 26.463 13.902 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.330 28.171 14.940 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.809 26.643 15.652 1.00 0.00 H new ATOM 1309 N ASN A 84 14.971 23.716 14.851 1.00 0.00 N ATOM 1310 CA ASN A 84 14.522 22.959 16.014 1.00 0.00 C ATOM 1311 C ASN A 84 15.410 21.740 16.235 1.00 0.00 C ATOM 1312 O ASN A 84 15.523 21.238 17.354 1.00 0.00 O ATOM 1313 CB ASN A 84 13.074 22.508 15.816 1.00 0.00 C ATOM 1314 CG ASN A 84 12.924 21.818 14.464 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.700 20.813 14.166 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.077 22.204 13.659 1.00 0.00 N flip ATOM 0 H ASN A 84 14.288 23.782 14.097 1.00 0.00 H new ATOM 0 HA ASN A 84 14.585 23.604 16.890 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.784 21.827 16.616 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.406 23.367 15.871 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.471 22.990 13.894 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.981 21.738 12.757 1.00 0.00 H new ATOM 1323 N GLY A 85 16.037 21.268 15.164 1.00 0.00 N ATOM 1324 CA GLY A 85 16.922 20.113 15.256 1.00 0.00 C ATOM 1325 C GLY A 85 16.206 18.843 14.806 1.00 0.00 C ATOM 1326 O GLY A 85 16.079 17.887 15.571 1.00 0.00 O ATOM 0 H GLY A 85 15.950 21.664 14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.805 20.276 14.638 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.269 19.996 16.283 1.00 0.00 H new ATOM 1330 N GLU A 86 15.739 18.843 13.563 1.00 0.00 N ATOM 1331 CA GLU A 86 15.053 17.678 13.015 1.00 0.00 C ATOM 1332 C GLU A 86 15.407 17.489 11.543 1.00 0.00 C ATOM 1333 O GLU A 86 15.647 18.459 10.824 1.00 0.00 O ATOM 1334 CB GLU A 86 13.539 17.848 13.158 1.00 0.00 C ATOM 1335 CG GLU A 86 13.160 17.822 14.640 1.00 0.00 C ATOM 1336 CD GLU A 86 11.646 17.942 14.792 1.00 0.00 C ATOM 1337 OE1 GLU A 86 10.991 18.213 13.799 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.165 17.761 15.898 1.00 0.00 O ATOM 0 H GLU A 86 15.822 19.630 12.919 1.00 0.00 H new ATOM 0 HA GLU A 86 15.375 16.797 13.571 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.224 18.789 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.021 17.051 12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.508 16.895 15.097 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.653 18.641 15.165 1.00 0.00 H new ATOM 1345 N TRP A 87 15.436 16.235 11.103 1.00 0.00 N ATOM 1346 CA TRP A 87 15.759 15.931 9.714 1.00 0.00 C ATOM 1347 C TRP A 87 14.490 15.608 8.929 1.00 0.00 C ATOM 1348 O TRP A 87 13.614 14.893 9.415 1.00 0.00 O ATOM 1349 CB TRP A 87 16.719 14.741 9.646 1.00 0.00 C ATOM 1350 CG TRP A 87 18.081 15.175 10.083 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.624 14.924 11.297 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.079 15.931 9.337 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.890 15.479 11.343 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.216 16.108 10.160 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.108 16.473 8.040 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.342 16.801 9.711 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.239 17.169 7.585 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.354 17.333 8.418 1.00 0.00 C ATOM 0 H TRP A 87 15.241 15.419 11.683 1.00 0.00 H new ATOM 0 HA TRP A 87 16.236 16.806 9.272 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.360 13.934 10.285 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.759 14.350 8.629 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.147 14.380 12.098 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.507 15.429 12.153 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.254 16.353 7.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.198 16.925 10.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.250 17.581 6.587 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.221 17.869 8.062 1.00 0.00 H new ATOM 1369 N VAL A 88 14.400 16.139 7.714 1.00 0.00 N ATOM 1370 CA VAL A 88 13.227 15.910 6.878 1.00 0.00 C ATOM 1371 C VAL A 88 13.640 15.377 5.509 1.00 0.00 C ATOM 1372 O VAL A 88 14.569 15.894 4.886 1.00 0.00 O ATOM 1373 CB VAL A 88 12.445 17.212 6.707 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.287 16.989 5.732 1.00 0.00 C ATOM 1375 CG2 VAL A 88 11.890 17.654 8.063 1.00 0.00 C ATOM 0 H VAL A 88 15.118 16.726 7.289 1.00 0.00 H new ATOM 0 HA VAL A 88 12.595 15.169 7.367 1.00 0.00 H new ATOM 0 HB VAL A 88 13.107 17.984 6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.730 17.918 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.681 16.673 4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.625 16.217 6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.332 18.583 7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.228 16.881 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.714 17.813 8.759 1.00 0.00 H new ATOM 1385 N ALA A 89 12.945 14.344 5.047 1.00 0.00 N ATOM 1386 CA ALA A 89 13.241 13.756 3.745 1.00 0.00 C ATOM 1387 C ALA A 89 11.952 13.478 2.979 1.00 0.00 C ATOM 1388 O ALA A 89 11.150 12.635 3.380 1.00 0.00 O ATOM 1389 CB ALA A 89 14.021 12.451 3.926 1.00 0.00 C ATOM 0 H ALA A 89 12.178 13.898 5.550 1.00 0.00 H new ATOM 0 HA ALA A 89 13.844 14.463 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.238 12.018 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.956 12.655 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.425 11.749 4.510 1.00 0.00 H new ATOM 1395 N SER A 90 11.759 14.193 1.875 1.00 0.00 N ATOM 1396 CA SER A 90 10.554 14.028 1.071 1.00 0.00 C ATOM 1397 C SER A 90 10.913 13.692 -0.372 1.00 0.00 C ATOM 1398 O SER A 90 11.901 14.194 -0.910 1.00 0.00 O ATOM 1399 CB SER A 90 9.724 15.310 1.106 1.00 0.00 C ATOM 1400 OG SER A 90 10.403 16.329 0.383 1.00 0.00 O ATOM 0 H SER A 90 12.416 14.887 1.519 1.00 0.00 H new ATOM 0 HA SER A 90 9.972 13.207 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.741 15.132 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.563 15.625 2.137 1.00 0.00 H new ATOM 0 HG SER A 90 9.872 17.153 0.402 1.00 0.00 H new ATOM 1406 N VAL A 91 10.105 12.841 -0.995 1.00 0.00 N ATOM 1407 CA VAL A 91 10.335 12.457 -2.382 1.00 0.00 C ATOM 1408 C VAL A 91 9.070 11.860 -2.989 1.00 0.00 C ATOM 1409 O VAL A 91 8.351 11.106 -2.332 1.00 0.00 O ATOM 1410 CB VAL A 91 11.471 11.435 -2.459 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.983 10.088 -1.926 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.914 11.275 -3.916 1.00 0.00 C ATOM 0 H VAL A 91 9.289 12.406 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 91 10.609 13.349 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 91 12.312 11.781 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.792 9.360 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.666 10.200 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.142 9.742 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.723 10.547 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.072 10.929 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.262 12.235 -4.298 1.00 0.00 H new ATOM 1422 N VAL A 92 8.801 12.205 -4.244 1.00 0.00 N ATOM 1423 CA VAL A 92 7.611 11.708 -4.924 1.00 0.00 C ATOM 1424 C VAL A 92 7.935 10.454 -5.729 1.00 0.00 C ATOM 1425 O VAL A 92 8.980 10.371 -6.374 1.00 0.00 O ATOM 1426 CB VAL A 92 7.056 12.785 -5.857 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.795 12.262 -6.549 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.709 14.034 -5.043 1.00 0.00 C ATOM 0 H VAL A 92 9.386 12.822 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 92 6.864 11.458 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 92 7.805 13.036 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.400 13.030 -7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.040 11.372 -7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.045 12.011 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.313 14.803 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.960 13.782 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.606 14.408 -4.550 1.00 0.00 H new ATOM 1438 N VAL A 93 7.031 9.480 -5.686 1.00 0.00 N ATOM 1439 CA VAL A 93 7.231 8.231 -6.412 1.00 0.00 C ATOM 1440 C VAL A 93 6.127 8.034 -7.446 1.00 0.00 C ATOM 1441 O VAL A 93 4.944 8.195 -7.143 1.00 0.00 O ATOM 1442 CB VAL A 93 7.237 7.054 -5.438 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.506 5.757 -6.204 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.335 7.263 -4.393 1.00 0.00 C ATOM 0 H VAL A 93 6.159 9.531 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 93 8.192 8.279 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 93 6.268 6.989 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.510 4.918 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.725 5.606 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.474 5.822 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.340 6.424 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.303 7.328 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.145 8.186 -3.846 1.00 0.00 H new ATOM 1454 N TYR A 94 6.519 7.681 -8.666 1.00 0.00 N ATOM 1455 CA TYR A 94 5.551 7.466 -9.735 1.00 0.00 C ATOM 1456 C TYR A 94 5.163 5.993 -9.816 1.00 0.00 C ATOM 1457 O TYR A 94 5.938 5.114 -9.440 1.00 0.00 O ATOM 1458 CB TYR A 94 6.142 7.917 -11.072 1.00 0.00 C ATOM 1459 CG TYR A 94 6.329 9.415 -11.059 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.217 10.259 -10.959 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.615 9.960 -11.143 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.390 11.648 -10.946 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.789 11.350 -11.131 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.677 12.193 -11.032 1.00 0.00 C ATOM 1465 OH TYR A 94 6.848 13.562 -11.021 1.00 0.00 O ATOM 0 H TYR A 94 7.492 7.539 -8.937 1.00 0.00 H new ATOM 0 HA TYR A 94 4.659 8.053 -9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 94 7.098 7.422 -11.245 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.481 7.629 -11.890 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.225 9.838 -10.892 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.474 9.309 -11.217 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.532 12.299 -10.870 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.781 11.771 -11.198 1.00 0.00 H new ATOM 0 HH TYR A 94 7.803 13.773 -11.087 1.00 0.00 H new ATOM 1475 N PRO A 95 3.981 5.717 -10.296 1.00 0.00 N ATOM 1476 CA PRO A 95 3.465 4.321 -10.414 1.00 0.00 C ATOM 1477 C PRO A 95 4.337 3.462 -11.325 1.00 0.00 C ATOM 1478 O PRO A 95 4.974 3.967 -12.249 1.00 0.00 O ATOM 1479 CB PRO A 95 2.060 4.493 -11.003 1.00 0.00 C ATOM 1480 CG PRO A 95 2.035 5.861 -11.601 1.00 0.00 C ATOM 1481 CD PRO A 95 2.998 6.717 -10.780 1.00 0.00 C ATOM 0 HA PRO A 95 3.464 3.805 -9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.856 3.733 -11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.297 4.389 -10.231 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.339 5.832 -12.647 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.028 6.277 -11.574 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.470 7.491 -11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.492 7.221 -9.956 1.00 0.00 H new ATOM 1489 N CYS A 96 4.359 2.161 -11.056 1.00 0.00 N ATOM 1490 CA CYS A 96 5.154 1.239 -11.858 1.00 0.00 C ATOM 1491 C CYS A 96 6.630 1.617 -11.801 1.00 0.00 C ATOM 1492 O CYS A 96 7.374 1.403 -12.757 1.00 0.00 O ATOM 1493 CB CYS A 96 4.674 1.263 -13.312 1.00 0.00 C ATOM 1494 SG CYS A 96 5.340 -0.173 -14.190 1.00 0.00 S ATOM 0 H CYS A 96 3.840 1.724 -10.295 1.00 0.00 H new ATOM 0 HA CYS A 96 5.032 0.235 -11.452 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.585 1.251 -13.347 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.999 2.183 -13.798 1.00 0.00 H new ATOM 0 HG CYS A 96 6.627 -0.231 -14.014 1.00 0.00 H new ATOM 1500 N GLU A 97 7.046 2.181 -10.671 1.00 0.00 N ATOM 1501 CA GLU A 97 8.437 2.585 -10.496 1.00 0.00 C ATOM 1502 C GLU A 97 8.839 2.501 -9.027 1.00 0.00 C ATOM 1503 O GLU A 97 7.992 2.568 -8.137 1.00 0.00 O ATOM 1504 CB GLU A 97 8.631 4.017 -10.999 1.00 0.00 C ATOM 1505 CG GLU A 97 10.117 4.266 -11.265 1.00 0.00 C ATOM 1506 CD GLU A 97 10.575 3.451 -12.469 1.00 0.00 C ATOM 1507 OE1 GLU A 97 9.730 3.086 -13.269 1.00 0.00 O ATOM 1508 OE2 GLU A 97 11.766 3.203 -12.573 1.00 0.00 O ATOM 0 H GLU A 97 6.445 2.368 -9.868 1.00 0.00 H new ATOM 0 HA GLU A 97 9.068 1.908 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.056 4.175 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.259 4.727 -10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.290 5.327 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.703 3.994 -10.387 1.00 0.00 H new ATOM 1515 N THR A 98 10.137 2.353 -8.781 1.00 0.00 N ATOM 1516 CA THR A 98 10.641 2.267 -7.415 1.00 0.00 C ATOM 1517 C THR A 98 11.880 3.139 -7.246 1.00 0.00 C ATOM 1518 O THR A 98 12.908 2.901 -7.881 1.00 0.00 O ATOM 1519 CB THR A 98 10.985 0.815 -7.074 1.00 0.00 C ATOM 1520 OG1 THR A 98 10.040 -0.050 -7.689 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.946 0.621 -5.558 1.00 0.00 C ATOM 0 H THR A 98 10.854 2.291 -9.504 1.00 0.00 H new ATOM 0 HA THR A 98 9.864 2.624 -6.738 1.00 0.00 H new ATOM 0 HB THR A 98 11.985 0.582 -7.441 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.357 -0.298 -8.583 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.191 -0.413 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.671 1.285 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.948 0.853 -5.187 1.00 0.00 H new ATOM 1529 N GLU A 99 11.777 4.148 -6.388 1.00 0.00 N ATOM 1530 CA GLU A 99 12.888 5.067 -6.168 1.00 0.00 C ATOM 1531 C GLU A 99 13.485 4.863 -4.779 1.00 0.00 C ATOM 1532 O GLU A 99 12.879 4.223 -3.919 1.00 0.00 O ATOM 1533 CB GLU A 99 12.407 6.511 -6.312 1.00 0.00 C ATOM 1534 CG GLU A 99 11.710 6.685 -7.662 1.00 0.00 C ATOM 1535 CD GLU A 99 11.336 8.149 -7.872 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.491 8.919 -6.938 1.00 0.00 O ATOM 1537 OE2 GLU A 99 10.901 8.479 -8.963 1.00 0.00 O ATOM 0 H GLU A 99 10.942 4.350 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 99 13.656 4.864 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.721 6.759 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.251 7.196 -6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.366 6.350 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.815 6.063 -7.701 1.00 0.00 H new ATOM 1544 N MET A 100 14.677 5.414 -4.567 1.00 0.00 N ATOM 1545 CA MET A 100 15.343 5.296 -3.275 1.00 0.00 C ATOM 1546 C MET A 100 14.888 6.405 -2.333 1.00 0.00 C ATOM 1547 O MET A 100 14.447 7.466 -2.775 1.00 0.00 O ATOM 1548 CB MET A 100 16.860 5.375 -3.461 1.00 0.00 C ATOM 1549 CG MET A 100 17.302 4.350 -4.507 1.00 0.00 C ATOM 1550 SD MET A 100 16.825 2.690 -3.964 1.00 0.00 S ATOM 1551 CE MET A 100 17.866 2.628 -2.484 1.00 0.00 C ATOM 0 H MET A 100 15.197 5.942 -5.267 1.00 0.00 H new ATOM 0 HA MET A 100 15.079 4.333 -2.839 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.146 6.378 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.363 5.183 -2.513 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.843 4.575 -5.469 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.381 4.402 -4.649 1.00 0.00 H new ATOM 0 HE1 MET A 100 18.273 1.624 -2.367 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.684 3.341 -2.584 1.00 0.00 H new ATOM 0 HE3 MET A 100 17.269 2.882 -1.608 1.00 0.00 H new ATOM 1561 N PHE A 101 14.999 6.153 -1.033 1.00 0.00 N ATOM 1562 CA PHE A 101 14.578 7.131 -0.037 1.00 0.00 C ATOM 1563 C PHE A 101 15.752 7.531 0.851 1.00 0.00 C ATOM 1564 O PHE A 101 16.618 8.304 0.440 1.00 0.00 O ATOM 1565 CB PHE A 101 13.457 6.551 0.828 1.00 0.00 C ATOM 1566 CG PHE A 101 12.981 7.600 1.803 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.701 8.896 1.354 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.786 7.269 3.150 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.236 9.864 2.252 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.323 8.237 4.049 1.00 0.00 C ATOM 1571 CZ PHE A 101 12.048 9.534 3.600 1.00 0.00 C ATOM 0 H PHE A 101 15.374 5.287 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 101 14.212 8.016 -0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.630 6.222 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.815 5.674 1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.844 9.149 0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.993 6.267 3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.022 10.864 1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.178 7.983 5.089 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.691 10.281 4.294 1.00 0.00 H new ATOM 1581 N ILE A 102 15.776 6.998 2.068 1.00 0.00 N ATOM 1582 CA ILE A 102 16.847 7.309 3.007 1.00 0.00 C ATOM 1583 C ILE A 102 17.562 6.035 3.445 1.00 0.00 C ATOM 1584 O ILE A 102 17.016 4.936 3.339 1.00 0.00 O ATOM 1585 CB ILE A 102 16.277 8.023 4.232 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.334 7.076 4.979 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.501 9.264 3.786 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.083 6.421 6.141 1.00 0.00 C ATOM 0 H ILE A 102 15.071 6.353 2.425 1.00 0.00 H new ATOM 0 HA ILE A 102 17.564 7.961 2.508 1.00 0.00 H new ATOM 0 HB ILE A 102 17.093 8.322 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.470 7.626 5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.956 6.312 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.095 9.773 4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.170 9.939 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.685 8.966 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.412 5.747 6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.932 5.857 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.440 7.192 6.825 1.00 0.00 H new ATOM 1600 N GLU A 103 18.787 6.188 3.938 1.00 0.00 N ATOM 1601 CA GLU A 103 19.567 5.042 4.392 1.00 0.00 C ATOM 1602 C GLU A 103 20.282 5.365 5.700 1.00 0.00 C ATOM 1603 O GLU A 103 20.584 6.524 5.985 1.00 0.00 O ATOM 1604 CB GLU A 103 20.595 4.656 3.327 1.00 0.00 C ATOM 1605 CG GLU A 103 21.437 3.482 3.832 1.00 0.00 C ATOM 1606 CD GLU A 103 22.397 3.023 2.740 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.376 3.614 1.673 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.141 2.088 2.988 1.00 0.00 O ATOM 0 H GLU A 103 19.258 7.088 4.033 1.00 0.00 H new ATOM 0 HA GLU A 103 18.887 4.207 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.090 4.383 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.237 5.507 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.997 3.780 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.787 2.658 4.127 1.00 0.00 H new ATOM 1615 N GLY A 104 20.551 4.331 6.492 1.00 0.00 N ATOM 1616 CA GLY A 104 21.239 4.515 7.766 1.00 0.00 C ATOM 1617 C GLY A 104 20.392 3.995 8.922 1.00 0.00 C ATOM 1618 O GLY A 104 19.495 3.174 8.727 1.00 0.00 O ATOM 0 H GLY A 104 20.306 3.365 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.195 3.992 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.457 5.572 7.917 1.00 0.00 H new ATOM 1622 N ARG A 105 20.683 4.476 10.126 1.00 0.00 N ATOM 1623 CA ARG A 105 19.944 4.049 11.309 1.00 0.00 C ATOM 1624 C ARG A 105 18.828 5.040 11.627 1.00 0.00 C ATOM 1625 O ARG A 105 19.009 6.251 11.507 1.00 0.00 O ATOM 1626 CB ARG A 105 20.891 3.939 12.506 1.00 0.00 C ATOM 1627 CG ARG A 105 20.155 3.296 13.683 1.00 0.00 C ATOM 1628 CD ARG A 105 21.043 3.340 14.927 1.00 0.00 C ATOM 1629 NE ARG A 105 22.199 2.468 14.752 1.00 0.00 N ATOM 1630 CZ ARG A 105 23.330 2.922 14.222 1.00 0.00 C ATOM 1631 NH1 ARG A 105 23.413 4.165 13.829 1.00 0.00 N ATOM 1632 NH2 ARG A 105 24.356 2.126 14.092 1.00 0.00 N ATOM 0 H ARG A 105 21.420 5.157 10.308 1.00 0.00 H new ATOM 0 HA ARG A 105 19.502 3.073 11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.763 3.342 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.255 4.927 12.787 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.220 3.823 13.872 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.897 2.264 13.444 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.374 4.362 15.110 1.00 0.00 H new ATOM 0 HD3 ARG A 105 20.472 3.028 15.801 1.00 0.00 H new ATOM 0 HE ARG A 105 22.138 1.492 15.042 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.610 4.786 13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 105 24.281 4.514 13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 105 24.290 1.155 14.397 1.00 0.00 H new ATOM 0 HH22 ARG A 105 25.224 2.475 13.685 1.00 0.00 H new ATOM 1646 N VAL A 106 17.675 4.517 12.032 1.00 0.00 N ATOM 1647 CA VAL A 106 16.536 5.369 12.356 1.00 0.00 C ATOM 1648 C VAL A 106 16.049 5.103 13.778 1.00 0.00 C ATOM 1649 O VAL A 106 15.956 3.953 14.208 1.00 0.00 O ATOM 1650 CB VAL A 106 15.396 5.113 11.369 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.384 6.258 11.449 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.960 5.031 9.950 1.00 0.00 C ATOM 0 H VAL A 106 17.505 3.517 12.143 1.00 0.00 H new ATOM 0 HA VAL A 106 16.855 6.409 12.284 1.00 0.00 H new ATOM 0 HB VAL A 106 14.903 4.174 11.620 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.572 6.075 10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.982 6.318 12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.877 7.197 11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.148 4.849 9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.453 5.970 9.700 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.681 4.216 9.892 1.00 0.00 H new ATOM 1662 N ASN A 107 15.737 6.175 14.498 1.00 0.00 N ATOM 1663 CA ASN A 107 15.256 6.052 15.869 1.00 0.00 C ATOM 1664 C ASN A 107 14.100 7.016 16.114 1.00 0.00 C ATOM 1665 O ASN A 107 14.242 8.227 15.937 1.00 0.00 O ATOM 1666 CB ASN A 107 16.391 6.352 16.852 1.00 0.00 C ATOM 1667 CG ASN A 107 16.590 7.858 16.975 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.591 8.427 16.360 1.00 0.00 O flip ATOM 1669 ND2 ASN A 107 15.814 8.535 17.649 1.00 0.00 N flip ATOM 0 H ASN A 107 15.808 7.134 14.157 1.00 0.00 H new ATOM 0 HA ASN A 107 14.906 5.031 16.023 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.159 5.927 17.828 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.313 5.882 16.510 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.032 8.089 18.129 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.952 9.542 17.728 1.00 0.00 H new ATOM 1676 N GLY A 108 12.955 6.474 16.516 1.00 0.00 N ATOM 1677 CA GLY A 108 11.784 7.302 16.781 1.00 0.00 C ATOM 1678 C GLY A 108 11.608 8.350 15.688 1.00 0.00 C ATOM 1679 O GLY A 108 12.246 9.401 15.716 1.00 0.00 O ATOM 0 H GLY A 108 12.813 5.475 16.664 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.894 6.675 16.838 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.890 7.792 17.749 1.00 0.00 H new ATOM 1683 N PHE A 109 10.741 8.055 14.725 1.00 0.00 N ATOM 1684 CA PHE A 109 10.505 8.979 13.621 1.00 0.00 C ATOM 1685 C PHE A 109 9.019 9.048 13.282 1.00 0.00 C ATOM 1686 O PHE A 109 8.265 8.115 13.560 1.00 0.00 O ATOM 1687 CB PHE A 109 11.289 8.527 12.389 1.00 0.00 C ATOM 1688 CG PHE A 109 10.872 7.123 12.020 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.409 6.028 12.709 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.946 6.916 10.991 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.019 4.728 12.369 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.556 5.615 10.651 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.093 4.521 11.340 1.00 0.00 C ATOM 0 H PHE A 109 10.196 7.194 14.686 1.00 0.00 H new ATOM 0 HA PHE A 109 10.841 9.970 13.925 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.103 9.205 11.556 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.359 8.559 12.593 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.124 6.187 13.503 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.532 7.760 10.459 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.433 3.884 12.901 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.841 5.455 9.857 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.793 3.517 11.078 1.00 0.00 H new ATOM 1703 N LYS A 110 8.608 10.156 12.676 1.00 0.00 N ATOM 1704 CA LYS A 110 7.215 10.331 12.281 1.00 0.00 C ATOM 1705 C LYS A 110 7.075 10.222 10.766 1.00 0.00 C ATOM 1706 O LYS A 110 7.808 10.867 10.017 1.00 0.00 O ATOM 1707 CB LYS A 110 6.707 11.698 12.747 1.00 0.00 C ATOM 1708 CG LYS A 110 5.223 11.837 12.399 1.00 0.00 C ATOM 1709 CD LYS A 110 4.655 13.087 13.073 1.00 0.00 C ATOM 1710 CE LYS A 110 5.415 14.321 12.584 1.00 0.00 C ATOM 1711 NZ LYS A 110 5.701 14.184 11.128 1.00 0.00 N ATOM 0 H LYS A 110 9.216 10.943 12.448 1.00 0.00 H new ATOM 0 HA LYS A 110 6.620 9.546 12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.851 11.804 13.822 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.280 12.493 12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.097 11.905 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.677 10.953 12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.594 13.186 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.741 13.000 14.156 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.826 15.220 12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.346 14.431 13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.866 15.125 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.547 13.594 10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.889 13.737 10.655 1.00 0.00 H new ATOM 1725 N SER A 111 6.135 9.395 10.323 1.00 0.00 N ATOM 1726 CA SER A 111 5.923 9.189 8.894 1.00 0.00 C ATOM 1727 C SER A 111 4.573 9.751 8.457 1.00 0.00 C ATOM 1728 O SER A 111 3.560 9.562 9.131 1.00 0.00 O ATOM 1729 CB SER A 111 5.985 7.698 8.569 1.00 0.00 C ATOM 1730 OG SER A 111 7.194 7.156 9.084 1.00 0.00 O ATOM 0 H SER A 111 5.511 8.860 10.927 1.00 0.00 H new ATOM 0 HA SER A 111 6.710 9.715 8.353 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.128 7.183 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.935 7.546 7.491 1.00 0.00 H new ATOM 0 HG SER A 111 7.237 6.199 8.879 1.00 0.00 H new ATOM 1736 N LYS A 112 4.569 10.439 7.318 1.00 0.00 N ATOM 1737 CA LYS A 112 3.338 11.006 6.779 1.00 0.00 C ATOM 1738 C LYS A 112 3.305 10.846 5.262 1.00 0.00 C ATOM 1739 O LYS A 112 4.236 11.251 4.566 1.00 0.00 O ATOM 1740 CB LYS A 112 3.240 12.490 7.140 1.00 0.00 C ATOM 1741 CG LYS A 112 1.873 13.029 6.715 1.00 0.00 C ATOM 1742 CD LYS A 112 1.785 14.520 7.048 1.00 0.00 C ATOM 1743 CE LYS A 112 0.362 15.018 6.785 1.00 0.00 C ATOM 1744 NZ LYS A 112 -0.045 14.652 5.400 1.00 0.00 N ATOM 0 H LYS A 112 5.400 10.616 6.754 1.00 0.00 H new ATOM 0 HA LYS A 112 2.491 10.474 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.378 12.624 8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.033 13.049 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.726 12.875 5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.080 12.484 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.053 14.687 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.496 15.082 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.327 14.579 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.314 16.099 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.858 15.233 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.748 14.821 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.310 13.647 5.370 1.00 0.00 H new ATOM 1758 N MET A 113 2.231 10.248 4.755 1.00 0.00 N ATOM 1759 CA MET A 113 2.102 10.026 3.319 1.00 0.00 C ATOM 1760 C MET A 113 0.709 10.409 2.830 1.00 0.00 C ATOM 1761 O MET A 113 -0.225 10.546 3.621 1.00 0.00 O ATOM 1762 CB MET A 113 2.369 8.556 2.995 1.00 0.00 C ATOM 1763 CG MET A 113 3.764 8.169 3.489 1.00 0.00 C ATOM 1764 SD MET A 113 3.666 7.657 5.223 1.00 0.00 S ATOM 1765 CE MET A 113 3.224 5.928 4.923 1.00 0.00 C ATOM 0 H MET A 113 1.445 9.911 5.311 1.00 0.00 H new ATOM 0 HA MET A 113 2.834 10.654 2.811 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.616 7.926 3.469 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.293 8.390 1.920 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.165 7.358 2.881 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.446 9.013 3.385 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.755 5.512 5.815 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.527 5.870 4.087 1.00 0.00 H new ATOM 0 HE3 MET A 113 4.123 5.358 4.687 1.00 0.00 H new ATOM 1775 N ASP A 114 0.580 10.577 1.517 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.701 10.938 0.920 1.00 0.00 C ATOM 1777 C ASP A 114 -0.807 10.367 -0.492 1.00 0.00 C ATOM 1778 O ASP A 114 0.166 9.839 -1.030 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.845 12.461 0.871 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.303 12.839 0.639 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.125 11.940 0.570 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.577 14.023 0.534 1.00 0.00 O ATOM 0 H ASP A 114 1.343 10.469 0.849 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.500 10.520 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.491 12.898 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.224 12.868 0.073 1.00 0.00 H new ATOM 1787 N ALA A 115 -1.991 10.474 -1.084 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.205 9.961 -2.433 1.00 0.00 C ATOM 1789 C ALA A 115 -2.726 11.062 -3.352 1.00 0.00 C ATOM 1790 O ALA A 115 -3.932 11.289 -3.444 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.208 8.806 -2.401 1.00 0.00 C ATOM 0 H ALA A 115 -2.810 10.907 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.250 9.604 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.362 8.429 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.821 8.005 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.157 9.159 -1.997 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.807 11.740 -4.032 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.182 12.820 -4.938 1.00 0.00 C ATOM 1799 C LEU A 116 -2.375 12.285 -6.354 1.00 0.00 C ATOM 1800 O LEU A 116 -1.748 11.303 -6.750 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.099 13.900 -4.937 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.570 14.089 -3.514 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.395 15.276 -3.478 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.742 14.358 -2.568 1.00 0.00 C ATOM 0 H LEU A 116 -0.804 11.563 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.122 13.251 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.285 13.615 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.506 14.839 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.046 13.187 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.771 15.409 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.230 15.086 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.128 16.179 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.367 14.493 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.265 15.260 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.430 13.513 -2.591 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.228 12.915 -7.113 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.507 12.512 -8.524 1.00 0.00 C ATOM 1818 C PRO A 117 -2.375 12.906 -9.469 1.00 0.00 C ATOM 1819 O PRO A 117 -1.865 14.025 -9.408 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.796 13.261 -8.875 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.800 14.479 -8.011 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.061 14.106 -6.727 1.00 0.00 C ATOM 0 HA PRO A 117 -3.599 11.431 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.818 13.529 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.673 12.642 -8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.308 15.312 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.820 14.796 -7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.440 14.928 -6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.756 13.862 -5.924 1.00 0.00 H new ATOM 1830 N LEU A 118 -1.990 11.982 -10.342 1.00 0.00 N ATOM 1831 CA LEU A 118 -0.912 12.244 -11.289 1.00 0.00 C ATOM 1832 C LEU A 118 -1.209 13.504 -12.095 1.00 0.00 C ATOM 1833 O LEU A 118 -2.343 13.733 -12.514 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.748 11.057 -12.240 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.570 9.772 -11.430 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -0.929 8.568 -12.302 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.887 9.654 -10.976 1.00 0.00 C ATOM 0 H LEU A 118 -2.404 11.053 -10.414 1.00 0.00 H new ATOM 0 HA LEU A 118 0.012 12.389 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.621 10.973 -12.887 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.115 11.213 -12.888 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.223 9.798 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.803 7.651 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.966 8.651 -12.629 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.275 8.542 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.015 8.738 -10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.539 9.627 -11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.146 10.513 -10.357 1.00 0.00 H new ATOM 1849 N SER A 119 -0.180 14.318 -12.309 1.00 0.00 N ATOM 1850 CA SER A 119 -0.343 15.555 -13.064 1.00 0.00 C ATOM 1851 C SER A 119 0.366 15.458 -14.410 1.00 0.00 C ATOM 1852 O SER A 119 0.871 14.399 -14.782 1.00 0.00 O ATOM 1853 CB SER A 119 0.228 16.729 -12.268 1.00 0.00 C ATOM 1854 OG SER A 119 -0.754 17.199 -11.355 1.00 0.00 O ATOM 0 H SER A 119 0.768 14.146 -11.974 1.00 0.00 H new ATOM 0 HA SER A 119 -1.407 15.716 -13.238 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.123 16.417 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.526 17.531 -12.944 1.00 0.00 H new ATOM 0 HG SER A 119 -0.390 17.951 -10.842 1.00 0.00 H new ATOM 1860 N GLU A 120 0.400 16.571 -15.137 1.00 0.00 N ATOM 1861 CA GLU A 120 1.058 16.600 -16.437 1.00 0.00 C ATOM 1862 C GLU A 120 2.501 16.123 -16.317 1.00 0.00 C ATOM 1863 O GLU A 120 3.045 15.519 -17.242 1.00 0.00 O ATOM 1864 CB GLU A 120 1.034 18.021 -17.004 1.00 0.00 C ATOM 1865 CG GLU A 120 1.792 18.056 -18.332 1.00 0.00 C ATOM 1866 CD GLU A 120 1.130 17.119 -19.336 1.00 0.00 C ATOM 1867 OE1 GLU A 120 -0.058 16.879 -19.198 1.00 0.00 O ATOM 1868 OE2 GLU A 120 1.821 16.657 -20.229 1.00 0.00 O ATOM 0 H GLU A 120 -0.017 17.457 -14.850 1.00 0.00 H new ATOM 0 HA GLU A 120 0.521 15.932 -17.110 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.004 18.347 -17.153 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.489 18.714 -16.296 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.806 19.072 -18.725 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.829 17.760 -18.176 1.00 0.00 H new ATOM 1875 N GLU A 121 3.115 16.398 -15.171 1.00 0.00 N ATOM 1876 CA GLU A 121 4.497 15.994 -14.941 1.00 0.00 C ATOM 1877 C GLU A 121 4.642 14.483 -15.072 1.00 0.00 C ATOM 1878 O GLU A 121 5.639 13.988 -15.599 1.00 0.00 O ATOM 1879 CB GLU A 121 4.945 16.435 -13.545 1.00 0.00 C ATOM 1880 CG GLU A 121 4.936 17.962 -13.463 1.00 0.00 C ATOM 1881 CD GLU A 121 5.446 18.413 -12.097 1.00 0.00 C ATOM 1882 OE1 GLU A 121 5.619 17.562 -11.242 1.00 0.00 O ATOM 1883 OE2 GLU A 121 5.655 19.604 -11.930 1.00 0.00 O ATOM 0 H GLU A 121 2.682 16.895 -14.393 1.00 0.00 H new ATOM 0 HA GLU A 121 5.126 16.473 -15.691 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.280 16.016 -12.789 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.945 16.055 -13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.562 18.381 -14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.926 18.337 -13.626 1.00 0.00 H new ATOM 1890 N TYR A 122 3.641 13.753 -14.590 1.00 0.00 N ATOM 1891 CA TYR A 122 3.668 12.297 -14.662 1.00 0.00 C ATOM 1892 C TYR A 122 3.656 11.836 -16.116 1.00 0.00 C ATOM 1893 O TYR A 122 4.417 10.949 -16.503 1.00 0.00 O ATOM 1894 CB TYR A 122 2.461 11.712 -13.928 1.00 0.00 C ATOM 1895 CG TYR A 122 2.328 10.247 -14.268 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.287 9.334 -13.811 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.248 9.801 -15.039 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.164 7.975 -14.125 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.125 8.443 -15.353 1.00 0.00 C ATOM 1900 CZ TYR A 122 2.084 7.529 -14.895 1.00 0.00 C ATOM 1901 OH TYR A 122 1.962 6.190 -15.204 1.00 0.00 O ATOM 0 H TYR A 122 2.808 14.142 -14.149 1.00 0.00 H new ATOM 0 HA TYR A 122 4.583 11.945 -14.186 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.580 11.837 -12.852 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.555 12.246 -14.213 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.121 9.678 -13.217 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.509 10.506 -15.392 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.903 7.271 -13.773 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.292 8.099 -15.948 1.00 0.00 H new ATOM 0 HH TYR A 122 1.156 6.051 -15.744 1.00 0.00 H new