USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 631 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 16 TYR OH : rot 10:sc= -0.622 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0.956 USER MOD Set 1.3: A 72 LYS NZ :NH3+ -112:sc= 0.115 (180deg=-1.89!) USER MOD Set 2.1: A 59 HIS :FLIP no HD1:sc= -0.201 X(o=-0.53,f=-0.38) USER MOD Set 2.2: A 60 ASN :FLIP amide:sc= -0.176 F(o=-1.6,f=-0.38) USER MOD Single : A 5 GLN : amide:sc= -0.71 K(o=-0.71,f=-3.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.925) USER MOD Single : A 10 MET CE :methyl 160:sc= -2.37 (180deg=-4.72!) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= -3.32! (180deg=-4.16!) USER MOD Single : A 15 THR OG1 : rot -75:sc= -2.87! USER MOD Single : A 18 GLN :FLIP amide:sc= -0.181 F(o=-1.4!,f=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.4! C(o=-3.4!,f=-5.2!) USER MOD Single : A 35 HIS : no HE2:sc= -2.66! C(o=-2.7!,f=-6.3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.0198 K(o=0.02,f=-0.76) USER MOD Single : A 39 GLN : amide:sc= -1.91! X(o=-1.9!,f=-1.9) USER MOD Single : A 40 SER OG : rot -64:sc= -0.434! USER MOD Single : A 41 SER OG : rot -49:sc= 1.06 USER MOD Single : A 45 GLN : amide:sc= -3.34! C(o=-3.3!,f=-4.8!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -2.44 F(o=-3!,f=-2.4) USER MOD Single : A 52 LYS NZ :NH3+ -135:sc= -1.32! (180deg=-3.01!) USER MOD Single : A 62 ASN : amide:sc= -2.13! C(o=-2.1!,f=-5.8!) USER MOD Single : A 64 ASN : amide:sc= 0.813 K(o=0.81,f=-4.4!) USER MOD Single : A 65 ASN : amide:sc= -15.3! C(o=-15!,f=-23!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.309 K(o=0.31,f=-6!) USER MOD Single : A 76 ASN : amide:sc= -0.763 K(o=-0.76,f=-2.6!) USER MOD Single : A 79 TYR OH : rot -29:sc= -1.55 USER MOD Single : A 80 THR OG1 : rot -175:sc= -1.55 USER MOD Single : A 82 SER OG : rot 26:sc= 0.883 USER MOD Single : A 88 SER OG : rot -11:sc= 0.746! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N CYS A 3 -6.764 5.706 6.885 1.00 0.00 N ATOM 37 CA CYS A 3 -5.395 5.582 6.293 1.00 0.00 C ATOM 38 C CYS A 3 -4.319 5.399 7.394 1.00 0.00 C ATOM 39 O CYS A 3 -3.299 6.059 7.404 1.00 0.00 O ATOM 40 CB CYS A 3 -5.033 6.867 5.430 1.00 0.00 C ATOM 41 SG CYS A 3 -5.772 7.223 3.811 1.00 0.00 S ATOM 0 HA CYS A 3 -5.403 4.701 5.652 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.244 7.730 6.061 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.954 6.840 5.276 1.00 0.00 H new ATOM 46 N GLY A 4 -4.581 4.488 8.294 1.00 0.00 N ATOM 47 CA GLY A 4 -3.657 4.153 9.438 1.00 0.00 C ATOM 48 C GLY A 4 -3.079 2.813 9.045 1.00 0.00 C ATOM 49 O GLY A 4 -1.877 2.635 8.986 1.00 0.00 O ATOM 0 H GLY A 4 -5.437 3.933 8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.878 4.906 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.195 4.096 10.385 1.00 0.00 H new ATOM 53 N GLN A 5 -3.975 1.881 8.781 1.00 0.00 N ATOM 54 CA GLN A 5 -3.562 0.503 8.354 1.00 0.00 C ATOM 55 C GLN A 5 -2.489 0.705 7.272 1.00 0.00 C ATOM 56 O GLN A 5 -1.442 0.090 7.280 1.00 0.00 O ATOM 57 CB GLN A 5 -4.810 -0.228 7.799 1.00 0.00 C ATOM 58 CG GLN A 5 -5.607 -0.847 8.987 1.00 0.00 C ATOM 59 CD GLN A 5 -4.930 -2.136 9.436 1.00 0.00 C ATOM 60 OE1 GLN A 5 -3.816 -2.156 9.909 1.00 0.00 O ATOM 61 NE2 GLN A 5 -5.566 -3.253 9.295 1.00 0.00 N ATOM 0 H GLN A 5 -4.983 2.021 8.845 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.161 -0.102 9.168 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.440 0.469 7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.509 -1.009 7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.653 -0.140 9.815 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.634 -1.050 8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.506 -3.258 8.899 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.128 -4.129 9.580 1.00 0.00 H new ATOM 70 N VAL A 6 -2.860 1.601 6.393 1.00 0.00 N ATOM 71 CA VAL A 6 -2.066 2.065 5.211 1.00 0.00 C ATOM 72 C VAL A 6 -0.590 1.729 5.407 1.00 0.00 C ATOM 73 O VAL A 6 0.086 0.988 4.715 1.00 0.00 O ATOM 74 CB VAL A 6 -2.377 3.593 5.146 1.00 0.00 C ATOM 75 CG1 VAL A 6 -1.267 4.398 4.494 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.605 3.832 4.287 1.00 0.00 C ATOM 0 H VAL A 6 -3.764 2.069 6.457 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.322 1.582 4.268 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.508 3.909 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.543 5.452 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.345 4.272 5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.115 4.048 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.817 4.900 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.422 3.459 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.458 3.309 4.719 1.00 0.00 H new ATOM 86 N ASP A 7 -0.175 2.339 6.464 1.00 0.00 N ATOM 87 CA ASP A 7 1.186 2.273 6.976 1.00 0.00 C ATOM 88 C ASP A 7 1.496 1.044 7.826 1.00 0.00 C ATOM 89 O ASP A 7 2.474 0.361 7.568 1.00 0.00 O ATOM 90 CB ASP A 7 1.300 3.541 7.723 1.00 0.00 C ATOM 91 CG ASP A 7 2.729 3.621 8.200 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.543 3.811 7.314 1.00 0.00 O ATOM 93 OD2 ASP A 7 2.986 3.473 9.383 1.00 0.00 O ATOM 0 H ASP A 7 -0.786 2.926 7.032 1.00 0.00 H new ATOM 0 HA ASP A 7 1.920 2.162 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.054 4.391 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.607 3.561 8.564 1.00 0.00 H new ATOM 98 N SER A 8 0.625 0.825 8.784 1.00 0.00 N ATOM 99 CA SER A 8 0.709 -0.302 9.758 1.00 0.00 C ATOM 100 C SER A 8 1.167 -1.559 9.025 1.00 0.00 C ATOM 101 O SER A 8 1.873 -2.391 9.558 1.00 0.00 O ATOM 102 CB SER A 8 -0.683 -0.453 10.372 1.00 0.00 C ATOM 103 OG SER A 8 -0.446 -1.192 11.561 1.00 0.00 O ATOM 0 H SER A 8 -0.188 1.423 8.933 1.00 0.00 H new ATOM 0 HA SER A 8 1.433 -0.120 10.553 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.134 0.516 10.586 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.362 -0.980 9.701 1.00 0.00 H new ATOM 0 HG SER A 8 -1.294 -1.338 12.030 1.00 0.00 H new ATOM 109 N LYS A 9 0.693 -1.627 7.804 1.00 0.00 N ATOM 110 CA LYS A 9 0.988 -2.740 6.871 1.00 0.00 C ATOM 111 C LYS A 9 1.931 -2.456 5.674 1.00 0.00 C ATOM 112 O LYS A 9 2.561 -3.407 5.261 1.00 0.00 O ATOM 113 CB LYS A 9 -0.349 -3.245 6.317 1.00 0.00 C ATOM 114 CG LYS A 9 -1.493 -3.187 7.389 1.00 0.00 C ATOM 115 CD LYS A 9 -1.059 -3.971 8.636 1.00 0.00 C ATOM 116 CE LYS A 9 -1.268 -5.485 8.311 1.00 0.00 C ATOM 117 NZ LYS A 9 -0.395 -6.397 9.120 1.00 0.00 N ATOM 0 H LYS A 9 0.083 -0.914 7.405 1.00 0.00 H new ATOM 0 HA LYS A 9 1.540 -3.462 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.632 -2.645 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.232 -4.271 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.708 -2.151 7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.411 -3.609 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.016 -3.768 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.650 -3.676 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.312 -5.745 8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.071 -5.652 7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.310 -7.314 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.548 -5.972 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.817 -6.538 10.060 1.00 0.00 H new ATOM 131 N MET A 10 2.051 -1.262 5.120 1.00 0.00 N ATOM 132 CA MET A 10 2.953 -1.036 3.962 1.00 0.00 C ATOM 133 C MET A 10 4.110 -0.068 4.144 1.00 0.00 C ATOM 134 O MET A 10 4.786 0.244 3.178 1.00 0.00 O ATOM 135 CB MET A 10 2.033 -0.609 2.854 1.00 0.00 C ATOM 136 CG MET A 10 1.038 -1.760 2.594 1.00 0.00 C ATOM 137 SD MET A 10 0.587 -2.054 0.872 1.00 0.00 S ATOM 138 CE MET A 10 2.279 -2.191 0.251 1.00 0.00 C ATOM 0 H MET A 10 1.549 -0.432 5.435 1.00 0.00 H new ATOM 0 HA MET A 10 3.502 -1.957 3.768 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.500 0.301 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.601 -0.385 1.951 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.464 -2.678 2.997 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.127 -1.558 3.157 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.274 -2.715 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.699 -1.194 0.116 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.885 -2.746 0.966 1.00 0.00 H new ATOM 148 N LYS A 11 4.304 0.415 5.348 1.00 0.00 N ATOM 149 CA LYS A 11 5.427 1.347 5.640 1.00 0.00 C ATOM 150 C LYS A 11 6.701 0.918 4.835 1.00 0.00 C ATOM 151 O LYS A 11 7.204 1.674 4.019 1.00 0.00 O ATOM 152 CB LYS A 11 5.587 1.272 7.179 1.00 0.00 C ATOM 153 CG LYS A 11 7.025 1.597 7.637 1.00 0.00 C ATOM 154 CD LYS A 11 7.408 3.059 7.309 1.00 0.00 C ATOM 155 CE LYS A 11 6.413 4.123 7.783 1.00 0.00 C ATOM 156 NZ LYS A 11 5.713 3.681 9.036 1.00 0.00 N ATOM 0 H LYS A 11 3.717 0.195 6.153 1.00 0.00 H new ATOM 0 HA LYS A 11 5.251 2.378 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.893 1.969 7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.316 0.273 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.113 1.429 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.725 0.918 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.380 3.271 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.526 3.152 6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.937 5.061 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.679 4.315 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.570 4.500 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.791 3.267 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.293 2.970 9.525 1.00 0.00 H new ATOM 170 N PRO A 12 7.179 -0.298 5.084 1.00 0.00 N ATOM 171 CA PRO A 12 8.381 -0.869 4.406 1.00 0.00 C ATOM 172 C PRO A 12 8.256 -0.902 2.873 1.00 0.00 C ATOM 173 O PRO A 12 9.239 -0.929 2.154 1.00 0.00 O ATOM 174 CB PRO A 12 8.524 -2.243 5.023 1.00 0.00 C ATOM 175 CG PRO A 12 7.074 -2.603 5.401 1.00 0.00 C ATOM 176 CD PRO A 12 6.611 -1.312 6.042 1.00 0.00 C ATOM 0 HA PRO A 12 9.269 -0.255 4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.948 -2.960 4.320 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.177 -2.228 5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.475 -2.868 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.025 -3.446 6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.525 -1.252 6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.002 -1.189 7.052 1.00 0.00 H new ATOM 184 N CYS A 13 7.039 -0.862 2.394 1.00 0.00 N ATOM 185 CA CYS A 13 6.919 -0.906 0.899 1.00 0.00 C ATOM 186 C CYS A 13 6.950 0.508 0.364 1.00 0.00 C ATOM 187 O CYS A 13 7.603 0.763 -0.633 1.00 0.00 O ATOM 188 CB CYS A 13 5.642 -1.611 0.546 1.00 0.00 C ATOM 189 SG CYS A 13 5.510 -3.244 1.294 1.00 0.00 S ATOM 0 H CYS A 13 6.172 -0.805 2.929 1.00 0.00 H new ATOM 0 HA CYS A 13 7.748 -1.452 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.797 -1.002 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.574 -1.707 -0.538 1.00 0.00 H new ATOM 194 N LEU A 14 6.260 1.423 1.003 1.00 0.00 N ATOM 195 CA LEU A 14 6.352 2.800 0.429 1.00 0.00 C ATOM 196 C LEU A 14 7.839 3.156 0.623 1.00 0.00 C ATOM 197 O LEU A 14 8.459 3.576 -0.331 1.00 0.00 O ATOM 198 CB LEU A 14 5.528 3.886 1.169 1.00 0.00 C ATOM 199 CG LEU A 14 5.772 5.217 0.328 1.00 0.00 C ATOM 200 CD1 LEU A 14 5.028 5.168 -1.025 1.00 0.00 C ATOM 201 CD2 LEU A 14 5.310 6.464 1.046 1.00 0.00 C ATOM 0 H LEU A 14 5.680 1.295 1.832 1.00 0.00 H new ATOM 0 HA LEU A 14 5.968 2.790 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.470 3.627 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.861 4.002 2.200 1.00 0.00 H new ATOM 0 HG LEU A 14 6.851 5.265 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.214 6.090 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.387 4.319 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.958 5.060 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.504 7.336 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.241 6.393 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.851 6.564 1.987 1.00 0.00 H new ATOM 213 N THR A 15 8.366 2.996 1.832 1.00 0.00 N ATOM 214 CA THR A 15 9.836 3.315 2.083 1.00 0.00 C ATOM 215 C THR A 15 10.556 2.761 0.869 1.00 0.00 C ATOM 216 O THR A 15 11.175 3.515 0.148 1.00 0.00 O ATOM 217 CB THR A 15 10.380 2.613 3.354 1.00 0.00 C ATOM 218 OG1 THR A 15 9.792 1.340 3.300 1.00 0.00 O ATOM 219 CG2 THR A 15 9.826 3.213 4.635 1.00 0.00 C ATOM 0 H THR A 15 7.852 2.663 2.648 1.00 0.00 H new ATOM 0 HA THR A 15 9.980 4.385 2.235 1.00 0.00 H new ATOM 0 HB THR A 15 11.468 2.670 3.368 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.848 1.405 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.240 2.684 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.100 4.266 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.740 3.120 4.640 1.00 0.00 H new ATOM 227 N TYR A 16 10.458 1.473 0.674 1.00 0.00 N ATOM 228 CA TYR A 16 11.117 0.849 -0.513 1.00 0.00 C ATOM 229 C TYR A 16 10.978 1.713 -1.809 1.00 0.00 C ATOM 230 O TYR A 16 11.972 2.177 -2.338 1.00 0.00 O ATOM 231 CB TYR A 16 10.476 -0.537 -0.699 1.00 0.00 C ATOM 232 CG TYR A 16 10.984 -1.294 -1.936 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.330 -1.482 -2.166 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.073 -1.813 -2.835 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.754 -2.180 -3.288 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.500 -2.506 -3.950 1.00 0.00 C ATOM 237 CZ TYR A 16 11.838 -2.692 -4.182 1.00 0.00 C ATOM 238 OH TYR A 16 12.256 -3.380 -5.302 1.00 0.00 O ATOM 0 H TYR A 16 9.953 0.828 1.281 1.00 0.00 H new ATOM 0 HA TYR A 16 12.190 0.771 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.670 -1.139 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.395 -0.420 -0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.056 -1.085 -1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.016 -1.675 -2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.810 -2.323 -3.462 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.775 -2.904 -4.644 1.00 0.00 H new ATOM 0 HH TYR A 16 13.218 -3.556 -5.238 1.00 0.00 H new ATOM 248 N VAL A 17 9.778 1.934 -2.299 1.00 0.00 N ATOM 249 CA VAL A 17 9.649 2.759 -3.561 1.00 0.00 C ATOM 250 C VAL A 17 10.219 4.165 -3.458 1.00 0.00 C ATOM 251 O VAL A 17 10.767 4.604 -4.446 1.00 0.00 O ATOM 252 CB VAL A 17 8.156 2.870 -4.040 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.470 1.536 -3.881 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.293 3.939 -3.415 1.00 0.00 C ATOM 0 H VAL A 17 8.903 1.594 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 17 10.246 2.210 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 17 8.253 3.181 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.435 1.617 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.987 0.787 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.491 1.239 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.292 3.895 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.235 3.777 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.728 4.919 -3.611 1.00 0.00 H new ATOM 264 N GLN A 18 10.098 4.859 -2.356 1.00 0.00 N ATOM 265 CA GLN A 18 10.699 6.228 -2.338 1.00 0.00 C ATOM 266 C GLN A 18 12.206 6.168 -2.017 1.00 0.00 C ATOM 267 O GLN A 18 12.879 7.173 -2.148 1.00 0.00 O ATOM 268 CB GLN A 18 9.946 7.107 -1.299 1.00 0.00 C ATOM 269 CG GLN A 18 9.654 6.350 0.020 1.00 0.00 C ATOM 270 CD GLN A 18 9.160 7.255 1.155 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.292 8.531 1.015 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 8.661 6.822 2.171 1.00 0.00 N flip ATOM 0 H GLN A 18 9.631 4.556 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 18 10.595 6.674 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.540 7.994 -1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.007 7.451 -1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.906 5.581 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.561 5.839 0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.550 5.816 2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.352 7.464 2.901 1.00 0.00 H new ATOM 281 N GLY A 19 12.677 5.019 -1.593 1.00 0.00 N ATOM 282 CA GLY A 19 14.141 4.818 -1.259 1.00 0.00 C ATOM 283 C GLY A 19 14.545 4.786 0.230 1.00 0.00 C ATOM 284 O GLY A 19 15.627 5.208 0.590 1.00 0.00 O ATOM 0 H GLY A 19 12.101 4.188 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.462 3.880 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.706 5.615 -1.742 1.00 0.00 H new ATOM 288 N GLY A 20 13.668 4.281 1.047 1.00 0.00 N ATOM 289 CA GLY A 20 13.903 4.174 2.534 1.00 0.00 C ATOM 290 C GLY A 20 14.071 2.714 3.018 1.00 0.00 C ATOM 291 O GLY A 20 14.199 1.817 2.210 1.00 0.00 O ATOM 0 H GLY A 20 12.762 3.922 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.795 4.743 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.066 4.632 3.062 1.00 0.00 H new ATOM 295 N PRO A 21 14.070 2.489 4.320 1.00 0.00 N ATOM 296 CA PRO A 21 14.448 1.168 4.949 1.00 0.00 C ATOM 297 C PRO A 21 13.530 -0.085 4.721 1.00 0.00 C ATOM 298 O PRO A 21 13.167 -0.779 5.652 1.00 0.00 O ATOM 299 CB PRO A 21 14.592 1.540 6.451 1.00 0.00 C ATOM 300 CG PRO A 21 14.745 3.083 6.440 1.00 0.00 C ATOM 301 CD PRO A 21 13.733 3.489 5.374 1.00 0.00 C ATOM 0 HA PRO A 21 15.344 0.787 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.719 1.229 7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.459 1.056 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.516 3.524 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.758 3.392 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.703 3.402 5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.870 4.516 5.036 1.00 0.00 H new ATOM 309 N GLY A 22 13.202 -0.327 3.482 1.00 0.00 N ATOM 310 CA GLY A 22 12.337 -1.480 3.048 1.00 0.00 C ATOM 311 C GLY A 22 13.081 -2.224 1.922 1.00 0.00 C ATOM 312 O GLY A 22 14.197 -1.849 1.615 1.00 0.00 O ATOM 0 H GLY A 22 13.513 0.257 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.143 -2.150 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.370 -1.121 2.696 1.00 0.00 H new ATOM 316 N PRO A 23 12.519 -3.239 1.305 1.00 0.00 N ATOM 317 CA PRO A 23 11.224 -3.907 1.634 1.00 0.00 C ATOM 318 C PRO A 23 11.448 -5.141 2.545 1.00 0.00 C ATOM 319 O PRO A 23 10.544 -5.683 3.156 1.00 0.00 O ATOM 320 CB PRO A 23 10.710 -4.223 0.252 1.00 0.00 C ATOM 321 CG PRO A 23 12.004 -4.753 -0.452 1.00 0.00 C ATOM 322 CD PRO A 23 13.146 -3.857 0.100 1.00 0.00 C ATOM 0 HA PRO A 23 10.515 -3.317 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.918 -4.972 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.304 -3.342 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.178 -5.804 -0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.926 -4.673 -1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.031 -4.440 0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.459 -3.106 -0.625 1.00 0.00 H new ATOM 330 N SER A 24 12.697 -5.516 2.576 1.00 0.00 N ATOM 331 CA SER A 24 13.224 -6.681 3.361 1.00 0.00 C ATOM 332 C SER A 24 12.282 -7.904 3.557 1.00 0.00 C ATOM 333 O SER A 24 12.337 -8.824 2.767 1.00 0.00 O ATOM 334 CB SER A 24 13.652 -6.082 4.684 1.00 0.00 C ATOM 335 OG SER A 24 14.790 -5.290 4.343 1.00 0.00 O ATOM 0 H SER A 24 13.425 -5.029 2.053 1.00 0.00 H new ATOM 0 HA SER A 24 14.030 -7.143 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.860 -5.477 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.904 -6.854 5.411 1.00 0.00 H new ATOM 0 HG SER A 24 15.140 -4.856 5.149 1.00 0.00 H new ATOM 341 N GLY A 25 11.463 -7.909 4.571 1.00 0.00 N ATOM 342 CA GLY A 25 10.514 -9.060 4.837 1.00 0.00 C ATOM 343 C GLY A 25 9.127 -8.513 5.148 1.00 0.00 C ATOM 344 O GLY A 25 8.111 -8.913 4.604 1.00 0.00 O ATOM 0 H GLY A 25 11.400 -7.151 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.471 -9.718 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.876 -9.658 5.673 1.00 0.00 H new ATOM 348 N GLU A 26 9.180 -7.583 6.065 1.00 0.00 N ATOM 349 CA GLU A 26 7.985 -6.870 6.559 1.00 0.00 C ATOM 350 C GLU A 26 7.206 -6.356 5.342 1.00 0.00 C ATOM 351 O GLU A 26 5.994 -6.384 5.387 1.00 0.00 O ATOM 352 CB GLU A 26 8.512 -5.771 7.531 1.00 0.00 C ATOM 353 CG GLU A 26 9.361 -4.669 6.836 1.00 0.00 C ATOM 354 CD GLU A 26 10.797 -4.953 6.425 1.00 0.00 C ATOM 355 OE1 GLU A 26 11.303 -6.029 6.705 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.300 -4.021 5.824 1.00 0.00 O ATOM 0 H GLU A 26 10.049 -7.282 6.506 1.00 0.00 H new ATOM 0 HA GLU A 26 7.279 -7.485 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.663 -5.302 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.114 -6.244 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.823 -4.365 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.381 -3.808 7.504 1.00 0.00 H new ATOM 363 N CYS A 27 7.871 -5.910 4.291 1.00 0.00 N ATOM 364 CA CYS A 27 7.083 -5.431 3.117 1.00 0.00 C ATOM 365 C CYS A 27 6.382 -6.650 2.503 1.00 0.00 C ATOM 366 O CYS A 27 5.183 -6.732 2.604 1.00 0.00 O ATOM 367 CB CYS A 27 7.988 -4.822 2.074 1.00 0.00 C ATOM 368 SG CYS A 27 7.099 -4.281 0.589 1.00 0.00 S ATOM 0 H CYS A 27 8.886 -5.860 4.203 1.00 0.00 H new ATOM 0 HA CYS A 27 6.369 -4.674 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.511 -3.970 2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.747 -5.551 1.790 1.00 0.00 H new ATOM 373 N CYS A 28 7.080 -7.576 1.891 1.00 0.00 N ATOM 374 CA CYS A 28 6.375 -8.757 1.305 1.00 0.00 C ATOM 375 C CYS A 28 5.189 -9.268 2.114 1.00 0.00 C ATOM 376 O CYS A 28 4.115 -9.419 1.561 1.00 0.00 O ATOM 377 CB CYS A 28 7.418 -9.838 1.103 1.00 0.00 C ATOM 378 SG CYS A 28 8.586 -9.456 -0.223 1.00 0.00 S ATOM 0 H CYS A 28 8.093 -7.566 1.773 1.00 0.00 H new ATOM 0 HA CYS A 28 5.920 -8.449 0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.968 -9.983 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.918 -10.780 0.879 1.00 0.00 H new ATOM 383 N ASN A 29 5.369 -9.508 3.392 1.00 0.00 N ATOM 384 CA ASN A 29 4.181 -10.003 4.148 1.00 0.00 C ATOM 385 C ASN A 29 3.240 -8.822 4.266 1.00 0.00 C ATOM 386 O ASN A 29 2.095 -8.979 3.926 1.00 0.00 O ATOM 387 CB ASN A 29 4.607 -10.540 5.542 1.00 0.00 C ATOM 388 CG ASN A 29 5.302 -9.535 6.432 1.00 0.00 C ATOM 389 OD1 ASN A 29 4.776 -8.530 6.852 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.525 -9.789 6.753 1.00 0.00 N ATOM 0 H ASN A 29 6.235 -9.391 3.918 1.00 0.00 H new ATOM 0 HA ASN A 29 3.694 -10.834 3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.721 -10.908 6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.269 -11.394 5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.038 -9.145 7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.979 -10.633 6.405 1.00 0.00 H new ATOM 397 N GLY A 30 3.668 -7.677 4.725 1.00 0.00 N ATOM 398 CA GLY A 30 2.751 -6.491 4.838 1.00 0.00 C ATOM 399 C GLY A 30 1.837 -6.338 3.606 1.00 0.00 C ATOM 400 O GLY A 30 0.671 -6.025 3.706 1.00 0.00 O ATOM 0 H GLY A 30 4.625 -7.505 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.137 -6.593 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.345 -5.586 4.961 1.00 0.00 H new ATOM 404 N VAL A 31 2.471 -6.578 2.494 1.00 0.00 N ATOM 405 CA VAL A 31 1.949 -6.547 1.080 1.00 0.00 C ATOM 406 C VAL A 31 0.947 -7.678 0.806 1.00 0.00 C ATOM 407 O VAL A 31 -0.196 -7.423 0.488 1.00 0.00 O ATOM 408 CB VAL A 31 3.217 -6.650 0.183 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.937 -7.132 -1.213 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.814 -5.295 0.028 1.00 0.00 C ATOM 0 H VAL A 31 3.460 -6.827 2.512 1.00 0.00 H new ATOM 0 HA VAL A 31 1.386 -5.636 0.877 1.00 0.00 H new ATOM 0 HB VAL A 31 3.871 -7.365 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.869 -7.177 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.489 -8.125 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.249 -6.444 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.703 -5.359 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.088 -4.629 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.089 -4.904 1.008 1.00 0.00 H new ATOM 420 N ARG A 32 1.425 -8.891 0.914 1.00 0.00 N ATOM 421 CA ARG A 32 0.587 -10.119 0.692 1.00 0.00 C ATOM 422 C ARG A 32 -0.660 -9.880 1.590 1.00 0.00 C ATOM 423 O ARG A 32 -1.813 -10.048 1.203 1.00 0.00 O ATOM 424 CB ARG A 32 1.511 -11.298 1.111 1.00 0.00 C ATOM 425 CG ARG A 32 1.532 -12.461 0.084 1.00 0.00 C ATOM 426 CD ARG A 32 0.152 -13.092 -0.088 1.00 0.00 C ATOM 427 NE ARG A 32 0.406 -14.201 -1.071 1.00 0.00 N ATOM 428 CZ ARG A 32 -0.083 -15.380 -0.974 1.00 0.00 C ATOM 429 NH1 ARG A 32 -1.294 -15.537 -0.609 1.00 0.00 N ATOM 430 NH2 ARG A 32 0.679 -16.350 -1.256 1.00 0.00 N ATOM 0 H ARG A 32 2.395 -9.092 1.155 1.00 0.00 H new ATOM 0 HA ARG A 32 0.233 -10.335 -0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.526 -10.924 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.182 -11.682 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.884 -12.090 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.241 -13.222 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.239 -13.472 0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.575 -12.374 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 32 1.009 -14.000 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.872 -14.724 -0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.686 -16.476 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.641 -16.175 -1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.331 -17.307 -1.193 1.00 0.00 H new ATOM 444 N ASP A 33 -0.315 -9.461 2.790 1.00 0.00 N ATOM 445 CA ASP A 33 -1.339 -9.153 3.816 1.00 0.00 C ATOM 446 C ASP A 33 -2.230 -8.116 3.128 1.00 0.00 C ATOM 447 O ASP A 33 -3.237 -8.502 2.598 1.00 0.00 O ATOM 448 CB ASP A 33 -0.713 -8.511 5.081 1.00 0.00 C ATOM 449 CG ASP A 33 -0.896 -9.204 6.414 1.00 0.00 C ATOM 450 OD1 ASP A 33 -1.252 -10.368 6.433 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.662 -8.456 7.357 1.00 0.00 O ATOM 0 H ASP A 33 0.648 -9.321 3.094 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.860 -10.051 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.358 -8.410 4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.117 -7.503 5.174 1.00 0.00 H new ATOM 456 N LEU A 34 -1.866 -6.859 3.127 1.00 0.00 N ATOM 457 CA LEU A 34 -2.662 -5.778 2.489 1.00 0.00 C ATOM 458 C LEU A 34 -3.491 -6.262 1.314 1.00 0.00 C ATOM 459 O LEU A 34 -4.674 -6.004 1.315 1.00 0.00 O ATOM 460 CB LEU A 34 -1.642 -4.670 2.112 1.00 0.00 C ATOM 461 CG LEU A 34 -1.658 -3.419 3.054 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.185 -2.155 2.368 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.562 -3.525 4.251 1.00 0.00 C ATOM 0 H LEU A 34 -1.006 -6.528 3.566 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.415 -5.390 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.640 -5.100 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.842 -4.342 1.092 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.607 -3.369 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.170 -1.325 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.553 -1.915 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.207 -2.324 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.499 -2.608 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.589 -3.674 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.253 -4.370 4.866 1.00 0.00 H new ATOM 475 N HIS A 35 -2.902 -6.927 0.350 1.00 0.00 N ATOM 476 CA HIS A 35 -3.719 -7.418 -0.818 1.00 0.00 C ATOM 477 C HIS A 35 -4.987 -8.130 -0.311 1.00 0.00 C ATOM 478 O HIS A 35 -6.095 -7.829 -0.724 1.00 0.00 O ATOM 479 CB HIS A 35 -2.780 -8.363 -1.653 1.00 0.00 C ATOM 480 CG HIS A 35 -3.461 -9.426 -2.562 1.00 0.00 C ATOM 481 ND1 HIS A 35 -2.808 -10.143 -3.423 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.768 -9.890 -2.703 1.00 0.00 C ATOM 483 CE1 HIS A 35 -3.605 -10.965 -4.033 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.833 -10.840 -3.614 1.00 0.00 N ATOM 0 H HIS A 35 -1.908 -7.151 0.315 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.068 -6.602 -1.451 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.146 -7.738 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.123 -8.885 -0.958 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.806 -10.071 -3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.613 -9.521 -2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.290 -11.665 -4.793 1.00 0.00 H new ATOM 492 N ASN A 36 -4.733 -9.043 0.602 1.00 0.00 N ATOM 493 CA ASN A 36 -5.782 -9.893 1.253 1.00 0.00 C ATOM 494 C ASN A 36 -6.431 -9.283 2.520 1.00 0.00 C ATOM 495 O ASN A 36 -7.497 -9.680 2.947 1.00 0.00 O ATOM 496 CB ASN A 36 -5.014 -11.227 1.496 1.00 0.00 C ATOM 497 CG ASN A 36 -5.722 -12.284 2.332 1.00 0.00 C ATOM 498 OD1 ASN A 36 -6.838 -12.685 2.096 1.00 0.00 O ATOM 499 ND2 ASN A 36 -5.082 -12.787 3.342 1.00 0.00 N ATOM 0 H ASN A 36 -3.790 -9.240 0.937 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.670 -10.013 0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.777 -11.664 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.066 -10.990 1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.521 -13.505 3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.139 -12.464 3.560 1.00 0.00 H new ATOM 506 N GLN A 37 -5.770 -8.312 3.067 1.00 0.00 N ATOM 507 CA GLN A 37 -6.224 -7.608 4.305 1.00 0.00 C ATOM 508 C GLN A 37 -7.069 -6.359 4.063 1.00 0.00 C ATOM 509 O GLN A 37 -7.979 -6.087 4.815 1.00 0.00 O ATOM 510 CB GLN A 37 -5.011 -7.151 5.139 1.00 0.00 C ATOM 511 CG GLN A 37 -4.070 -8.293 5.579 1.00 0.00 C ATOM 512 CD GLN A 37 -4.526 -9.031 6.828 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.232 -8.543 7.684 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.122 -10.243 6.964 1.00 0.00 N ATOM 0 H GLN A 37 -4.890 -7.956 2.693 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.841 -8.347 4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.438 -6.429 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.371 -6.632 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.978 -9.008 4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.076 -7.882 5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.528 -10.665 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.396 -10.783 7.785 1.00 0.00 H new ATOM 523 N ALA A 38 -6.749 -5.643 3.024 1.00 0.00 N ATOM 524 CA ALA A 38 -7.439 -4.381 2.630 1.00 0.00 C ATOM 525 C ALA A 38 -8.715 -4.656 1.799 1.00 0.00 C ATOM 526 O ALA A 38 -9.096 -3.939 0.892 1.00 0.00 O ATOM 527 CB ALA A 38 -6.305 -3.579 1.889 1.00 0.00 C ATOM 0 H ALA A 38 -5.989 -5.899 2.393 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.841 -3.804 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.699 -2.621 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.474 -3.407 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.955 -4.152 1.030 1.00 0.00 H new ATOM 533 N GLN A 39 -9.333 -5.737 2.190 1.00 0.00 N ATOM 534 CA GLN A 39 -10.593 -6.253 1.580 1.00 0.00 C ATOM 535 C GLN A 39 -11.710 -6.171 2.653 1.00 0.00 C ATOM 536 O GLN A 39 -12.518 -7.074 2.780 1.00 0.00 O ATOM 537 CB GLN A 39 -10.355 -7.722 1.150 1.00 0.00 C ATOM 538 CG GLN A 39 -9.117 -7.865 0.222 1.00 0.00 C ATOM 539 CD GLN A 39 -9.005 -9.319 -0.248 1.00 0.00 C ATOM 540 OE1 GLN A 39 -9.095 -9.618 -1.418 1.00 0.00 O ATOM 541 NE2 GLN A 39 -8.810 -10.264 0.625 1.00 0.00 N ATOM 0 H GLN A 39 -8.992 -6.318 2.956 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.888 -5.670 0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.217 -8.341 2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.239 -8.096 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.212 -7.199 -0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.212 -7.572 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.731 -10.035 1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.736 -11.234 0.319 1.00 0.00 H new ATOM 550 N SER A 40 -11.741 -5.092 3.397 1.00 0.00 N ATOM 551 CA SER A 40 -12.798 -4.953 4.460 1.00 0.00 C ATOM 552 C SER A 40 -13.923 -4.100 3.864 1.00 0.00 C ATOM 553 O SER A 40 -15.034 -4.559 3.680 1.00 0.00 O ATOM 554 CB SER A 40 -12.148 -4.277 5.731 1.00 0.00 C ATOM 555 OG SER A 40 -11.974 -2.889 5.449 1.00 0.00 O ATOM 0 H SER A 40 -11.092 -4.309 3.320 1.00 0.00 H new ATOM 0 HA SER A 40 -13.207 -5.914 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.787 -4.412 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.190 -4.742 5.963 1.00 0.00 H new ATOM 0 HG SER A 40 -11.333 -2.782 4.716 1.00 0.00 H new ATOM 561 N SER A 41 -13.598 -2.877 3.573 1.00 0.00 N ATOM 562 CA SER A 41 -14.594 -1.928 2.974 1.00 0.00 C ATOM 563 C SER A 41 -14.016 -1.346 1.671 1.00 0.00 C ATOM 564 O SER A 41 -14.491 -0.357 1.151 1.00 0.00 O ATOM 565 CB SER A 41 -14.870 -0.832 4.003 1.00 0.00 C ATOM 566 OG SER A 41 -15.884 -0.057 3.375 1.00 0.00 O ATOM 0 H SER A 41 -12.671 -2.480 3.724 1.00 0.00 H new ATOM 0 HA SER A 41 -15.529 -2.432 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.207 -1.245 4.953 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.979 -0.240 4.211 1.00 0.00 H new ATOM 0 HG SER A 41 -15.611 0.158 2.459 1.00 0.00 H new ATOM 572 N GLY A 42 -12.995 -2.020 1.208 1.00 0.00 N ATOM 573 CA GLY A 42 -12.266 -1.641 -0.051 1.00 0.00 C ATOM 574 C GLY A 42 -10.941 -0.935 0.243 1.00 0.00 C ATOM 575 O GLY A 42 -10.334 -0.404 -0.659 1.00 0.00 O ATOM 0 H GLY A 42 -12.619 -2.850 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.076 -2.536 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.898 -0.989 -0.653 1.00 0.00 H new ATOM 579 N ASP A 43 -10.508 -0.940 1.470 1.00 0.00 N ATOM 580 CA ASP A 43 -9.230 -0.287 1.922 1.00 0.00 C ATOM 581 C ASP A 43 -8.202 0.127 0.836 1.00 0.00 C ATOM 582 O ASP A 43 -7.909 1.297 0.764 1.00 0.00 O ATOM 583 CB ASP A 43 -8.567 -1.236 2.885 1.00 0.00 C ATOM 584 CG ASP A 43 -9.523 -1.749 3.927 1.00 0.00 C ATOM 585 OD1 ASP A 43 -10.291 -2.610 3.521 1.00 0.00 O ATOM 586 OD2 ASP A 43 -9.453 -1.278 5.047 1.00 0.00 O ATOM 0 H ASP A 43 -11.014 -1.396 2.229 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.533 0.667 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.148 -2.077 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.735 -0.731 3.375 1.00 0.00 H new ATOM 591 N ARG A 44 -7.672 -0.764 0.023 1.00 0.00 N ATOM 592 CA ARG A 44 -6.665 -0.365 -1.036 1.00 0.00 C ATOM 593 C ARG A 44 -7.082 0.808 -1.988 1.00 0.00 C ATOM 594 O ARG A 44 -6.256 1.420 -2.639 1.00 0.00 O ATOM 595 CB ARG A 44 -6.311 -1.563 -1.928 1.00 0.00 C ATOM 596 CG ARG A 44 -7.014 -2.862 -1.649 1.00 0.00 C ATOM 597 CD ARG A 44 -8.468 -2.693 -1.997 1.00 0.00 C ATOM 598 NE ARG A 44 -9.091 -4.014 -1.719 1.00 0.00 N ATOM 599 CZ ARG A 44 -9.246 -4.764 -2.724 1.00 0.00 C ATOM 600 NH1 ARG A 44 -10.087 -4.350 -3.570 1.00 0.00 N ATOM 601 NH2 ARG A 44 -8.563 -5.834 -2.822 1.00 0.00 N ATOM 0 H ARG A 44 -7.893 -1.760 0.044 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.821 -0.009 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.514 -1.285 -2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.238 -1.737 -1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.573 -3.667 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.903 -3.137 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.928 -1.907 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.593 -2.411 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.374 -4.296 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.580 -3.471 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.274 -4.895 -4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.895 -6.082 -2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.684 -6.444 -3.631 1.00 0.00 H new ATOM 615 N GLN A 45 -8.368 1.048 -2.027 1.00 0.00 N ATOM 616 CA GLN A 45 -9.004 2.128 -2.857 1.00 0.00 C ATOM 617 C GLN A 45 -8.974 3.463 -2.083 1.00 0.00 C ATOM 618 O GLN A 45 -9.101 4.535 -2.634 1.00 0.00 O ATOM 619 CB GLN A 45 -10.468 1.750 -3.152 1.00 0.00 C ATOM 620 CG GLN A 45 -10.641 1.114 -4.531 1.00 0.00 C ATOM 621 CD GLN A 45 -10.269 -0.360 -4.664 1.00 0.00 C ATOM 622 OE1 GLN A 45 -10.385 -1.197 -3.789 1.00 0.00 O ATOM 623 NE2 GLN A 45 -9.810 -0.718 -5.813 1.00 0.00 N ATOM 0 H GLN A 45 -9.044 0.508 -1.486 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.453 2.235 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.822 1.057 -2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.091 2.642 -3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.683 1.229 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.041 1.681 -5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.706 -0.029 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.550 -1.690 -5.978 1.00 0.00 H new ATOM 632 N THR A 46 -8.801 3.310 -0.807 1.00 0.00 N ATOM 633 CA THR A 46 -8.722 4.436 0.187 1.00 0.00 C ATOM 634 C THR A 46 -7.185 4.695 0.165 1.00 0.00 C ATOM 635 O THR A 46 -6.706 5.799 -0.070 1.00 0.00 O ATOM 636 CB THR A 46 -9.274 3.898 1.588 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.418 4.669 1.973 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.286 4.140 2.714 1.00 0.00 C ATOM 0 H THR A 46 -8.704 2.391 -0.375 1.00 0.00 H new ATOM 0 HA THR A 46 -9.300 5.339 -0.011 1.00 0.00 H new ATOM 0 HB THR A 46 -9.477 2.836 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.760 4.341 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.699 3.760 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.351 3.625 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.097 5.209 2.809 1.00 0.00 H new ATOM 646 N VAL A 47 -6.472 3.617 0.405 1.00 0.00 N ATOM 647 CA VAL A 47 -4.981 3.628 0.422 1.00 0.00 C ATOM 648 C VAL A 47 -4.544 4.428 -0.805 1.00 0.00 C ATOM 649 O VAL A 47 -3.795 5.358 -0.641 1.00 0.00 O ATOM 650 CB VAL A 47 -4.480 2.163 0.379 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.541 1.865 -0.797 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.731 1.884 1.641 1.00 0.00 C ATOM 0 H VAL A 47 -6.882 2.703 0.595 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.565 4.086 1.319 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.361 1.533 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.232 0.820 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.061 2.057 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.662 2.506 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.370 0.856 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.884 2.566 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.392 2.027 2.496 1.00 0.00 H new ATOM 662 N CYS A 48 -5.013 4.027 -1.969 1.00 0.00 N ATOM 663 CA CYS A 48 -4.679 4.729 -3.239 1.00 0.00 C ATOM 664 C CYS A 48 -4.561 6.229 -2.955 1.00 0.00 C ATOM 665 O CYS A 48 -3.505 6.793 -3.085 1.00 0.00 O ATOM 666 CB CYS A 48 -5.797 4.393 -4.188 1.00 0.00 C ATOM 667 SG CYS A 48 -6.091 5.493 -5.581 1.00 0.00 S ATOM 0 H CYS A 48 -5.628 3.222 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.727 4.425 -3.675 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.608 3.396 -4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.719 4.335 -3.609 1.00 0.00 H new ATOM 672 N ASN A 49 -5.646 6.828 -2.571 1.00 0.00 N ATOM 673 CA ASN A 49 -5.697 8.289 -2.241 1.00 0.00 C ATOM 674 C ASN A 49 -4.581 8.672 -1.233 1.00 0.00 C ATOM 675 O ASN A 49 -3.942 9.700 -1.374 1.00 0.00 O ATOM 676 CB ASN A 49 -7.126 8.525 -1.718 1.00 0.00 C ATOM 677 CG ASN A 49 -8.001 8.119 -2.897 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.754 7.077 -2.846 1.00 0.00 O flip ATOM 679 ND2 ASN A 49 -8.014 8.742 -3.934 1.00 0.00 N flip ATOM 0 H ASN A 49 -6.541 6.351 -2.466 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.502 8.931 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.336 7.922 -0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.285 9.566 -1.438 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.438 9.578 -4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.601 8.432 -4.708 1.00 0.00 H new ATOM 686 N CYS A 50 -4.357 7.845 -0.237 1.00 0.00 N ATOM 687 CA CYS A 50 -3.271 8.188 0.753 1.00 0.00 C ATOM 688 C CYS A 50 -1.927 8.202 -0.061 1.00 0.00 C ATOM 689 O CYS A 50 -1.127 9.126 -0.004 1.00 0.00 O ATOM 690 CB CYS A 50 -3.235 7.095 1.891 1.00 0.00 C ATOM 691 SG CYS A 50 -4.742 6.214 2.390 1.00 0.00 S ATOM 0 H CYS A 50 -4.858 6.973 -0.065 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.439 9.152 1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.510 6.340 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.837 7.577 2.784 1.00 0.00 H new ATOM 696 N LEU A 51 -1.724 7.152 -0.820 1.00 0.00 N ATOM 697 CA LEU A 51 -0.492 7.002 -1.670 1.00 0.00 C ATOM 698 C LEU A 51 -0.388 8.276 -2.497 1.00 0.00 C ATOM 699 O LEU A 51 0.564 9.012 -2.380 1.00 0.00 O ATOM 700 CB LEU A 51 -0.631 5.757 -2.597 1.00 0.00 C ATOM 701 CG LEU A 51 -1.022 4.487 -1.808 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.705 3.247 -2.633 1.00 0.00 C ATOM 703 CD2 LEU A 51 -0.337 4.417 -0.455 1.00 0.00 C ATOM 0 H LEU A 51 -2.376 6.371 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 51 0.400 6.856 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.384 5.956 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.312 5.585 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.094 4.532 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.983 2.355 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.267 3.278 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.362 3.219 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.643 3.507 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.744 4.408 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.619 5.285 0.141 1.00 0.00 H new ATOM 715 N LYS A 52 -1.384 8.491 -3.315 1.00 0.00 N ATOM 716 CA LYS A 52 -1.503 9.676 -4.203 1.00 0.00 C ATOM 717 C LYS A 52 -1.061 10.945 -3.461 1.00 0.00 C ATOM 718 O LYS A 52 -0.235 11.715 -3.915 1.00 0.00 O ATOM 719 CB LYS A 52 -2.969 9.766 -4.624 1.00 0.00 C ATOM 720 CG LYS A 52 -3.369 8.579 -5.521 1.00 0.00 C ATOM 721 CD LYS A 52 -4.711 8.907 -6.193 1.00 0.00 C ATOM 722 CE LYS A 52 -4.426 9.560 -7.540 1.00 0.00 C ATOM 723 NZ LYS A 52 -4.934 8.652 -8.603 1.00 0.00 N ATOM 0 H LYS A 52 -2.169 7.845 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.860 9.580 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.603 9.785 -3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.139 10.701 -5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.602 8.398 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.455 7.668 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.300 8.000 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.297 9.576 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.914 10.533 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.357 9.731 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.224 8.571 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.117 7.712 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.816 9.037 -8.996 1.00 0.00 H new ATOM 737 N GLY A 53 -1.624 11.135 -2.295 1.00 0.00 N ATOM 738 CA GLY A 53 -1.270 12.348 -1.497 1.00 0.00 C ATOM 739 C GLY A 53 0.189 12.400 -1.110 1.00 0.00 C ATOM 740 O GLY A 53 0.776 13.455 -1.224 1.00 0.00 O ATOM 0 H GLY A 53 -2.306 10.511 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.519 13.239 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.880 12.372 -0.594 1.00 0.00 H new ATOM 744 N ILE A 54 0.785 11.339 -0.654 1.00 0.00 N ATOM 745 CA ILE A 54 2.236 11.503 -0.310 1.00 0.00 C ATOM 746 C ILE A 54 3.031 11.593 -1.624 1.00 0.00 C ATOM 747 O ILE A 54 3.840 12.490 -1.815 1.00 0.00 O ATOM 748 CB ILE A 54 2.642 10.301 0.559 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.906 10.750 1.335 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.989 9.022 -0.242 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.249 9.755 2.435 1.00 0.00 C ATOM 0 H ILE A 54 0.372 10.418 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 54 2.440 12.412 0.256 1.00 0.00 H new ATOM 0 HB ILE A 54 1.797 10.034 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.747 10.842 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.740 11.736 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.264 8.224 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.123 8.713 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.825 9.227 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.140 10.092 2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.416 9.684 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.438 8.776 1.994 1.00 0.00 H new ATOM 763 N ALA A 55 2.743 10.640 -2.478 1.00 0.00 N ATOM 764 CA ALA A 55 3.361 10.492 -3.835 1.00 0.00 C ATOM 765 C ALA A 55 3.534 11.894 -4.398 1.00 0.00 C ATOM 766 O ALA A 55 4.591 12.254 -4.872 1.00 0.00 O ATOM 767 CB ALA A 55 2.412 9.640 -4.689 1.00 0.00 C ATOM 0 H ALA A 55 2.059 9.912 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 55 4.333 9.999 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.834 9.513 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.282 8.663 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.445 10.138 -4.765 1.00 0.00 H new ATOM 773 N ARG A 56 2.429 12.596 -4.285 1.00 0.00 N ATOM 774 CA ARG A 56 2.230 13.999 -4.716 1.00 0.00 C ATOM 775 C ARG A 56 3.549 14.749 -4.884 1.00 0.00 C ATOM 776 O ARG A 56 3.793 15.384 -5.888 1.00 0.00 O ATOM 777 CB ARG A 56 1.367 14.642 -3.670 1.00 0.00 C ATOM 778 CG ARG A 56 0.927 16.043 -4.106 1.00 0.00 C ATOM 779 CD ARG A 56 0.258 16.684 -2.909 1.00 0.00 C ATOM 780 NE ARG A 56 -0.957 15.873 -2.572 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.451 15.857 -1.394 1.00 0.00 C ATOM 782 NH1 ARG A 56 -0.770 15.340 -0.461 1.00 0.00 N ATOM 783 NH2 ARG A 56 -2.600 16.368 -1.228 1.00 0.00 N ATOM 0 H ARG A 56 1.586 12.199 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 56 1.757 14.030 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.489 14.022 -3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.915 14.705 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.783 16.633 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.239 15.987 -4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.942 16.716 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.021 17.714 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.402 15.319 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.151 14.948 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.142 15.315 0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.097 16.773 -2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.027 16.374 -0.302 1.00 0.00 H new ATOM 797 N GLY A 57 4.334 14.625 -3.841 1.00 0.00 N ATOM 798 CA GLY A 57 5.682 15.266 -3.755 1.00 0.00 C ATOM 799 C GLY A 57 6.812 14.283 -3.435 1.00 0.00 C ATOM 800 O GLY A 57 7.858 14.402 -4.032 1.00 0.00 O ATOM 0 H GLY A 57 4.083 14.083 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.900 15.761 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.658 16.040 -2.988 1.00 0.00 H new ATOM 804 N ILE A 58 6.564 13.350 -2.539 1.00 0.00 N ATOM 805 CA ILE A 58 7.580 12.310 -2.097 1.00 0.00 C ATOM 806 C ILE A 58 9.099 12.608 -2.244 1.00 0.00 C ATOM 807 O ILE A 58 9.568 13.713 -2.393 1.00 0.00 O ATOM 808 CB ILE A 58 7.141 10.930 -2.845 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.204 10.199 -1.831 1.00 0.00 C ATOM 810 CG2 ILE A 58 8.240 9.910 -3.374 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.141 8.678 -2.067 1.00 0.00 C ATOM 0 H ILE A 58 5.662 13.258 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 58 7.530 12.272 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 58 6.701 11.250 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.554 10.391 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.200 10.616 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.749 9.056 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.876 10.408 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.850 9.566 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.475 8.223 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.764 8.481 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.139 8.252 -1.964 1.00 0.00 H new ATOM 823 N HIS A 59 9.865 11.568 -2.147 1.00 0.00 N ATOM 824 CA HIS A 59 11.355 11.611 -2.258 1.00 0.00 C ATOM 825 C HIS A 59 11.936 11.073 -3.618 1.00 0.00 C ATOM 826 O HIS A 59 12.186 11.856 -4.513 1.00 0.00 O ATOM 827 CB HIS A 59 11.772 10.821 -1.021 1.00 0.00 C ATOM 828 CG HIS A 59 13.258 10.967 -0.763 1.00 0.00 C ATOM 829 ND1 HIS A 59 14.262 10.027 -0.694 1.00 0.00 N flip ATOM 830 CD2 HIS A 59 13.846 12.095 -0.550 1.00 0.00 C flip ATOM 831 CE1 HIS A 59 15.413 10.616 -0.442 1.00 0.00 C flip ATOM 832 NE2 HIS A 59 15.114 11.890 -0.361 1.00 0.00 N flip ATOM 0 H HIS A 59 9.501 10.629 -1.985 1.00 0.00 H new ATOM 0 HA HIS A 59 11.759 12.623 -2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.212 11.172 -0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.524 9.768 -1.156 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.360 13.059 -0.532 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.383 10.154 -0.328 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.793 12.628 -0.173 1.00 0.00 H new ATOM 840 N ASN A 60 12.133 9.777 -3.738 1.00 0.00 N ATOM 841 CA ASN A 60 12.683 9.174 -5.008 1.00 0.00 C ATOM 842 C ASN A 60 11.846 8.005 -5.563 1.00 0.00 C ATOM 843 O ASN A 60 12.296 6.878 -5.602 1.00 0.00 O ATOM 844 CB ASN A 60 14.117 8.694 -4.724 1.00 0.00 C ATOM 845 CG ASN A 60 15.001 9.895 -4.566 1.00 0.00 C ATOM 846 OD1 ASN A 60 15.423 10.217 -3.393 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 15.332 10.579 -5.504 1.00 0.00 N flip ATOM 0 H ASN A 60 11.934 9.100 -3.001 1.00 0.00 H new ATOM 0 HA ASN A 60 12.655 9.948 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.140 8.086 -3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.474 8.066 -5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.011 10.346 -6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.932 11.390 -5.357 1.00 0.00 H new ATOM 854 N LEU A 61 10.646 8.277 -5.984 1.00 0.00 N ATOM 855 CA LEU A 61 9.812 7.163 -6.527 1.00 0.00 C ATOM 856 C LEU A 61 10.512 6.248 -7.579 1.00 0.00 C ATOM 857 O LEU A 61 10.691 6.584 -8.735 1.00 0.00 O ATOM 858 CB LEU A 61 8.536 7.785 -7.116 1.00 0.00 C ATOM 859 CG LEU A 61 7.712 6.710 -7.864 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.420 5.486 -6.960 1.00 0.00 C ATOM 861 CD2 LEU A 61 6.379 7.338 -8.243 1.00 0.00 C ATOM 0 H LEU A 61 10.210 9.199 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 61 9.601 6.489 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.936 8.224 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.799 8.593 -7.799 1.00 0.00 H new ATOM 0 HG LEU A 61 8.277 6.373 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.840 4.752 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.360 5.038 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.854 5.806 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.770 6.606 -8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.858 7.658 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.553 8.200 -8.886 1.00 0.00 H new ATOM 873 N ASN A 62 10.881 5.096 -7.111 1.00 0.00 N ATOM 874 CA ASN A 62 11.558 4.068 -7.925 1.00 0.00 C ATOM 875 C ASN A 62 10.412 3.123 -8.355 1.00 0.00 C ATOM 876 O ASN A 62 10.316 1.966 -7.975 1.00 0.00 O ATOM 877 CB ASN A 62 12.585 3.472 -6.970 1.00 0.00 C ATOM 878 CG ASN A 62 13.564 2.629 -7.734 1.00 0.00 C ATOM 879 OD1 ASN A 62 13.222 1.789 -8.534 1.00 0.00 O ATOM 880 ND2 ASN A 62 14.827 2.806 -7.534 1.00 0.00 N ATOM 0 H ASN A 62 10.730 4.815 -6.142 1.00 0.00 H new ATOM 0 HA ASN A 62 12.086 4.375 -8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.111 4.269 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.084 2.868 -6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.508 2.244 -8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.144 3.508 -6.865 1.00 0.00 H new ATOM 887 N LEU A 63 9.535 3.694 -9.144 1.00 0.00 N ATOM 888 CA LEU A 63 8.367 2.906 -9.641 1.00 0.00 C ATOM 889 C LEU A 63 8.788 1.498 -10.082 1.00 0.00 C ATOM 890 O LEU A 63 8.090 0.552 -9.812 1.00 0.00 O ATOM 891 CB LEU A 63 7.700 3.642 -10.829 1.00 0.00 C ATOM 892 CG LEU A 63 6.491 2.785 -11.373 1.00 0.00 C ATOM 893 CD1 LEU A 63 5.515 3.720 -12.034 1.00 0.00 C ATOM 894 CD2 LEU A 63 6.919 1.845 -12.505 1.00 0.00 C ATOM 0 H LEU A 63 9.577 4.662 -9.462 1.00 0.00 H new ATOM 0 HA LEU A 63 7.656 2.809 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.349 4.623 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.428 3.806 -11.623 1.00 0.00 H new ATOM 0 HG LEU A 63 6.089 2.226 -10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.669 3.150 -12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.160 4.450 -11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.008 4.238 -12.857 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.057 1.274 -12.850 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.321 2.431 -13.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.685 1.160 -12.140 1.00 0.00 H new ATOM 906 N ASN A 64 9.905 1.379 -10.748 1.00 0.00 N ATOM 907 CA ASN A 64 10.390 0.026 -11.212 1.00 0.00 C ATOM 908 C ASN A 64 10.378 -0.934 -9.992 1.00 0.00 C ATOM 909 O ASN A 64 9.897 -2.053 -10.028 1.00 0.00 O ATOM 910 CB ASN A 64 11.816 0.217 -11.798 1.00 0.00 C ATOM 911 CG ASN A 64 11.789 1.437 -12.714 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.676 2.555 -12.258 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.878 1.313 -13.995 1.00 0.00 N ATOM 0 H ASN A 64 10.513 2.159 -10.997 1.00 0.00 H new ATOM 0 HA ASN A 64 9.754 -0.406 -11.985 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.542 0.358 -10.997 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.122 -0.670 -12.353 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.852 2.141 -14.591 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.974 0.387 -14.412 1.00 0.00 H new ATOM 920 N ASN A 65 10.925 -0.443 -8.913 1.00 0.00 N ATOM 921 CA ASN A 65 10.985 -1.235 -7.651 1.00 0.00 C ATOM 922 C ASN A 65 9.530 -1.516 -7.195 1.00 0.00 C ATOM 923 O ASN A 65 9.184 -2.639 -6.876 1.00 0.00 O ATOM 924 CB ASN A 65 11.850 -0.358 -6.678 1.00 0.00 C ATOM 925 CG ASN A 65 11.174 0.125 -5.409 1.00 0.00 C ATOM 926 OD1 ASN A 65 9.985 0.194 -5.221 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.841 0.523 -4.398 1.00 0.00 N ATOM 0 H ASN A 65 11.339 0.487 -8.852 1.00 0.00 H new ATOM 0 HA ASN A 65 11.448 -2.219 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.732 -0.933 -6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.202 0.514 -7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.355 0.848 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.861 0.516 -4.425 1.00 0.00 H new ATOM 934 N ALA A 66 8.732 -0.484 -7.197 1.00 0.00 N ATOM 935 CA ALA A 66 7.292 -0.587 -6.779 1.00 0.00 C ATOM 936 C ALA A 66 6.565 -1.681 -7.599 1.00 0.00 C ATOM 937 O ALA A 66 5.913 -2.558 -7.062 1.00 0.00 O ATOM 938 CB ALA A 66 6.660 0.806 -6.987 1.00 0.00 C ATOM 0 H ALA A 66 9.020 0.454 -7.477 1.00 0.00 H new ATOM 0 HA ALA A 66 7.204 -0.880 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.610 0.777 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.186 1.539 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.736 1.087 -8.037 1.00 0.00 H new ATOM 944 N ALA A 67 6.719 -1.596 -8.895 1.00 0.00 N ATOM 945 CA ALA A 67 6.117 -2.553 -9.876 1.00 0.00 C ATOM 946 C ALA A 67 6.805 -3.910 -9.688 1.00 0.00 C ATOM 947 O ALA A 67 6.357 -4.925 -10.183 1.00 0.00 O ATOM 948 CB ALA A 67 6.349 -2.028 -11.317 1.00 0.00 C ATOM 0 H ALA A 67 7.269 -0.860 -9.337 1.00 0.00 H new ATOM 0 HA ALA A 67 5.044 -2.652 -9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.911 -2.724 -12.033 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.880 -1.050 -11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.419 -1.940 -11.504 1.00 0.00 H new ATOM 954 N SER A 68 7.892 -3.889 -8.972 1.00 0.00 N ATOM 955 CA SER A 68 8.658 -5.132 -8.697 1.00 0.00 C ATOM 956 C SER A 68 8.249 -5.587 -7.285 1.00 0.00 C ATOM 957 O SER A 68 8.624 -6.663 -6.857 1.00 0.00 O ATOM 958 CB SER A 68 10.159 -4.796 -8.797 1.00 0.00 C ATOM 959 OG SER A 68 10.826 -6.022 -8.495 1.00 0.00 O ATOM 0 H SER A 68 8.289 -3.045 -8.558 1.00 0.00 H new ATOM 0 HA SER A 68 8.454 -5.936 -9.404 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.419 -4.439 -9.793 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.437 -4.011 -8.094 1.00 0.00 H new ATOM 0 HG SER A 68 11.796 -5.887 -8.541 1.00 0.00 H new ATOM 965 N ILE A 69 7.478 -4.782 -6.567 1.00 0.00 N ATOM 966 CA ILE A 69 7.079 -5.244 -5.184 1.00 0.00 C ATOM 967 C ILE A 69 6.334 -6.583 -5.387 1.00 0.00 C ATOM 968 O ILE A 69 6.666 -7.547 -4.735 1.00 0.00 O ATOM 969 CB ILE A 69 6.102 -4.225 -4.436 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.814 -3.119 -3.585 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.253 -5.032 -3.403 1.00 0.00 C ATOM 972 CD1 ILE A 69 5.826 -1.962 -3.434 1.00 0.00 C ATOM 0 H ILE A 69 7.124 -3.871 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 69 7.971 -5.327 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 69 5.537 -3.740 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.102 -3.510 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.728 -2.784 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.578 -4.355 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.672 -5.793 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.916 -5.512 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.284 -1.167 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.562 -1.578 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.927 -2.315 -2.929 1.00 0.00 H new ATOM 984 N PRO A 70 5.358 -6.664 -6.270 1.00 0.00 N ATOM 985 CA PRO A 70 4.448 -7.843 -6.317 1.00 0.00 C ATOM 986 C PRO A 70 5.180 -9.133 -6.650 1.00 0.00 C ATOM 987 O PRO A 70 4.987 -10.148 -6.006 1.00 0.00 O ATOM 988 CB PRO A 70 3.379 -7.486 -7.374 1.00 0.00 C ATOM 989 CG PRO A 70 3.502 -5.952 -7.549 1.00 0.00 C ATOM 990 CD PRO A 70 4.989 -5.662 -7.316 1.00 0.00 C ATOM 0 HA PRO A 70 4.000 -8.037 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.560 -8.008 -8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.381 -7.768 -7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.187 -5.639 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.876 -5.419 -6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.575 -5.792 -8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.154 -4.640 -6.974 1.00 0.00 H new ATOM 998 N SER A 71 5.983 -8.990 -7.667 1.00 0.00 N ATOM 999 CA SER A 71 6.829 -10.098 -8.223 1.00 0.00 C ATOM 1000 C SER A 71 7.799 -10.618 -7.174 1.00 0.00 C ATOM 1001 O SER A 71 8.041 -11.802 -7.038 1.00 0.00 O ATOM 1002 CB SER A 71 7.582 -9.543 -9.415 1.00 0.00 C ATOM 1003 OG SER A 71 6.526 -9.064 -10.238 1.00 0.00 O ATOM 0 H SER A 71 6.096 -8.106 -8.163 1.00 0.00 H new ATOM 0 HA SER A 71 6.201 -10.936 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.269 -8.747 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.174 -10.309 -9.916 1.00 0.00 H new ATOM 0 HG SER A 71 6.900 -8.673 -11.055 1.00 0.00 H new ATOM 1009 N LYS A 72 8.328 -9.652 -6.476 1.00 0.00 N ATOM 1010 CA LYS A 72 9.307 -9.881 -5.380 1.00 0.00 C ATOM 1011 C LYS A 72 8.606 -10.483 -4.137 1.00 0.00 C ATOM 1012 O LYS A 72 9.139 -11.354 -3.483 1.00 0.00 O ATOM 1013 CB LYS A 72 9.909 -8.493 -5.148 1.00 0.00 C ATOM 1014 CG LYS A 72 11.019 -8.459 -4.109 1.00 0.00 C ATOM 1015 CD LYS A 72 11.426 -6.969 -3.869 1.00 0.00 C ATOM 1016 CE LYS A 72 11.905 -6.233 -5.137 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.771 -5.514 -5.804 1.00 0.00 N ATOM 0 H LYS A 72 8.109 -8.668 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 72 10.084 -10.609 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.300 -8.117 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.116 -7.813 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.681 -8.914 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.878 -9.036 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.573 -6.434 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.219 -6.936 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.687 -5.521 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.345 -6.948 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.560 -5.968 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.929 -5.553 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.036 -4.521 -5.965 1.00 0.00 H new ATOM 1031 N CYS A 73 7.430 -9.982 -3.872 1.00 0.00 N ATOM 1032 CA CYS A 73 6.610 -10.426 -2.708 1.00 0.00 C ATOM 1033 C CYS A 73 5.401 -11.357 -2.924 1.00 0.00 C ATOM 1034 O CYS A 73 4.391 -11.177 -2.276 1.00 0.00 O ATOM 1035 CB CYS A 73 6.181 -9.136 -2.039 1.00 0.00 C ATOM 1036 SG CYS A 73 7.533 -8.145 -1.349 1.00 0.00 S ATOM 0 H CYS A 73 6.988 -9.256 -4.436 1.00 0.00 H new ATOM 0 HA CYS A 73 7.243 -11.092 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.640 -8.530 -2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.480 -9.375 -1.239 1.00 0.00 H new ATOM 1041 N ASN A 74 5.516 -12.313 -3.805 1.00 0.00 N ATOM 1042 CA ASN A 74 4.410 -13.303 -4.107 1.00 0.00 C ATOM 1043 C ASN A 74 2.983 -12.831 -3.674 1.00 0.00 C ATOM 1044 O ASN A 74 2.258 -13.479 -2.947 1.00 0.00 O ATOM 1045 CB ASN A 74 4.855 -14.643 -3.395 1.00 0.00 C ATOM 1046 CG ASN A 74 3.754 -15.696 -3.350 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.151 -15.968 -2.334 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.415 -16.347 -4.410 1.00 0.00 N ATOM 0 H ASN A 74 6.361 -12.464 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 74 4.295 -13.428 -5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.720 -15.054 -3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.174 -14.417 -2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.675 -17.047 -4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.887 -16.162 -5.295 1.00 0.00 H new ATOM 1055 N VAL A 75 2.615 -11.674 -4.144 1.00 0.00 N ATOM 1056 CA VAL A 75 1.249 -11.081 -3.806 1.00 0.00 C ATOM 1057 C VAL A 75 0.371 -10.866 -5.063 1.00 0.00 C ATOM 1058 O VAL A 75 -0.650 -10.216 -4.986 1.00 0.00 O ATOM 1059 CB VAL A 75 1.521 -9.714 -3.003 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.521 -8.921 -3.817 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.346 -8.783 -2.789 1.00 0.00 C ATOM 0 H VAL A 75 3.191 -11.094 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 75 0.676 -11.774 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 75 1.836 -10.034 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.738 -7.981 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.441 -9.496 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.105 -8.714 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.675 -7.904 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.054 -8.475 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.429 -9.300 -2.223 1.00 0.00 H new ATOM 1071 N ASN A 76 0.802 -11.430 -6.160 1.00 0.00 N ATOM 1072 CA ASN A 76 0.130 -11.369 -7.511 1.00 0.00 C ATOM 1073 C ASN A 76 -1.248 -10.665 -7.713 1.00 0.00 C ATOM 1074 O ASN A 76 -2.202 -11.245 -8.197 1.00 0.00 O ATOM 1075 CB ASN A 76 0.064 -12.847 -8.006 1.00 0.00 C ATOM 1076 CG ASN A 76 -0.314 -13.765 -6.856 1.00 0.00 C ATOM 1077 OD1 ASN A 76 0.457 -13.984 -5.945 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -1.471 -14.335 -6.824 1.00 0.00 N ATOM 0 H ASN A 76 1.663 -11.976 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 76 0.747 -10.679 -8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.667 -12.938 -8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.028 -13.145 -8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.715 -14.950 -6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.141 -14.171 -7.575 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.303 -9.421 -7.335 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.551 -8.611 -7.479 1.00 0.00 C ATOM 1087 C VAL A 77 -2.190 -7.529 -8.528 1.00 0.00 C ATOM 1088 O VAL A 77 -1.114 -6.958 -8.465 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.919 -7.992 -6.089 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.798 -7.133 -5.502 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.168 -7.108 -6.193 1.00 0.00 C ATOM 0 H VAL A 77 -0.519 -8.916 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.420 -9.186 -7.800 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.095 -8.844 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.113 -6.732 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.905 -7.743 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.576 -6.311 -6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.401 -6.691 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.982 -6.297 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.009 -7.707 -6.542 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.071 -7.268 -9.473 1.00 0.00 N ATOM 1102 CA PRO A 78 -2.790 -6.306 -10.591 1.00 0.00 C ATOM 1103 C PRO A 78 -2.662 -4.835 -10.125 1.00 0.00 C ATOM 1104 O PRO A 78 -2.198 -3.989 -10.856 1.00 0.00 O ATOM 1105 CB PRO A 78 -3.950 -6.574 -11.561 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.093 -6.927 -10.591 1.00 0.00 C ATOM 1107 CD PRO A 78 -4.437 -7.867 -9.586 1.00 0.00 C ATOM 0 HA PRO A 78 -1.818 -6.458 -11.059 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.185 -5.701 -12.170 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.729 -7.391 -12.248 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.494 -6.038 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.922 -7.409 -11.108 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.961 -7.878 -8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.406 -8.896 -9.945 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.088 -4.613 -8.916 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.102 -3.303 -8.164 1.00 0.00 C ATOM 1117 C TYR A 79 -2.728 -1.956 -8.854 1.00 0.00 C ATOM 1118 O TYR A 79 -2.142 -1.085 -8.238 1.00 0.00 O ATOM 1119 CB TYR A 79 -2.180 -3.556 -6.979 1.00 0.00 C ATOM 1120 CG TYR A 79 -2.386 -2.551 -5.903 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -3.619 -2.541 -5.365 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -1.410 -1.683 -5.471 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -3.912 -1.673 -4.388 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -1.694 -0.786 -4.470 1.00 0.00 C ATOM 1125 CZ TYR A 79 -2.966 -0.784 -3.922 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.310 0.112 -2.945 1.00 0.00 O ATOM 0 H TYR A 79 -3.471 -5.371 -8.351 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.153 -3.095 -7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -2.360 -4.556 -6.584 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.142 -3.527 -7.311 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.370 -3.231 -5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.426 -1.707 -5.916 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.903 -1.669 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.941 -0.097 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.265 0.322 -3.015 1.00 0.00 H new ATOM 1136 N THR A 80 -3.075 -1.792 -10.091 1.00 0.00 N ATOM 1137 CA THR A 80 -2.766 -0.537 -10.888 1.00 0.00 C ATOM 1138 C THR A 80 -1.217 -0.391 -11.099 1.00 0.00 C ATOM 1139 O THR A 80 -0.746 -0.426 -12.218 1.00 0.00 O ATOM 1140 CB THR A 80 -3.307 0.738 -10.147 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.736 0.666 -10.086 1.00 0.00 O ATOM 1142 CG2 THR A 80 -3.101 1.984 -10.995 1.00 0.00 C ATOM 0 H THR A 80 -3.584 -2.498 -10.623 1.00 0.00 H new ATOM 0 HA THR A 80 -3.259 -0.625 -11.856 1.00 0.00 H new ATOM 0 HB THR A 80 -2.801 0.780 -9.183 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.089 1.490 -9.691 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.483 2.854 -10.462 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.037 2.118 -11.193 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.635 1.874 -11.939 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.477 -0.226 -10.018 1.00 0.00 N ATOM 1151 CA ILE A 81 1.025 -0.070 -9.981 1.00 0.00 C ATOM 1152 C ILE A 81 1.590 1.212 -10.677 1.00 0.00 C ATOM 1153 O ILE A 81 2.374 1.176 -11.608 1.00 0.00 O ATOM 1154 CB ILE A 81 1.547 -1.389 -10.590 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.011 -2.641 -9.836 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.104 -1.447 -10.552 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.450 -2.717 -8.356 1.00 0.00 C ATOM 0 H ILE A 81 -0.892 -0.191 -9.087 1.00 0.00 H new ATOM 0 HA ILE A 81 1.373 0.093 -8.961 1.00 0.00 H new ATOM 0 HB ILE A 81 1.187 -1.404 -11.619 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.078 -2.642 -9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.353 -3.538 -10.353 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.444 -2.387 -10.987 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.513 -0.614 -11.123 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.445 -1.381 -9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.037 -3.617 -7.900 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.538 -2.749 -8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.085 -1.839 -7.823 1.00 0.00 H new ATOM 1169 N SER A 82 1.165 2.366 -10.215 1.00 0.00 N ATOM 1170 CA SER A 82 1.663 3.670 -10.829 1.00 0.00 C ATOM 1171 C SER A 82 1.815 4.944 -9.941 1.00 0.00 C ATOM 1172 O SER A 82 1.247 5.020 -8.867 1.00 0.00 O ATOM 1173 CB SER A 82 0.740 3.994 -12.029 1.00 0.00 C ATOM 1174 OG SER A 82 1.365 3.266 -13.080 1.00 0.00 O ATOM 0 H SER A 82 0.502 2.475 -9.448 1.00 0.00 H new ATOM 0 HA SER A 82 2.703 3.455 -11.077 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.285 3.666 -11.857 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.701 5.063 -12.238 1.00 0.00 H new ATOM 0 HG SER A 82 1.870 2.516 -12.703 1.00 0.00 H new ATOM 1180 N PRO A 83 2.562 5.933 -10.411 1.00 0.00 N ATOM 1181 CA PRO A 83 3.095 7.056 -9.559 1.00 0.00 C ATOM 1182 C PRO A 83 2.050 7.776 -8.694 1.00 0.00 C ATOM 1183 O PRO A 83 2.230 8.042 -7.518 1.00 0.00 O ATOM 1184 CB PRO A 83 3.780 7.981 -10.581 1.00 0.00 C ATOM 1185 CG PRO A 83 4.237 6.993 -11.677 1.00 0.00 C ATOM 1186 CD PRO A 83 2.989 6.109 -11.836 1.00 0.00 C ATOM 0 HA PRO A 83 3.773 6.682 -8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.093 8.731 -10.973 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.621 8.517 -10.142 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.499 7.502 -12.604 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.111 6.417 -11.371 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.219 6.591 -12.438 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.219 5.158 -12.315 1.00 0.00 H new ATOM 1194 N ASP A 84 0.989 8.051 -9.385 1.00 0.00 N ATOM 1195 CA ASP A 84 -0.219 8.745 -8.869 1.00 0.00 C ATOM 1196 C ASP A 84 -1.391 7.743 -8.862 1.00 0.00 C ATOM 1197 O ASP A 84 -2.525 8.067 -9.132 1.00 0.00 O ATOM 1198 CB ASP A 84 -0.437 9.917 -9.827 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.703 9.385 -11.245 1.00 0.00 C ATOM 1200 OD1 ASP A 84 0.205 8.765 -11.787 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -1.809 9.639 -11.684 1.00 0.00 O ATOM 0 H ASP A 84 0.906 7.800 -10.370 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.125 9.114 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.279 10.522 -9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.440 10.565 -9.830 1.00 0.00 H new ATOM 1206 N ILE A 85 -1.060 6.529 -8.550 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.043 5.391 -8.479 1.00 0.00 C ATOM 1208 C ILE A 85 -3.562 5.735 -8.406 1.00 0.00 C ATOM 1209 O ILE A 85 -4.029 6.463 -7.551 1.00 0.00 O ATOM 1210 CB ILE A 85 -1.590 4.520 -7.263 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -2.559 3.326 -7.005 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -1.530 5.388 -5.983 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -1.745 2.189 -6.339 1.00 0.00 C ATOM 0 H ILE A 85 -0.103 6.254 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.004 4.874 -9.438 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.605 4.122 -7.505 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.382 3.635 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.999 2.983 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.213 4.773 -5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.817 6.200 -6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.517 5.803 -5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.399 1.338 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.937 1.883 -7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.326 2.545 -5.398 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.303 5.199 -9.335 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.775 5.424 -9.400 1.00 0.00 C ATOM 1227 C ASP A 86 -6.443 4.226 -8.698 1.00 0.00 C ATOM 1228 O ASP A 86 -6.145 3.074 -8.963 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.179 5.524 -10.909 1.00 0.00 C ATOM 1230 CG ASP A 86 -6.301 6.945 -11.465 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -6.001 7.905 -10.783 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -6.722 6.942 -12.608 1.00 0.00 O ATOM 0 H ASP A 86 -3.939 4.597 -10.073 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.090 6.343 -8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.441 4.983 -11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.133 5.016 -11.046 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.332 4.562 -7.815 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.105 3.571 -7.013 1.00 0.00 C ATOM 1239 C CYS A 87 -9.027 2.709 -7.888 1.00 0.00 C ATOM 1240 O CYS A 87 -9.360 1.589 -7.549 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.887 4.396 -5.998 1.00 0.00 C ATOM 1242 SG CYS A 87 -8.060 5.867 -5.348 1.00 0.00 S ATOM 0 H CYS A 87 -7.568 5.532 -7.604 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.445 2.855 -6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.824 4.707 -6.460 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.145 3.750 -5.159 1.00 0.00 H new ATOM 1247 N SER A 88 -9.380 3.258 -9.007 1.00 0.00 N ATOM 1248 CA SER A 88 -10.291 2.553 -9.964 1.00 0.00 C ATOM 1249 C SER A 88 -9.658 1.416 -10.760 1.00 0.00 C ATOM 1250 O SER A 88 -10.394 0.695 -11.399 1.00 0.00 O ATOM 1251 CB SER A 88 -10.851 3.648 -10.898 1.00 0.00 C ATOM 1252 OG SER A 88 -11.568 3.026 -11.956 1.00 0.00 O ATOM 0 H SER A 88 -9.075 4.182 -9.313 1.00 0.00 H new ATOM 0 HA SER A 88 -11.066 2.043 -9.392 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.506 4.319 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.038 4.254 -11.298 1.00 0.00 H new ATOM 0 HG SER A 88 -11.397 2.061 -11.944 1.00 0.00 H new ATOM 1258 N ARG A 89 -8.362 1.255 -10.725 1.00 0.00 N ATOM 1259 CA ARG A 89 -7.694 0.161 -11.474 1.00 0.00 C ATOM 1260 C ARG A 89 -7.034 -0.913 -10.557 1.00 0.00 C ATOM 1261 O ARG A 89 -6.151 -1.660 -10.944 1.00 0.00 O ATOM 1262 CB ARG A 89 -6.704 0.909 -12.451 1.00 0.00 C ATOM 1263 CG ARG A 89 -6.783 2.487 -12.388 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.057 3.148 -13.584 1.00 0.00 C ATOM 1265 NE ARG A 89 -6.751 4.475 -13.798 1.00 0.00 N ATOM 1266 CZ ARG A 89 -7.297 4.859 -14.889 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -7.840 4.009 -15.657 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -7.265 6.107 -15.138 1.00 0.00 N ATOM 0 H ARG A 89 -7.727 1.852 -10.195 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.401 -0.453 -12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.684 0.600 -12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.911 0.589 -13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.828 2.798 -12.380 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.339 2.836 -11.456 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.998 3.290 -13.370 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.121 2.524 -14.475 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.786 5.117 -13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.841 3.021 -15.404 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.276 4.313 -16.527 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.819 6.747 -14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.686 6.467 -15.995 1.00 0.00 H new ATOM 1282 N ILE A 90 -7.553 -0.949 -9.349 1.00 0.00 N ATOM 1283 CA ILE A 90 -7.095 -1.905 -8.280 1.00 0.00 C ATOM 1284 C ILE A 90 -8.145 -3.012 -8.176 1.00 0.00 C ATOM 1285 O ILE A 90 -9.253 -2.889 -8.658 1.00 0.00 O ATOM 1286 CB ILE A 90 -6.954 -1.111 -6.968 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -5.541 -0.519 -7.072 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.087 -2.008 -5.695 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -5.192 0.374 -5.928 1.00 0.00 C ATOM 0 H ILE A 90 -8.306 -0.330 -9.048 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.131 -2.362 -8.505 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.741 -0.366 -6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.817 -1.332 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.457 0.043 -8.002 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.979 -1.392 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.066 -2.487 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.309 -2.772 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.181 0.759 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.895 1.206 -5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.244 -0.190 -4.997 1.00 0.00 H new ATOM 1301 N TYR A 91 -7.741 -4.065 -7.543 1.00 0.00 N ATOM 1302 CA TYR A 91 -8.619 -5.243 -7.345 1.00 0.00 C ATOM 1303 C TYR A 91 -8.539 -5.629 -5.864 1.00 0.00 C ATOM 1304 O TYR A 91 -9.486 -6.223 -5.383 1.00 0.00 O ATOM 1305 CB TYR A 91 -8.124 -6.400 -8.218 1.00 0.00 C ATOM 1306 CG TYR A 91 -8.222 -6.092 -9.727 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -7.540 -5.041 -10.317 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -9.006 -6.890 -10.529 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -7.638 -4.794 -11.667 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -9.103 -6.641 -11.882 1.00 0.00 C ATOM 1311 CZ TYR A 91 -8.421 -5.597 -12.450 1.00 0.00 C ATOM 1312 OH TYR A 91 -8.527 -5.367 -13.801 1.00 0.00 O ATOM 1313 OXT TYR A 91 -7.519 -5.315 -5.275 1.00 0.00 O ATOM 0 H TYR A 91 -6.809 -4.163 -7.141 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.648 -5.017 -7.624 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.088 -6.624 -7.964 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -8.707 -7.293 -7.995 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.919 -4.403 -9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.549 -7.717 -10.096 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.098 -3.969 -12.107 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.722 -7.275 -12.500 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.123 -6.034 -14.201 1.00 0.00 H new