USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot 53:sc= -3.21! USER MOD Set 1.2: B 51 THR OG1 : rot 75:sc= 0.859 USER MOD Set 2.1: B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 32 GLN :FLIP amide:sc= -0.199 F(o=-1.1,f=-0.2) USER MOD Set 3.1: B 8 ASN :FLIP amide:sc= -1.58 F(o=-2.9!,f=-1.6) USER MOD Set 3.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: B 1 MET CE :methyl -118:sc= -2.99 (180deg=-2.31) USER MOD Set 4.2: B 3 TYR OH : rot 180:sc= -2.21 USER MOD Set 5.1: A 49 THR OG1 : rot 54:sc= -3.02! USER MOD Set 5.2: A 51 THR OG1 : rot 75:sc= 1.16 USER MOD Set 6.1: A 8 ASN :FLIP amide:sc= -1.76 F(o=-3.1!,f=-1.8) USER MOD Set 6.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 1 MET CE :methyl -115:sc= -1.94 (180deg=-2.13) USER MOD Set 7.2: A 3 TYR OH : rot 30:sc= -2.33 USER MOD Single : A 1 MET N :NH3+ 166:sc= -1.77! (180deg=-2.8!) USER MOD Single : A 2 GLN :FLIP amide:sc= -3.99! C(o=-7.5!,f=-4!) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 0.0572 (180deg=0.018) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -131:sc= 0.996 (180deg=-1.26!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0999 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -130:sc= -2.83! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.185 F(o=-1.5!,f=-0.19) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= -3.44! X(o=-3.4!,f=-3.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.775 USER MOD Single : A 45 TYR OH : rot 11:sc= 0.242 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : B 1 MET N :NH3+ 165:sc= -2.02! (180deg=-3.02!) USER MOD Single : B 2 GLN :FLIP amide:sc= -4.25! C(o=-7.4!,f=-4.2!) USER MOD Single : B 4 LYS NZ :NH3+ 161:sc= 0.0173 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -128:sc= 0.999 (180deg=-1.28!) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.69 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.163 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -130:sc= -2.7! USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -5.25! C(o=-5.2!,f=-12!) USER MOD Single : B 37 ASN : amide:sc= -1.99 K(o=-2,f=-3.2!) USER MOD Single : B 44 THR OG1 : rot 171:sc= -0.799 USER MOD Single : B 45 TYR OH : rot 15:sc= 0.0891 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.0304 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.685 5.476 -18.784 1.00 0.00 N ATOM 2 CA MET A 1 -4.928 5.882 -18.056 1.00 0.00 C ATOM 3 C MET A 1 -4.913 5.319 -16.632 1.00 0.00 C ATOM 4 O MET A 1 -3.850 5.053 -16.079 1.00 0.00 O ATOM 5 CB MET A 1 -6.152 5.380 -18.846 1.00 0.00 C ATOM 6 CG MET A 1 -6.430 3.884 -18.579 1.00 0.00 C ATOM 7 SD MET A 1 -4.887 2.964 -18.314 1.00 0.00 S ATOM 8 CE MET A 1 -4.321 2.856 -20.035 1.00 0.00 C ATOM 0 H1 MET A 1 -3.805 5.653 -19.802 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.879 6.029 -18.430 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.506 4.464 -18.627 1.00 0.00 H new ATOM 0 HA MET A 1 -4.980 6.968 -17.978 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.028 5.968 -18.572 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.986 5.535 -19.912 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.072 3.782 -17.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.971 3.456 -19.423 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.317 1.813 -20.352 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.993 3.427 -20.676 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.313 3.263 -20.113 1.00 0.00 H new ATOM 20 N GLN A 2 -6.096 5.157 -16.040 1.00 0.00 N ATOM 21 CA GLN A 2 -6.203 4.645 -14.672 1.00 0.00 C ATOM 22 C GLN A 2 -5.831 3.167 -14.628 1.00 0.00 C ATOM 23 O GLN A 2 -6.438 2.349 -15.313 1.00 0.00 O ATOM 24 CB GLN A 2 -7.643 4.814 -14.146 1.00 0.00 C ATOM 25 CG GLN A 2 -7.660 4.719 -12.606 1.00 0.00 C ATOM 26 CD GLN A 2 -7.150 6.026 -12.018 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.037 6.034 -11.323 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -7.727 7.073 -12.282 1.00 0.00 N flip ATOM 0 H GLN A 2 -6.990 5.371 -16.482 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.517 5.213 -14.044 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.044 5.777 -14.463 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.287 4.045 -14.573 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.672 4.518 -12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.036 3.889 -12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.592 7.056 -12.823 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.343 7.962 -11.961 1.00 0.00 H new ATOM 37 N TYR A 3 -4.875 2.839 -13.762 1.00 0.00 N ATOM 38 CA TYR A 3 -4.439 1.458 -13.539 1.00 0.00 C ATOM 39 C TYR A 3 -4.816 1.124 -12.122 1.00 0.00 C ATOM 40 O TYR A 3 -4.936 2.036 -11.306 1.00 0.00 O ATOM 41 CB TYR A 3 -2.924 1.329 -13.744 1.00 0.00 C ATOM 42 CG TYR A 3 -2.655 1.320 -15.220 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.647 0.112 -15.941 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.399 2.532 -15.888 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.428 0.123 -17.333 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.164 2.539 -17.275 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.204 1.339 -17.999 1.00 0.00 C ATOM 48 OH TYR A 3 -1.987 1.341 -19.361 1.00 0.00 O ATOM 0 H TYR A 3 -4.378 3.524 -13.192 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.911 0.774 -14.244 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.403 2.159 -13.267 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.554 0.413 -13.284 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.809 -0.824 -15.427 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.383 3.459 -15.334 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.432 -0.804 -17.888 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.953 3.469 -17.782 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.464 0.589 -19.769 1.00 0.00 H new ATOM 58 N LYS A 4 -5.028 -0.148 -11.798 1.00 0.00 N ATOM 59 CA LYS A 4 -5.420 -0.500 -10.436 1.00 0.00 C ATOM 60 C LYS A 4 -4.512 -1.562 -9.864 1.00 0.00 C ATOM 61 O LYS A 4 -4.267 -2.583 -10.489 1.00 0.00 O ATOM 62 CB LYS A 4 -6.870 -0.984 -10.463 1.00 0.00 C ATOM 63 CG LYS A 4 -7.285 -1.518 -9.098 1.00 0.00 C ATOM 64 CD LYS A 4 -8.797 -1.749 -9.109 1.00 0.00 C ATOM 65 CE LYS A 4 -9.259 -2.217 -7.733 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.749 -2.249 -7.707 1.00 0.00 N ATOM 0 H LYS A 4 -4.938 -0.935 -12.441 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.332 0.376 -9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.527 -0.164 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.984 -1.765 -11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.761 -2.448 -8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.015 -0.809 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.313 -0.828 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.055 -2.494 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.857 -3.207 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.883 -1.546 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.070 -2.812 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.116 -1.279 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.102 -2.679 -8.586 1.00 0.00 H new ATOM 80 N LEU A 5 -4.036 -1.293 -8.650 1.00 0.00 N ATOM 81 CA LEU A 5 -3.146 -2.200 -7.936 1.00 0.00 C ATOM 82 C LEU A 5 -3.945 -3.034 -6.952 1.00 0.00 C ATOM 83 O LEU A 5 -4.390 -2.535 -5.921 1.00 0.00 O ATOM 84 CB LEU A 5 -2.099 -1.347 -7.191 1.00 0.00 C ATOM 85 CG LEU A 5 -0.928 -2.182 -6.628 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.427 -3.159 -5.552 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.200 -2.949 -7.756 1.00 0.00 C ATOM 0 H LEU A 5 -4.257 -0.440 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.650 -2.877 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.705 -0.591 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.586 -0.817 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.217 -1.495 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.587 -3.738 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.885 -2.599 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.164 -3.834 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.620 -3.528 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.901 -3.621 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.196 -2.239 -8.482 1.00 0.00 H new ATOM 99 N ILE A 6 -4.089 -4.323 -7.257 1.00 0.00 N ATOM 100 CA ILE A 6 -4.797 -5.237 -6.364 1.00 0.00 C ATOM 101 C ILE A 6 -3.751 -5.906 -5.525 1.00 0.00 C ATOM 102 O ILE A 6 -2.776 -6.422 -6.078 1.00 0.00 O ATOM 103 CB ILE A 6 -5.571 -6.280 -7.172 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.567 -5.539 -8.058 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.313 -7.234 -6.225 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.256 -6.495 -9.034 1.00 0.00 C ATOM 0 H ILE A 6 -3.728 -4.754 -8.108 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.518 -4.701 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.889 -6.871 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.316 -5.048 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.051 -4.756 -8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.861 -7.973 -6.809 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.594 -7.741 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.012 -6.666 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.960 -5.938 -9.652 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.508 -6.966 -9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.792 -7.262 -8.475 1.00 0.00 H new ATOM 118 N LEU A 7 -3.888 -5.909 -4.197 1.00 0.00 N ATOM 119 CA LEU A 7 -2.886 -6.518 -3.354 1.00 0.00 C ATOM 120 C LEU A 7 -3.344 -7.883 -2.870 1.00 0.00 C ATOM 121 O LEU A 7 -4.332 -8.013 -2.146 1.00 0.00 O ATOM 122 CB LEU A 7 -2.635 -5.603 -2.154 1.00 0.00 C ATOM 123 CG LEU A 7 -1.466 -6.124 -1.311 1.00 0.00 C ATOM 124 CD1 LEU A 7 -0.144 -6.015 -2.096 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.390 -5.312 -0.005 1.00 0.00 C ATOM 0 H LEU A 7 -4.677 -5.499 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.969 -6.652 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.418 -4.592 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.534 -5.544 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.628 -7.176 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.675 -6.389 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.213 -6.606 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.042 -4.972 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.561 -5.676 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.233 -4.259 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.322 -5.426 0.549 1.00 0.00 H new ATOM 137 N ASN A 8 -2.536 -8.872 -3.207 1.00 0.00 N ATOM 138 CA ASN A 8 -2.757 -10.238 -2.747 1.00 0.00 C ATOM 139 C ASN A 8 -1.528 -10.711 -2.016 1.00 0.00 C ATOM 140 O ASN A 8 -0.401 -10.531 -2.479 1.00 0.00 O ATOM 141 CB ASN A 8 -3.095 -11.195 -3.887 1.00 0.00 C ATOM 142 CG ASN A 8 -3.916 -10.491 -4.936 1.00 0.00 C ATOM 143 OD1 ASN A 8 -3.384 -10.318 -6.124 1.00 0.00 O flip ATOM 144 ND2 ASN A 8 -5.066 -10.144 -4.692 1.00 0.00 N flip ATOM 0 H ASN A 8 -1.715 -8.757 -3.801 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.619 -10.233 -2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.177 -11.580 -4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.645 -12.052 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.456 -10.290 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.633 -9.710 -5.420 1.00 0.00 H new ATOM 151 N GLY A 9 -1.759 -11.310 -0.877 1.00 0.00 N ATOM 152 CA GLY A 9 -0.672 -11.813 -0.070 1.00 0.00 C ATOM 153 C GLY A 9 -1.168 -12.354 1.255 1.00 0.00 C ATOM 154 O GLY A 9 -2.294 -12.847 1.356 1.00 0.00 O ATOM 0 H GLY A 9 -2.688 -11.463 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.149 -12.600 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.049 -11.015 0.109 1.00 0.00 H new ATOM 158 N LYS A 10 -0.303 -12.269 2.262 1.00 0.00 N ATOM 159 CA LYS A 10 -0.615 -12.763 3.604 1.00 0.00 C ATOM 160 C LYS A 10 -0.451 -11.641 4.625 1.00 0.00 C ATOM 161 O LYS A 10 -1.431 -11.153 5.188 1.00 0.00 O ATOM 162 CB LYS A 10 0.341 -13.915 3.950 1.00 0.00 C ATOM 163 CG LYS A 10 0.457 -14.901 2.770 1.00 0.00 C ATOM 164 CD LYS A 10 -0.879 -15.602 2.508 1.00 0.00 C ATOM 165 CE LYS A 10 -0.717 -16.584 1.350 1.00 0.00 C ATOM 166 NZ LYS A 10 -2.015 -17.269 1.110 1.00 0.00 N ATOM 0 H LYS A 10 0.627 -11.860 2.175 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.646 -13.116 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.325 -13.516 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.019 -14.440 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.773 -14.366 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.225 -15.643 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.207 -16.129 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.648 -14.867 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.398 -16.057 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.057 -17.315 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.913 -17.940 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.300 -17.783 1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.741 -16.563 0.872 1.00 0.00 H new ATOM 180 N THR A 11 0.791 -11.226 4.844 1.00 0.00 N ATOM 181 CA THR A 11 1.075 -10.152 5.782 1.00 0.00 C ATOM 182 C THR A 11 0.397 -8.875 5.317 1.00 0.00 C ATOM 183 O THR A 11 0.248 -7.928 6.090 1.00 0.00 O ATOM 184 CB THR A 11 2.589 -9.923 5.878 1.00 0.00 C ATOM 185 OG1 THR A 11 3.208 -11.058 6.459 1.00 0.00 O ATOM 186 CG2 THR A 11 2.876 -8.696 6.741 1.00 0.00 C ATOM 0 H THR A 11 1.614 -11.617 4.385 1.00 0.00 H new ATOM 0 HA THR A 11 0.694 -10.430 6.765 1.00 0.00 H new ATOM 0 HB THR A 11 2.987 -9.762 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.175 -10.909 6.517 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.953 -8.540 6.805 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.408 -7.819 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.472 -8.852 7.741 1.00 0.00 H new ATOM 194 N LEU A 12 0.017 -8.835 4.039 1.00 0.00 N ATOM 195 CA LEU A 12 -0.614 -7.642 3.484 1.00 0.00 C ATOM 196 C LEU A 12 -1.715 -8.014 2.480 1.00 0.00 C ATOM 197 O LEU A 12 -1.536 -8.898 1.643 1.00 0.00 O ATOM 198 CB LEU A 12 0.482 -6.797 2.789 1.00 0.00 C ATOM 199 CG LEU A 12 0.249 -5.282 3.003 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.410 -4.926 4.502 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.259 -4.463 2.144 1.00 0.00 C ATOM 0 H LEU A 12 0.134 -9.604 3.379 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.084 -7.072 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.461 -7.075 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.491 -7.018 1.722 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.765 -5.031 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.244 -3.858 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.318 -5.486 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.417 -5.183 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.089 -3.398 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.277 -4.715 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.118 -4.703 1.090 1.00 0.00 H new ATOM 213 N LYS A 13 -2.828 -7.291 2.552 1.00 0.00 N ATOM 214 CA LYS A 13 -3.951 -7.472 1.631 1.00 0.00 C ATOM 215 C LYS A 13 -4.636 -6.116 1.462 1.00 0.00 C ATOM 216 O LYS A 13 -4.807 -5.391 2.442 1.00 0.00 O ATOM 217 CB LYS A 13 -4.963 -8.499 2.151 1.00 0.00 C ATOM 218 CG LYS A 13 -4.346 -9.914 2.168 1.00 0.00 C ATOM 219 CD LYS A 13 -5.414 -10.927 2.635 1.00 0.00 C ATOM 220 CE LYS A 13 -4.801 -12.331 2.818 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.799 -13.079 1.518 1.00 0.00 N ATOM 0 H LYS A 13 -2.980 -6.562 3.250 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.573 -7.849 0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.283 -8.225 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.852 -8.492 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.986 -10.179 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.485 -9.941 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.852 -10.592 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.222 -10.971 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.782 -12.243 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.369 -12.888 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.196 -14.029 1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.376 -12.566 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.824 -13.162 1.166 1.00 0.00 H new ATOM 235 N GLY A 14 -5.008 -5.760 0.236 1.00 0.00 N ATOM 236 CA GLY A 14 -5.648 -4.467 0.000 1.00 0.00 C ATOM 237 C GLY A 14 -5.790 -4.162 -1.492 1.00 0.00 C ATOM 238 O GLY A 14 -5.603 -5.029 -2.346 1.00 0.00 O ATOM 0 H GLY A 14 -4.881 -6.336 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.633 -4.459 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.063 -3.680 0.477 1.00 0.00 H new ATOM 242 N GLU A 15 -6.124 -2.907 -1.787 1.00 0.00 N ATOM 243 CA GLU A 15 -6.294 -2.449 -3.164 1.00 0.00 C ATOM 244 C GLU A 15 -5.974 -0.949 -3.253 1.00 0.00 C ATOM 245 O GLU A 15 -6.601 -0.142 -2.569 1.00 0.00 O ATOM 246 CB GLU A 15 -7.747 -2.651 -3.617 1.00 0.00 C ATOM 247 CG GLU A 15 -8.091 -4.130 -3.842 1.00 0.00 C ATOM 248 CD GLU A 15 -9.590 -4.222 -4.100 1.00 0.00 C ATOM 249 OE1 GLU A 15 -10.010 -3.971 -5.251 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.345 -4.382 -3.116 1.00 0.00 O ATOM 0 H GLU A 15 -6.283 -2.185 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.622 -3.023 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.419 -2.235 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.917 -2.097 -4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.532 -4.528 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.816 -4.724 -2.970 1.00 0.00 H new ATOM 257 N THR A 16 -5.053 -0.565 -4.142 1.00 0.00 N ATOM 258 CA THR A 16 -4.723 0.851 -4.351 1.00 0.00 C ATOM 259 C THR A 16 -4.837 1.127 -5.851 1.00 0.00 C ATOM 260 O THR A 16 -4.820 0.192 -6.652 1.00 0.00 O ATOM 261 CB THR A 16 -3.305 1.196 -3.837 1.00 0.00 C ATOM 262 OG1 THR A 16 -2.347 0.873 -4.832 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.976 0.419 -2.541 1.00 0.00 C ATOM 0 H THR A 16 -4.524 -1.211 -4.727 1.00 0.00 H new ATOM 0 HA THR A 16 -5.413 1.477 -3.785 1.00 0.00 H new ATOM 0 HB THR A 16 -3.273 2.263 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.450 1.093 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.973 0.682 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.699 0.679 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.024 -0.652 -2.737 1.00 0.00 H new ATOM 271 N THR A 17 -5.000 2.391 -6.240 1.00 0.00 N ATOM 272 CA THR A 17 -5.165 2.732 -7.657 1.00 0.00 C ATOM 273 C THR A 17 -4.505 4.074 -7.962 1.00 0.00 C ATOM 274 O THR A 17 -4.544 4.992 -7.144 1.00 0.00 O ATOM 275 CB THR A 17 -6.674 2.786 -7.990 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.272 1.554 -7.611 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.918 3.008 -9.490 1.00 0.00 C ATOM 0 H THR A 17 -5.022 3.189 -5.605 1.00 0.00 H new ATOM 0 HA THR A 17 -4.684 1.971 -8.272 1.00 0.00 H new ATOM 0 HB THR A 17 -7.111 3.622 -7.444 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.230 1.578 -7.817 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.990 3.040 -9.683 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.466 3.951 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.471 2.191 -10.056 1.00 0.00 H new ATOM 285 N THR A 18 -3.913 4.192 -9.152 1.00 0.00 N ATOM 286 CA THR A 18 -3.267 5.438 -9.560 1.00 0.00 C ATOM 287 C THR A 18 -3.414 5.644 -11.060 1.00 0.00 C ATOM 288 O THR A 18 -3.442 4.674 -11.827 1.00 0.00 O ATOM 289 CB THR A 18 -1.760 5.399 -9.213 1.00 0.00 C ATOM 290 OG1 THR A 18 -1.292 6.730 -9.079 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.947 4.690 -10.325 1.00 0.00 C ATOM 0 H THR A 18 -3.868 3.445 -9.845 1.00 0.00 H new ATOM 0 HA THR A 18 -3.748 6.258 -9.027 1.00 0.00 H new ATOM 0 HB THR A 18 -1.629 4.844 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.337 6.720 -8.857 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.108 4.678 -10.053 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.304 3.666 -10.440 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.073 5.226 -11.266 1.00 0.00 H new ATOM 299 N GLU A 19 -3.426 6.897 -11.497 1.00 0.00 N ATOM 300 CA GLU A 19 -3.470 7.207 -12.906 1.00 0.00 C ATOM 301 C GLU A 19 -2.133 7.834 -13.189 1.00 0.00 C ATOM 302 O GLU A 19 -1.727 8.760 -12.489 1.00 0.00 O ATOM 303 CB GLU A 19 -4.578 8.213 -13.208 1.00 0.00 C ATOM 304 CG GLU A 19 -4.787 8.350 -14.720 1.00 0.00 C ATOM 305 CD GLU A 19 -5.829 9.433 -14.965 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.922 10.345 -14.113 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.634 9.283 -15.913 1.00 0.00 O ATOM 0 H GLU A 19 -3.406 7.714 -10.886 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.669 6.323 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.506 7.892 -12.735 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.322 9.183 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.849 8.609 -15.211 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.118 7.402 -15.145 1.00 0.00 H new ATOM 314 N ALA A 20 -1.408 7.285 -14.139 1.00 0.00 N ATOM 315 CA ALA A 20 -0.065 7.757 -14.418 1.00 0.00 C ATOM 316 C ALA A 20 -0.028 8.532 -15.711 1.00 0.00 C ATOM 317 O ALA A 20 -1.048 8.696 -16.383 1.00 0.00 O ATOM 318 CB ALA A 20 0.885 6.562 -14.481 1.00 0.00 C ATOM 0 H ALA A 20 -1.722 6.515 -14.730 1.00 0.00 H new ATOM 0 HA ALA A 20 0.251 8.428 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.896 6.912 -14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.873 6.037 -13.526 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.564 5.884 -15.272 1.00 0.00 H new ATOM 324 N VAL A 21 1.163 8.982 -16.066 1.00 0.00 N ATOM 325 CA VAL A 21 1.319 9.713 -17.301 1.00 0.00 C ATOM 326 C VAL A 21 0.886 8.779 -18.424 1.00 0.00 C ATOM 327 O VAL A 21 0.236 9.211 -19.383 1.00 0.00 O ATOM 328 CB VAL A 21 2.780 10.199 -17.459 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.638 9.094 -18.078 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.815 11.458 -18.339 1.00 0.00 C ATOM 0 H VAL A 21 2.018 8.855 -15.525 1.00 0.00 H new ATOM 0 HA VAL A 21 0.703 10.612 -17.319 1.00 0.00 H new ATOM 0 HB VAL A 21 3.184 10.442 -16.477 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.664 9.447 -18.185 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.621 8.216 -17.433 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.241 8.831 -19.058 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.845 11.797 -18.448 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.403 11.227 -19.321 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.221 12.244 -17.873 1.00 0.00 H new ATOM 340 N ASP A 22 1.216 7.479 -18.300 1.00 0.00 N ATOM 341 CA ASP A 22 0.829 6.502 -19.286 1.00 0.00 C ATOM 342 C ASP A 22 1.127 5.077 -18.754 1.00 0.00 C ATOM 343 O ASP A 22 1.661 4.876 -17.660 1.00 0.00 O ATOM 344 CB ASP A 22 1.577 6.720 -20.608 1.00 0.00 C ATOM 345 CG ASP A 22 1.069 5.707 -21.626 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.171 5.658 -21.820 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.865 4.894 -22.144 1.00 0.00 O ATOM 0 H ASP A 22 1.751 7.100 -17.519 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.239 6.614 -19.473 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.416 7.735 -20.971 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.650 6.602 -20.459 1.00 0.00 H new ATOM 352 N ALA A 23 0.708 4.122 -19.548 1.00 0.00 N ATOM 353 CA ALA A 23 0.847 2.712 -19.202 1.00 0.00 C ATOM 354 C ALA A 23 2.262 2.401 -18.689 1.00 0.00 C ATOM 355 O ALA A 23 2.430 1.728 -17.682 1.00 0.00 O ATOM 356 CB ALA A 23 0.568 1.839 -20.423 1.00 0.00 C ATOM 0 H ALA A 23 0.262 4.290 -20.450 1.00 0.00 H new ATOM 0 HA ALA A 23 0.126 2.496 -18.413 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.675 0.789 -20.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.447 2.021 -20.776 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.277 2.083 -21.214 1.00 0.00 H new ATOM 362 N ALA A 24 3.279 2.889 -19.374 1.00 0.00 N ATOM 363 CA ALA A 24 4.655 2.632 -18.977 1.00 0.00 C ATOM 364 C ALA A 24 4.973 3.184 -17.587 1.00 0.00 C ATOM 365 O ALA A 24 5.820 2.641 -16.879 1.00 0.00 O ATOM 366 CB ALA A 24 5.601 3.259 -20.000 1.00 0.00 C ATOM 0 H ALA A 24 3.181 3.466 -20.209 1.00 0.00 H new ATOM 0 HA ALA A 24 4.790 1.551 -18.939 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.633 3.068 -19.706 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.417 2.822 -20.981 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.429 4.334 -20.044 1.00 0.00 H new ATOM 372 N THR A 25 4.315 4.276 -17.199 1.00 0.00 N ATOM 373 CA THR A 25 4.586 4.869 -15.885 1.00 0.00 C ATOM 374 C THR A 25 3.808 4.166 -14.776 1.00 0.00 C ATOM 375 O THR A 25 4.398 3.702 -13.801 1.00 0.00 O ATOM 376 CB THR A 25 4.291 6.361 -15.890 1.00 0.00 C ATOM 377 OG1 THR A 25 5.042 6.959 -16.936 1.00 0.00 O ATOM 378 CG2 THR A 25 4.699 6.976 -14.548 1.00 0.00 C ATOM 0 H THR A 25 3.610 4.759 -17.756 1.00 0.00 H new ATOM 0 HA THR A 25 5.647 4.730 -15.679 1.00 0.00 H new ATOM 0 HB THR A 25 3.225 6.531 -16.044 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.526 7.737 -16.588 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.485 8.045 -14.558 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.137 6.501 -13.744 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.766 6.821 -14.386 1.00 0.00 H new ATOM 386 N ALA A 26 2.489 4.083 -14.907 1.00 0.00 N ATOM 387 CA ALA A 26 1.691 3.427 -13.871 1.00 0.00 C ATOM 388 C ALA A 26 2.247 2.035 -13.622 1.00 0.00 C ATOM 389 O ALA A 26 2.244 1.533 -12.504 1.00 0.00 O ATOM 390 CB ALA A 26 0.213 3.350 -14.315 1.00 0.00 C ATOM 0 H ALA A 26 1.958 4.450 -15.697 1.00 0.00 H new ATOM 0 HA ALA A 26 1.741 4.002 -12.947 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.375 2.860 -13.539 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.170 4.357 -14.480 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.140 2.778 -15.240 1.00 0.00 H new ATOM 396 N GLU A 27 2.765 1.453 -14.681 1.00 0.00 N ATOM 397 CA GLU A 27 3.367 0.141 -14.587 1.00 0.00 C ATOM 398 C GLU A 27 4.661 0.246 -13.791 1.00 0.00 C ATOM 399 O GLU A 27 4.899 -0.490 -12.817 1.00 0.00 O ATOM 400 CB GLU A 27 3.642 -0.427 -15.992 1.00 0.00 C ATOM 401 CG GLU A 27 2.363 -1.029 -16.632 1.00 0.00 C ATOM 402 CD GLU A 27 1.164 -0.087 -16.496 1.00 0.00 C ATOM 403 OE1 GLU A 27 0.836 0.286 -15.349 1.00 0.00 O ATOM 404 OE2 GLU A 27 0.582 0.301 -17.536 1.00 0.00 O ATOM 0 H GLU A 27 2.782 1.865 -15.614 1.00 0.00 H new ATOM 0 HA GLU A 27 2.682 -0.538 -14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.032 0.363 -16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.413 -1.195 -15.929 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.546 -1.235 -17.687 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.132 -1.982 -16.157 1.00 0.00 H new ATOM 411 N LYS A 28 5.467 1.201 -14.200 1.00 0.00 N ATOM 412 CA LYS A 28 6.755 1.457 -13.557 1.00 0.00 C ATOM 413 C LYS A 28 6.624 1.780 -12.075 1.00 0.00 C ATOM 414 O LYS A 28 7.395 1.268 -11.264 1.00 0.00 O ATOM 415 CB LYS A 28 7.451 2.642 -14.246 1.00 0.00 C ATOM 416 CG LYS A 28 8.792 2.958 -13.564 1.00 0.00 C ATOM 417 CD LYS A 28 9.455 4.149 -14.264 1.00 0.00 C ATOM 418 CE LYS A 28 10.732 4.558 -13.508 1.00 0.00 C ATOM 419 NZ LYS A 28 10.419 5.671 -12.570 1.00 0.00 N ATOM 0 H LYS A 28 5.258 1.823 -14.981 1.00 0.00 H new ATOM 0 HA LYS A 28 7.338 0.541 -13.654 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.618 2.410 -15.298 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.805 3.519 -14.212 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.631 3.186 -12.510 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.447 2.088 -13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.700 3.887 -15.293 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.762 4.989 -14.306 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.130 3.706 -12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.502 4.869 -14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.282 5.947 -12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.058 6.486 -13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.698 5.358 -11.888 1.00 0.00 H new ATOM 433 N VAL A 29 5.710 2.667 -11.712 1.00 0.00 N ATOM 434 CA VAL A 29 5.625 3.050 -10.314 1.00 0.00 C ATOM 435 C VAL A 29 5.300 1.843 -9.430 1.00 0.00 C ATOM 436 O VAL A 29 6.028 1.546 -8.485 1.00 0.00 O ATOM 437 CB VAL A 29 4.629 4.220 -10.139 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.187 3.742 -9.952 1.00 0.00 C ATOM 439 CG2 VAL A 29 5.021 5.070 -8.932 1.00 0.00 C ATOM 0 H VAL A 29 5.043 3.119 -12.337 1.00 0.00 H new ATOM 0 HA VAL A 29 6.598 3.411 -9.982 1.00 0.00 H new ATOM 0 HB VAL A 29 4.676 4.808 -11.056 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.530 4.604 -9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.878 3.167 -10.825 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.124 3.114 -9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.312 5.890 -8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.008 4.453 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.023 5.474 -9.081 1.00 0.00 H new ATOM 449 N PHE A 30 4.187 1.200 -9.695 1.00 0.00 N ATOM 450 CA PHE A 30 3.771 0.086 -8.865 1.00 0.00 C ATOM 451 C PHE A 30 4.897 -0.949 -8.746 1.00 0.00 C ATOM 452 O PHE A 30 5.062 -1.595 -7.703 1.00 0.00 O ATOM 453 CB PHE A 30 2.526 -0.578 -9.475 1.00 0.00 C ATOM 454 CG PHE A 30 1.281 0.286 -9.317 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.887 0.779 -8.057 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.491 0.574 -10.451 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.283 1.547 -7.928 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.676 1.347 -10.320 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.055 1.839 -9.064 1.00 0.00 C ATOM 0 H PHE A 30 3.558 1.422 -10.467 1.00 0.00 H new ATOM 0 HA PHE A 30 3.536 0.464 -7.870 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.701 -0.772 -10.533 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.360 -1.544 -8.997 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.488 0.565 -7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.784 0.200 -11.421 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.587 1.911 -6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.281 1.562 -11.188 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.944 2.445 -8.969 1.00 0.00 H new ATOM 469 N LYS A 31 5.660 -1.107 -9.829 1.00 0.00 N ATOM 470 CA LYS A 31 6.759 -2.082 -9.859 1.00 0.00 C ATOM 471 C LYS A 31 7.966 -1.585 -9.064 1.00 0.00 C ATOM 472 O LYS A 31 8.855 -2.355 -8.696 1.00 0.00 O ATOM 473 CB LYS A 31 7.110 -2.388 -11.323 1.00 0.00 C ATOM 474 CG LYS A 31 7.371 -3.885 -11.520 1.00 0.00 C ATOM 475 CD LYS A 31 7.505 -4.176 -13.008 1.00 0.00 C ATOM 476 CE LYS A 31 7.626 -5.693 -13.201 1.00 0.00 C ATOM 477 NZ LYS A 31 7.641 -6.025 -14.657 1.00 0.00 N ATOM 0 H LYS A 31 5.541 -0.578 -10.693 1.00 0.00 H new ATOM 0 HA LYS A 31 6.442 -3.007 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.294 -2.068 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.992 -1.819 -11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.280 -4.180 -10.996 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.554 -4.468 -11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.639 -3.794 -13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.382 -3.672 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.538 -6.056 -12.728 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.792 -6.197 -12.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.723 -7.055 -14.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.759 -5.694 -15.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.451 -5.558 -15.111 1.00 0.00 H new ATOM 491 N GLN A 32 7.930 -0.305 -8.756 1.00 0.00 N ATOM 492 CA GLN A 32 8.984 0.292 -7.937 1.00 0.00 C ATOM 493 C GLN A 32 8.758 -0.129 -6.471 1.00 0.00 C ATOM 494 O GLN A 32 9.703 -0.491 -5.768 1.00 0.00 O ATOM 495 CB GLN A 32 9.016 1.838 -8.090 1.00 0.00 C ATOM 496 CG GLN A 32 10.469 2.405 -7.996 1.00 0.00 C ATOM 497 CD GLN A 32 11.086 2.670 -9.379 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.356 2.591 -10.472 1.00 0.00 O flip ATOM 499 NE2 GLN A 32 12.302 2.545 -9.448 1.00 0.00 N flip ATOM 0 H GLN A 32 7.197 0.340 -9.051 1.00 0.00 H new ATOM 0 HA GLN A 32 9.957 -0.068 -8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.579 2.117 -9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.399 2.292 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.458 3.332 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.096 1.700 -7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.870 2.606 -8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.747 2.380 -10.351 1.00 0.00 H new ATOM 508 N TYR A 33 7.500 -0.036 -6.009 1.00 0.00 N ATOM 509 CA TYR A 33 7.162 -0.363 -4.614 1.00 0.00 C ATOM 510 C TYR A 33 7.081 -1.879 -4.327 1.00 0.00 C ATOM 511 O TYR A 33 7.677 -2.367 -3.366 1.00 0.00 O ATOM 512 CB TYR A 33 5.757 0.201 -4.273 1.00 0.00 C ATOM 513 CG TYR A 33 5.709 1.718 -4.195 1.00 0.00 C ATOM 514 CD1 TYR A 33 6.184 2.529 -5.246 1.00 0.00 C ATOM 515 CD2 TYR A 33 5.172 2.335 -3.044 1.00 0.00 C ATOM 516 CE1 TYR A 33 6.137 3.932 -5.149 1.00 0.00 C ATOM 517 CE2 TYR A 33 5.117 3.741 -2.951 1.00 0.00 C ATOM 518 CZ TYR A 33 5.598 4.537 -4.004 1.00 0.00 C ATOM 519 OH TYR A 33 5.504 5.913 -3.927 1.00 0.00 O ATOM 0 H TYR A 33 6.706 0.261 -6.576 1.00 0.00 H new ATOM 0 HA TYR A 33 7.963 0.072 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.047 -0.138 -5.027 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.431 -0.213 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.588 2.068 -6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.802 1.727 -2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.516 4.542 -5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.704 4.207 -2.068 1.00 0.00 H new ATOM 0 HH TYR A 33 5.107 6.166 -3.068 1.00 0.00 H new ATOM 529 N PHE A 34 6.233 -2.589 -5.076 1.00 0.00 N ATOM 530 CA PHE A 34 5.988 -4.007 -4.755 1.00 0.00 C ATOM 531 C PHE A 34 6.926 -5.030 -5.375 1.00 0.00 C ATOM 532 O PHE A 34 6.474 -6.053 -5.900 1.00 0.00 O ATOM 533 CB PHE A 34 4.569 -4.401 -5.071 1.00 0.00 C ATOM 534 CG PHE A 34 3.602 -3.523 -4.327 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.316 -3.868 -2.990 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.909 -2.457 -4.931 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.367 -3.135 -2.257 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.958 -1.726 -4.197 1.00 0.00 C ATOM 539 CZ PHE A 34 1.691 -2.061 -2.858 1.00 0.00 C ATOM 0 H PHE A 34 5.720 -2.228 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 34 6.192 -4.042 -3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.393 -4.319 -6.144 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.406 -5.444 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.828 -4.699 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.108 -2.200 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.158 -3.398 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.432 -0.906 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.967 -1.493 -2.292 1.00 0.00 H new ATOM 549 N ASN A 35 8.224 -4.783 -5.297 1.00 0.00 N ATOM 550 CA ASN A 35 9.203 -5.705 -5.830 1.00 0.00 C ATOM 551 C ASN A 35 10.048 -6.285 -4.677 1.00 0.00 C ATOM 552 O ASN A 35 10.813 -7.225 -4.898 1.00 0.00 O ATOM 553 CB ASN A 35 10.045 -4.918 -6.868 1.00 0.00 C ATOM 554 CG ASN A 35 11.543 -4.939 -6.618 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.942 -4.346 -5.624 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.349 -5.163 -7.633 1.00 0.00 N ATOM 0 H ASN A 35 8.621 -3.947 -4.867 1.00 0.00 H new ATOM 0 HA ASN A 35 8.743 -6.559 -6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.850 -5.328 -7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.707 -3.882 -6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.316 -4.842 -7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.007 -5.658 -8.456 1.00 0.00 H new ATOM 563 N ASP A 36 9.958 -5.704 -3.446 1.00 0.00 N ATOM 564 CA ASP A 36 10.831 -6.203 -2.344 1.00 0.00 C ATOM 565 C ASP A 36 10.335 -6.171 -0.891 1.00 0.00 C ATOM 566 O ASP A 36 10.784 -6.967 -0.158 1.00 0.00 O ATOM 567 CB ASP A 36 12.053 -5.336 -2.400 1.00 0.00 C ATOM 568 CG ASP A 36 12.946 -5.362 -1.138 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.563 -4.406 -0.423 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.163 -5.586 -1.347 1.00 0.00 O ATOM 0 H ASP A 36 9.331 -4.938 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 36 10.938 -7.270 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.655 -5.641 -3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.740 -4.308 -2.581 1.00 0.00 H new ATOM 575 N ASN A 37 9.382 -5.389 -0.549 1.00 0.00 N ATOM 576 CA ASN A 37 8.786 -5.378 0.824 1.00 0.00 C ATOM 577 C ASN A 37 8.506 -6.838 1.297 1.00 0.00 C ATOM 578 O ASN A 37 7.422 -7.170 1.772 1.00 0.00 O ATOM 579 CB ASN A 37 7.491 -4.564 0.753 1.00 0.00 C ATOM 580 CG ASN A 37 7.068 -4.499 -0.692 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.772 -5.601 -1.132 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.533 -3.439 -1.251 1.00 0.00 N ATOM 0 H ASN A 37 8.957 -4.715 -1.186 1.00 0.00 H new ATOM 0 HA ASN A 37 9.470 -4.929 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.713 -5.030 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.647 -3.561 1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.887 -3.546 -2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.763 -2.508 -0.903 1.00 0.00 H new ATOM 589 N GLY A 38 9.519 -7.678 1.144 1.00 0.00 N ATOM 590 CA GLY A 38 9.468 -9.094 1.496 1.00 0.00 C ATOM 591 C GLY A 38 8.386 -9.810 0.690 1.00 0.00 C ATOM 592 O GLY A 38 8.494 -11.003 0.397 1.00 0.00 O ATOM 0 H GLY A 38 10.420 -7.390 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.437 -9.557 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.267 -9.202 2.562 1.00 0.00 H new ATOM 596 N VAL A 39 7.344 -9.073 0.338 1.00 0.00 N ATOM 597 CA VAL A 39 6.247 -9.619 -0.418 1.00 0.00 C ATOM 598 C VAL A 39 6.691 -10.032 -1.812 1.00 0.00 C ATOM 599 O VAL A 39 6.332 -11.119 -2.262 1.00 0.00 O ATOM 600 CB VAL A 39 5.127 -8.571 -0.480 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.107 -8.943 -1.555 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.436 -8.508 0.884 1.00 0.00 C ATOM 0 H VAL A 39 7.243 -8.085 0.571 1.00 0.00 H new ATOM 0 HA VAL A 39 5.878 -10.519 0.074 1.00 0.00 H new ATOM 0 HB VAL A 39 5.554 -7.600 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.320 -8.190 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.602 -8.991 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.671 -9.914 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.638 -7.767 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.015 -9.484 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.162 -8.228 1.647 1.00 0.00 H new ATOM 612 N ASP A 40 7.465 -9.152 -2.482 1.00 0.00 N ATOM 613 CA ASP A 40 7.964 -9.413 -3.848 1.00 0.00 C ATOM 614 C ASP A 40 7.051 -10.414 -4.554 1.00 0.00 C ATOM 615 O ASP A 40 7.504 -11.387 -5.156 1.00 0.00 O ATOM 616 CB ASP A 40 9.405 -9.946 -3.802 1.00 0.00 C ATOM 617 CG ASP A 40 9.456 -11.332 -3.156 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.382 -11.932 -2.904 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.576 -11.849 -2.913 1.00 0.00 O ATOM 0 H ASP A 40 7.758 -8.254 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 40 7.962 -8.477 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.810 -9.997 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.034 -9.256 -3.240 1.00 0.00 H new ATOM 624 N GLY A 41 5.755 -10.185 -4.391 1.00 0.00 N ATOM 625 CA GLY A 41 4.740 -11.075 -4.917 1.00 0.00 C ATOM 626 C GLY A 41 4.839 -11.286 -6.415 1.00 0.00 C ATOM 627 O GLY A 41 5.554 -10.574 -7.118 1.00 0.00 O ATOM 0 H GLY A 41 5.383 -9.378 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.819 -12.040 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.756 -10.672 -4.679 1.00 0.00 H new ATOM 631 N GLU A 42 4.090 -12.281 -6.883 1.00 0.00 N ATOM 632 CA GLU A 42 4.040 -12.620 -8.288 1.00 0.00 C ATOM 633 C GLU A 42 3.345 -11.496 -9.017 1.00 0.00 C ATOM 634 O GLU A 42 2.238 -11.105 -8.643 1.00 0.00 O ATOM 635 CB GLU A 42 3.240 -13.939 -8.471 1.00 0.00 C ATOM 636 CG GLU A 42 4.116 -15.037 -9.083 1.00 0.00 C ATOM 637 CD GLU A 42 5.034 -15.623 -8.011 1.00 0.00 C ATOM 638 OE1 GLU A 42 5.095 -15.056 -6.897 1.00 0.00 O ATOM 639 OE2 GLU A 42 5.653 -16.678 -8.276 1.00 0.00 O ATOM 0 H GLU A 42 3.503 -12.870 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 42 5.046 -12.759 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.856 -14.272 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.377 -13.758 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.489 -15.822 -9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.710 -14.628 -9.900 1.00 0.00 H new ATOM 646 N TRP A 43 3.965 -10.978 -10.060 1.00 0.00 N ATOM 647 CA TRP A 43 3.353 -9.902 -10.815 1.00 0.00 C ATOM 648 C TRP A 43 2.490 -10.387 -11.942 1.00 0.00 C ATOM 649 O TRP A 43 2.837 -11.297 -12.692 1.00 0.00 O ATOM 650 CB TRP A 43 4.430 -8.928 -11.333 1.00 0.00 C ATOM 651 CG TRP A 43 4.479 -7.827 -10.399 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.617 -7.968 -9.061 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.365 -6.388 -10.633 1.00 0.00 C ATOM 654 NE1 TRP A 43 4.564 -6.732 -8.449 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.395 -5.722 -9.368 1.00 0.00 C ATOM 656 CE3 TRP A 43 4.223 -5.574 -11.781 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.268 -4.333 -9.246 1.00 0.00 C ATOM 658 CZ3 TRP A 43 4.114 -4.173 -11.669 1.00 0.00 C ATOM 659 CH2 TRP A 43 4.129 -3.558 -10.407 1.00 0.00 C ATOM 0 H TRP A 43 4.878 -11.279 -10.400 1.00 0.00 H new ATOM 0 HA TRP A 43 2.691 -9.376 -10.127 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.399 -9.423 -11.399 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.183 -8.575 -12.334 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.749 -8.909 -8.547 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.640 -6.586 -7.442 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.198 -6.033 -12.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.277 -3.865 -8.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.018 -3.569 -12.559 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.033 -2.485 -10.330 1.00 0.00 H new ATOM 670 N THR A 44 1.376 -9.691 -12.074 1.00 0.00 N ATOM 671 CA THR A 44 0.428 -9.935 -13.142 1.00 0.00 C ATOM 672 C THR A 44 -0.092 -8.587 -13.577 1.00 0.00 C ATOM 673 O THR A 44 -0.256 -7.688 -12.748 1.00 0.00 O ATOM 674 CB THR A 44 -0.717 -10.855 -12.686 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.369 -11.468 -11.452 1.00 0.00 O ATOM 676 CG2 THR A 44 -0.941 -11.933 -13.730 1.00 0.00 C ATOM 0 H THR A 44 1.104 -8.939 -11.441 1.00 0.00 H new ATOM 0 HA THR A 44 0.912 -10.451 -13.971 1.00 0.00 H new ATOM 0 HB THR A 44 -1.627 -10.268 -12.560 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.099 -12.053 -11.160 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.752 -12.587 -13.410 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.203 -11.470 -14.681 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.029 -12.518 -13.850 1.00 0.00 H new ATOM 684 N TYR A 45 -0.297 -8.404 -14.866 1.00 0.00 N ATOM 685 CA TYR A 45 -0.732 -7.105 -15.329 1.00 0.00 C ATOM 686 C TYR A 45 -1.492 -7.139 -16.635 1.00 0.00 C ATOM 687 O TYR A 45 -1.297 -8.014 -17.477 1.00 0.00 O ATOM 688 CB TYR A 45 0.517 -6.254 -15.400 1.00 0.00 C ATOM 689 CG TYR A 45 0.373 -5.072 -16.326 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.233 -3.876 -15.890 1.00 0.00 C ATOM 691 CD2 TYR A 45 0.870 -5.153 -17.638 1.00 0.00 C ATOM 692 CE1 TYR A 45 -0.361 -2.789 -16.774 1.00 0.00 C ATOM 693 CE2 TYR A 45 0.751 -4.062 -18.518 1.00 0.00 C ATOM 694 CZ TYR A 45 0.127 -2.883 -18.087 1.00 0.00 C ATOM 695 OH TYR A 45 0.027 -1.805 -18.941 1.00 0.00 O ATOM 0 H TYR A 45 -0.174 -9.113 -15.589 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.462 -6.685 -14.637 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.764 -5.897 -14.400 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.352 -6.871 -15.734 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.599 -3.794 -14.877 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.348 -6.061 -17.974 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.837 -1.878 -16.441 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.139 -4.133 -19.523 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.243 -1.010 -18.435 1.00 0.00 H new ATOM 705 N ASP A 46 -2.326 -6.123 -16.803 1.00 0.00 N ATOM 706 CA ASP A 46 -3.110 -5.927 -18.009 1.00 0.00 C ATOM 707 C ASP A 46 -2.919 -4.480 -18.471 1.00 0.00 C ATOM 708 O ASP A 46 -2.946 -3.560 -17.648 1.00 0.00 O ATOM 709 CB ASP A 46 -4.588 -6.256 -17.692 1.00 0.00 C ATOM 710 CG ASP A 46 -5.401 -4.980 -17.533 1.00 0.00 C ATOM 711 OD1 ASP A 46 -5.336 -4.119 -18.444 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.060 -4.794 -16.482 1.00 0.00 O ATOM 0 H ASP A 46 -2.478 -5.404 -16.096 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.790 -6.585 -18.817 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.010 -6.865 -18.492 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.646 -6.846 -16.778 1.00 0.00 H new ATOM 717 N ASP A 47 -2.778 -4.259 -19.763 1.00 0.00 N ATOM 718 CA ASP A 47 -2.653 -2.905 -20.257 1.00 0.00 C ATOM 719 C ASP A 47 -4.031 -2.296 -20.498 1.00 0.00 C ATOM 720 O ASP A 47 -4.376 -1.229 -19.986 1.00 0.00 O ATOM 721 CB ASP A 47 -1.934 -2.980 -21.595 1.00 0.00 C ATOM 722 CG ASP A 47 -0.581 -3.654 -21.443 1.00 0.00 C ATOM 723 OD1 ASP A 47 -0.548 -4.908 -21.433 1.00 0.00 O ATOM 724 OD2 ASP A 47 0.447 -2.953 -21.289 1.00 0.00 O ATOM 0 H ASP A 47 -2.748 -4.986 -20.478 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.115 -2.295 -19.532 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.543 -3.534 -22.310 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.802 -1.976 -21.999 1.00 0.00 H new ATOM 729 N ALA A 48 -4.733 -2.949 -21.407 1.00 0.00 N ATOM 730 CA ALA A 48 -6.043 -2.511 -21.944 1.00 0.00 C ATOM 731 C ALA A 48 -7.225 -2.773 -21.042 1.00 0.00 C ATOM 732 O ALA A 48 -8.359 -2.445 -21.384 1.00 0.00 O ATOM 733 CB ALA A 48 -6.299 -3.236 -23.263 1.00 0.00 C ATOM 0 H ALA A 48 -4.412 -3.827 -21.815 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.967 -1.429 -22.054 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.261 -2.923 -23.670 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.508 -2.991 -23.972 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.311 -4.312 -23.090 1.00 0.00 H new ATOM 739 N THR A 49 -6.962 -3.319 -19.897 1.00 0.00 N ATOM 740 CA THR A 49 -7.998 -3.592 -18.918 1.00 0.00 C ATOM 741 C THR A 49 -7.494 -3.020 -17.614 1.00 0.00 C ATOM 742 O THR A 49 -8.000 -3.332 -16.538 1.00 0.00 O ATOM 743 CB THR A 49 -8.290 -5.113 -18.815 1.00 0.00 C ATOM 744 OG1 THR A 49 -7.939 -5.595 -17.529 1.00 0.00 O ATOM 745 CG2 THR A 49 -7.502 -5.883 -19.883 1.00 0.00 C ATOM 0 H THR A 49 -6.025 -3.593 -19.602 1.00 0.00 H new ATOM 0 HA THR A 49 -8.947 -3.136 -19.200 1.00 0.00 H new ATOM 0 HB THR A 49 -9.357 -5.268 -18.978 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.385 -5.054 -16.844 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.718 -6.948 -19.797 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.793 -5.532 -20.873 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.435 -5.716 -19.738 1.00 0.00 H new ATOM 753 N LYS A 50 -6.459 -2.160 -17.750 1.00 0.00 N ATOM 754 CA LYS A 50 -5.800 -1.490 -16.644 1.00 0.00 C ATOM 755 C LYS A 50 -6.000 -2.227 -15.357 1.00 0.00 C ATOM 756 O LYS A 50 -6.925 -1.953 -14.592 1.00 0.00 O ATOM 757 CB LYS A 50 -6.251 -0.016 -16.517 1.00 0.00 C ATOM 758 CG LYS A 50 -7.079 0.395 -17.739 1.00 0.00 C ATOM 759 CD LYS A 50 -8.512 -0.204 -17.645 1.00 0.00 C ATOM 760 CE LYS A 50 -9.571 0.910 -17.717 1.00 0.00 C ATOM 761 NZ LYS A 50 -10.907 0.370 -17.329 1.00 0.00 N ATOM 0 H LYS A 50 -6.062 -1.918 -18.658 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.732 -1.489 -16.863 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.841 0.114 -15.610 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.379 0.632 -16.426 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.135 1.482 -17.800 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.592 0.049 -18.650 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.669 -0.915 -18.456 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.620 -0.756 -16.712 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.294 1.730 -17.054 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.614 1.318 -18.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.616 1.129 -17.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.173 -0.397 -17.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.864 0.002 -16.357 1.00 0.00 H new ATOM 775 N THR A 51 -5.095 -3.132 -15.096 1.00 0.00 N ATOM 776 CA THR A 51 -5.161 -3.868 -13.836 1.00 0.00 C ATOM 777 C THR A 51 -3.807 -4.394 -13.417 1.00 0.00 C ATOM 778 O THR A 51 -2.940 -4.672 -14.248 1.00 0.00 O ATOM 779 CB THR A 51 -6.145 -5.030 -13.918 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.366 -4.574 -14.487 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.398 -5.580 -12.507 1.00 0.00 C ATOM 0 H THR A 51 -4.320 -3.382 -15.710 1.00 0.00 H new ATOM 0 HA THR A 51 -5.508 -3.157 -13.086 1.00 0.00 H new ATOM 0 HB THR A 51 -5.732 -5.821 -14.544 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.251 -4.450 -15.452 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.101 -6.411 -12.561 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.458 -5.927 -12.078 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.815 -4.793 -11.879 1.00 0.00 H new ATOM 789 N PHE A 52 -3.645 -4.558 -12.115 1.00 0.00 N ATOM 790 CA PHE A 52 -2.434 -5.092 -11.532 1.00 0.00 C ATOM 791 C PHE A 52 -2.787 -6.121 -10.491 1.00 0.00 C ATOM 792 O PHE A 52 -3.785 -5.997 -9.772 1.00 0.00 O ATOM 793 CB PHE A 52 -1.581 -3.981 -10.900 1.00 0.00 C ATOM 794 CG PHE A 52 -0.485 -3.563 -11.807 1.00 0.00 C ATOM 795 CD1 PHE A 52 0.481 -4.521 -12.170 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.364 -2.237 -12.267 1.00 0.00 C ATOM 797 CE1 PHE A 52 1.564 -4.157 -12.992 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.725 -1.872 -13.078 1.00 0.00 C ATOM 799 CZ PHE A 52 1.689 -2.829 -13.435 1.00 0.00 C ATOM 0 H PHE A 52 -4.361 -4.320 -11.429 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.848 -5.556 -12.325 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.212 -3.123 -10.668 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.162 -4.333 -9.957 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.391 -5.538 -11.817 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.107 -1.501 -11.997 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.297 -4.896 -13.281 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.820 -0.854 -13.427 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.529 -2.544 -14.052 1.00 0.00 H new ATOM 809 N THR A 53 -1.922 -7.110 -10.374 1.00 0.00 N ATOM 810 CA THR A 53 -2.107 -8.146 -9.382 1.00 0.00 C ATOM 811 C THR A 53 -0.787 -8.407 -8.672 1.00 0.00 C ATOM 812 O THR A 53 0.137 -8.976 -9.255 1.00 0.00 O ATOM 813 CB THR A 53 -2.596 -9.421 -10.085 1.00 0.00 C ATOM 814 OG1 THR A 53 -3.363 -9.056 -11.223 1.00 0.00 O ATOM 815 CG2 THR A 53 -3.459 -10.280 -9.155 1.00 0.00 C ATOM 0 H THR A 53 -1.088 -7.216 -10.952 1.00 0.00 H new ATOM 0 HA THR A 53 -2.846 -7.835 -8.643 1.00 0.00 H new ATOM 0 HB THR A 53 -1.724 -10.006 -10.378 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.678 -9.865 -11.679 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.787 -11.174 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.875 -10.571 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.330 -9.708 -8.835 1.00 0.00 H new ATOM 823 N VAL A 54 -0.730 -8.070 -7.392 1.00 0.00 N ATOM 824 CA VAL A 54 0.455 -8.355 -6.590 1.00 0.00 C ATOM 825 C VAL A 54 0.122 -9.657 -5.871 1.00 0.00 C ATOM 826 O VAL A 54 -0.976 -9.794 -5.321 1.00 0.00 O ATOM 827 CB VAL A 54 0.742 -7.205 -5.608 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.816 -7.629 -4.595 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.236 -5.965 -6.384 1.00 0.00 C ATOM 0 H VAL A 54 -1.483 -7.602 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 54 1.360 -8.450 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.178 -6.962 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.011 -6.807 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.466 -8.497 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.734 -7.884 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.438 -5.154 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.150 -6.214 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.470 -5.650 -7.093 1.00 0.00 H new ATOM 839 N THR A 55 1.059 -10.607 -5.867 1.00 0.00 N ATOM 840 CA THR A 55 0.787 -11.894 -5.196 1.00 0.00 C ATOM 841 C THR A 55 1.973 -12.483 -4.440 1.00 0.00 C ATOM 842 O THR A 55 2.869 -13.082 -5.018 1.00 0.00 O ATOM 843 CB THR A 55 0.237 -12.882 -6.239 1.00 0.00 C ATOM 844 OG1 THR A 55 -1.075 -12.474 -6.608 1.00 0.00 O ATOM 845 CG2 THR A 55 0.183 -14.306 -5.672 1.00 0.00 C ATOM 0 H THR A 55 1.979 -10.524 -6.300 1.00 0.00 H new ATOM 0 HA THR A 55 0.048 -11.702 -4.418 1.00 0.00 H new ATOM 0 HB THR A 55 0.897 -12.883 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.436 -13.096 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.209 -14.985 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.186 -14.622 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.466 -14.325 -4.797 1.00 0.00 H new ATOM 853 N GLU A 56 1.909 -12.372 -3.123 1.00 0.00 N ATOM 854 CA GLU A 56 2.953 -12.936 -2.278 1.00 0.00 C ATOM 855 C GLU A 56 3.239 -14.373 -2.717 1.00 0.00 C ATOM 856 O GLU A 56 2.290 -15.067 -3.049 1.00 0.00 O ATOM 857 CB GLU A 56 2.526 -12.921 -0.805 1.00 0.00 C ATOM 858 CG GLU A 56 3.759 -13.086 0.100 1.00 0.00 C ATOM 859 CD GLU A 56 4.357 -14.476 -0.095 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.576 -15.416 -0.367 1.00 0.00 O ATOM 861 OE2 GLU A 56 5.599 -14.610 -0.066 1.00 0.00 O ATOM 862 OXT GLU A 56 4.396 -14.755 -2.717 1.00 0.00 O ATOM 0 H GLU A 56 1.156 -11.903 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 56 3.854 -12.331 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.018 -11.985 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.815 -13.725 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.501 -12.324 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.478 -12.943 1.143 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.229 -6.904 19.281 1.00 0.00 N ATOM 871 CA MET B 1 -5.408 -7.305 18.450 1.00 0.00 C ATOM 872 C MET B 1 -5.337 -6.634 17.072 1.00 0.00 C ATOM 873 O MET B 1 -4.255 -6.297 16.597 1.00 0.00 O ATOM 874 CB MET B 1 -6.698 -6.931 19.205 1.00 0.00 C ATOM 875 CG MET B 1 -7.046 -5.436 19.045 1.00 0.00 C ATOM 876 SD MET B 1 -5.546 -4.422 18.945 1.00 0.00 S ATOM 877 CE MET B 1 -5.065 -4.449 20.694 1.00 0.00 C ATOM 0 H1 MET B 1 -4.407 -7.147 20.276 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.382 -7.407 18.948 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.078 -5.878 19.197 1.00 0.00 H new ATOM 0 HA MET B 1 -5.404 -8.382 18.283 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.524 -7.538 18.834 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.580 -7.165 20.263 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.645 -5.293 18.146 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.654 -5.109 19.889 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.080 -3.434 21.091 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.766 -5.068 21.255 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.060 -4.861 20.789 1.00 0.00 H new ATOM 889 N GLN B 2 -6.491 -6.449 16.434 1.00 0.00 N ATOM 890 CA GLN B 2 -6.536 -5.826 15.112 1.00 0.00 C ATOM 891 C GLN B 2 -6.217 -4.339 15.209 1.00 0.00 C ATOM 892 O GLN B 2 -6.895 -3.605 15.919 1.00 0.00 O ATOM 893 CB GLN B 2 -7.937 -5.998 14.491 1.00 0.00 C ATOM 894 CG GLN B 2 -7.860 -5.787 12.968 1.00 0.00 C ATOM 895 CD GLN B 2 -7.287 -7.035 12.324 1.00 0.00 C ATOM 896 OE1 GLN B 2 -6.168 -6.987 11.639 1.00 0.00 O flip ATOM 897 NE2 GLN B 2 -7.837 -8.109 12.539 1.00 0.00 N flip ATOM 0 H GLN B 2 -7.401 -6.719 16.807 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.792 -6.314 14.483 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.323 -6.993 14.711 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.631 -5.283 14.932 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.852 -5.578 12.566 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.235 -4.924 12.739 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -8.706 -8.139 13.072 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -7.426 -8.973 12.185 1.00 0.00 H new ATOM 906 N TYR B 3 -5.224 -3.903 14.428 1.00 0.00 N ATOM 907 CA TYR B 3 -4.829 -2.492 14.342 1.00 0.00 C ATOM 908 C TYR B 3 -5.170 -2.066 12.945 1.00 0.00 C ATOM 909 O TYR B 3 -5.213 -2.923 12.063 1.00 0.00 O ATOM 910 CB TYR B 3 -3.312 -2.330 14.625 1.00 0.00 C ATOM 911 CG TYR B 3 -3.115 -2.436 16.110 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.893 -3.691 16.712 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.259 -1.293 16.920 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.836 -3.808 18.113 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.197 -1.413 18.321 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.997 -2.668 18.916 1.00 0.00 C ATOM 917 OH TYR B 3 -2.917 -2.783 20.288 1.00 0.00 O ATOM 0 H TYR B 3 -4.669 -4.520 13.835 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.344 -1.879 15.081 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.741 -3.100 14.107 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.954 -1.368 14.259 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.766 -4.568 16.094 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.417 -0.326 16.467 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.669 -4.772 18.569 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.304 -0.535 18.941 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.049 -1.903 20.698 1.00 0.00 H new ATOM 927 N LYS B 4 -5.431 -0.784 12.683 1.00 0.00 N ATOM 928 CA LYS B 4 -5.781 -0.371 11.330 1.00 0.00 C ATOM 929 C LYS B 4 -4.905 0.781 10.896 1.00 0.00 C ATOM 930 O LYS B 4 -4.748 1.761 11.617 1.00 0.00 O ATOM 931 CB LYS B 4 -7.255 0.047 11.319 1.00 0.00 C ATOM 932 CG LYS B 4 -7.621 0.688 9.986 1.00 0.00 C ATOM 933 CD LYS B 4 -9.138 0.856 9.929 1.00 0.00 C ATOM 934 CE LYS B 4 -9.554 1.419 8.571 1.00 0.00 C ATOM 935 NZ LYS B 4 -11.042 1.387 8.466 1.00 0.00 N ATOM 0 H LYS B 4 -5.407 -0.033 13.373 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.625 -1.196 10.635 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.887 -0.824 11.496 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.446 0.749 12.131 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.129 1.655 9.883 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.278 0.066 9.160 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.625 -0.105 10.097 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.468 1.524 10.725 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.191 2.441 8.460 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.107 0.833 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.351 2.041 7.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.353 0.422 8.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -11.460 1.676 9.373 1.00 0.00 H new ATOM 949 N LEU B 5 -4.348 0.637 9.697 1.00 0.00 N ATOM 950 CA LEU B 5 -3.469 1.643 9.113 1.00 0.00 C ATOM 951 C LEU B 5 -4.246 2.532 8.163 1.00 0.00 C ATOM 952 O LEU B 5 -4.623 2.107 7.073 1.00 0.00 O ATOM 953 CB LEU B 5 -2.342 0.904 8.360 1.00 0.00 C ATOM 954 CG LEU B 5 -1.184 1.835 7.937 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.672 2.877 6.916 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.557 2.533 9.165 1.00 0.00 C ATOM 0 H LEU B 5 -4.494 -0.180 9.104 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.048 2.278 9.892 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.949 0.110 8.995 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.758 0.426 7.473 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.415 1.223 7.466 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.842 3.523 6.631 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -2.056 2.368 6.032 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.464 3.479 7.361 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.256 3.182 8.839 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.316 3.128 9.672 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.167 1.781 9.851 1.00 0.00 H new ATOM 968 N ILE B 6 -4.451 3.788 8.571 1.00 0.00 N ATOM 969 CA ILE B 6 -5.148 4.751 7.722 1.00 0.00 C ATOM 970 C ILE B 6 -4.098 5.560 6.997 1.00 0.00 C ATOM 971 O ILE B 6 -3.194 6.111 7.627 1.00 0.00 O ATOM 972 CB ILE B 6 -6.031 5.677 8.563 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.043 4.814 9.311 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.768 6.668 7.648 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.834 5.654 10.319 1.00 0.00 C ATOM 0 H ILE B 6 -4.148 4.156 9.473 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.794 4.229 7.016 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.422 6.243 9.268 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.727 4.350 8.601 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.526 4.007 9.830 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.395 7.324 8.252 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -6.041 7.266 7.098 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.392 6.118 6.944 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.549 5.018 10.841 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.148 6.097 11.041 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.368 6.446 9.793 1.00 0.00 H new ATOM 987 N LEU B 7 -4.181 5.598 5.672 1.00 0.00 N ATOM 988 CA LEU B 7 -3.187 6.316 4.891 1.00 0.00 C ATOM 989 C LEU B 7 -3.680 7.695 4.488 1.00 0.00 C ATOM 990 O LEU B 7 -4.627 7.841 3.717 1.00 0.00 O ATOM 991 CB LEU B 7 -2.823 5.513 3.647 1.00 0.00 C ATOM 992 CG LEU B 7 -1.633 6.164 2.923 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.353 6.051 3.778 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.441 5.472 1.563 1.00 0.00 C ATOM 0 H LEU B 7 -4.915 5.147 5.125 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.303 6.445 5.516 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.572 4.490 3.927 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.681 5.459 2.976 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.835 7.224 2.766 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.479 6.517 3.250 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.507 6.556 4.732 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.126 5.000 3.957 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.599 5.925 1.040 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.243 4.412 1.719 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.345 5.588 0.965 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.940 8.692 4.955 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.204 10.080 4.594 1.00 0.00 C ATOM 1008 C ASN B 8 -1.959 10.668 3.981 1.00 0.00 C ATOM 1009 O ASN B 8 -0.853 10.498 4.496 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.656 10.923 5.784 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.474 10.101 6.757 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -3.959 9.896 7.947 1.00 0.00 O flip ATOM 1013 ND2 ASN B 8 -5.620 9.762 6.483 1.00 0.00 N flip ATOM 0 H ASN B 8 -2.149 8.565 5.587 1.00 0.00 H new ATOM 0 HA ASN B 8 -4.025 10.091 3.878 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.785 11.334 6.294 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.247 11.768 5.431 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.993 9.934 5.550 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -6.200 9.308 7.188 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.152 11.353 2.884 1.00 0.00 N ATOM 1021 CA GLY B 9 -1.047 11.969 2.193 1.00 0.00 C ATOM 1022 C GLY B 9 -1.494 12.597 0.888 1.00 0.00 C ATOM 1023 O GLY B 9 -2.630 13.052 0.762 1.00 0.00 O ATOM 0 H GLY B 9 -3.063 11.499 2.449 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.596 12.730 2.830 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.278 11.223 1.995 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.575 12.629 -0.074 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.838 13.218 -1.388 1.00 0.00 C ATOM 1029 C LYS B 10 -0.570 12.187 -2.484 1.00 0.00 C ATOM 1030 O LYS B 10 -1.496 11.705 -3.137 1.00 0.00 O ATOM 1031 CB LYS B 10 0.082 14.435 -1.586 1.00 0.00 C ATOM 1032 CG LYS B 10 0.089 15.324 -0.324 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.289 15.944 -0.082 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.235 16.834 1.159 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.576 17.441 1.378 1.00 0.00 N ATOM 0 H LYS B 10 0.366 12.251 0.032 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.881 13.531 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.095 14.099 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.255 15.016 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.382 14.730 0.542 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.832 16.113 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.594 16.529 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.034 15.160 0.052 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.940 16.248 2.030 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.485 17.614 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.548 18.049 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.839 18.011 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.279 16.688 1.517 1.00 0.00 H new ATOM 1049 N THR B 11 0.701 11.843 -2.665 1.00 0.00 N ATOM 1050 CA THR B 11 1.092 10.857 -3.668 1.00 0.00 C ATOM 1051 C THR B 11 0.483 9.503 -3.329 1.00 0.00 C ATOM 1052 O THR B 11 0.453 8.595 -4.160 1.00 0.00 O ATOM 1053 CB THR B 11 2.619 10.718 -3.698 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.206 11.931 -4.143 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.016 9.587 -4.643 1.00 0.00 C ATOM 0 H THR B 11 1.478 12.232 -2.131 1.00 0.00 H new ATOM 0 HA THR B 11 0.733 11.190 -4.642 1.00 0.00 H new ATOM 0 HB THR B 11 2.974 10.493 -2.692 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.181 11.836 -4.158 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.102 9.492 -4.661 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.576 8.652 -4.297 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.654 9.808 -5.647 1.00 0.00 H new ATOM 1063 N LEU B 12 0.001 9.378 -2.099 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.597 8.122 -1.656 1.00 0.00 C ATOM 1065 C LEU B 12 -1.780 8.382 -0.716 1.00 0.00 C ATOM 1066 O LEU B 12 -1.706 9.225 0.176 1.00 0.00 O ATOM 1067 CB LEU B 12 0.495 7.271 -0.966 1.00 0.00 C ATOM 1068 CG LEU B 12 0.349 5.770 -1.323 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.612 5.550 -2.835 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.351 4.923 -0.482 1.00 0.00 C ATOM 0 H LEU B 12 0.011 10.119 -1.398 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.988 7.577 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.480 7.625 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.429 7.398 0.115 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.668 5.452 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.506 4.491 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.107 6.126 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.622 5.878 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.242 3.869 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.370 5.245 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.143 5.061 0.579 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.838 7.588 -0.883 1.00 0.00 N ATOM 1083 CA LYS B 13 -4.018 7.651 -0.023 1.00 0.00 C ATOM 1084 C LYS B 13 -4.638 6.256 0.002 1.00 0.00 C ATOM 1085 O LYS B 13 -4.718 5.604 -1.038 1.00 0.00 O ATOM 1086 CB LYS B 13 -5.047 8.671 -0.521 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.496 10.105 -0.392 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.583 11.103 -0.837 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.034 12.546 -0.865 1.00 0.00 C ATOM 1090 NZ LYS B 13 -5.139 13.183 0.490 1.00 0.00 N ATOM 0 H LYS B 13 -2.900 6.884 -1.618 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.718 7.974 0.974 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.298 8.464 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.968 8.577 0.054 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.202 10.304 0.639 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.603 10.222 -1.007 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.948 10.830 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.433 11.047 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.993 12.538 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.589 13.137 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.621 14.101 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.682 12.563 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.186 13.327 0.880 1.00 0.00 H new ATOM 1104 N GLY B 14 -5.061 5.780 1.172 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.644 4.436 1.257 1.00 0.00 C ATOM 1106 C GLY B 14 -5.856 3.992 2.704 1.00 0.00 C ATOM 1107 O GLY B 14 -5.758 4.792 3.641 1.00 0.00 O ATOM 0 H GLY B 14 -5.015 6.288 2.056 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.598 4.421 0.730 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.990 3.725 0.752 1.00 0.00 H new ATOM 1111 N GLU B 15 -6.153 2.702 2.874 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.385 2.129 4.203 1.00 0.00 C ATOM 1113 C GLU B 15 -6.037 0.626 4.231 1.00 0.00 C ATOM 1114 O GLU B 15 -6.650 -0.166 3.519 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.867 2.257 4.586 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.279 3.701 4.894 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.783 3.712 5.121 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.200 3.461 6.274 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.541 3.846 4.135 1.00 0.00 O ATOM 0 H GLU B 15 -6.239 2.034 2.108 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.750 2.675 4.901 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.482 1.874 3.772 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -8.067 1.633 5.457 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.756 4.068 5.777 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -8.012 4.360 4.068 1.00 0.00 H new ATOM 1126 N THR B 16 -5.075 0.240 5.072 1.00 0.00 N ATOM 1127 CA THR B 16 -4.690 -1.177 5.205 1.00 0.00 C ATOM 1128 C THR B 16 -4.893 -1.581 6.662 1.00 0.00 C ATOM 1129 O THR B 16 -4.971 -0.713 7.530 1.00 0.00 O ATOM 1130 CB THR B 16 -3.232 -1.410 4.757 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.354 -1.120 5.830 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.879 -0.513 3.546 1.00 0.00 C ATOM 0 H THR B 16 -4.549 0.878 5.669 1.00 0.00 H new ATOM 0 HA THR B 16 -5.312 -1.793 4.556 1.00 0.00 H new ATOM 0 HB THR B 16 -3.124 -2.453 4.461 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.428 -1.270 5.545 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.846 -0.694 3.248 1.00 0.00 H new ATOM 0 HG22 THR B 16 -3.543 -0.747 2.714 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.998 0.535 3.822 1.00 0.00 H new ATOM 1140 N THR B 17 -5.007 -2.881 6.956 1.00 0.00 N ATOM 1141 CA THR B 17 -5.234 -3.323 8.336 1.00 0.00 C ATOM 1142 C THR B 17 -4.560 -4.675 8.567 1.00 0.00 C ATOM 1143 O THR B 17 -4.553 -5.540 7.689 1.00 0.00 O ATOM 1144 CB THR B 17 -6.759 -3.453 8.576 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.388 -2.220 8.258 1.00 0.00 O ATOM 1146 CG2 THR B 17 -7.075 -3.812 10.039 1.00 0.00 C ATOM 0 H THR B 17 -4.947 -3.634 6.270 1.00 0.00 H new ATOM 0 HA THR B 17 -4.810 -2.595 9.028 1.00 0.00 H new ATOM 0 HB THR B 17 -7.134 -4.254 7.939 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.354 -2.297 8.407 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.154 -3.894 10.168 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.606 -4.763 10.290 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.689 -3.033 10.696 1.00 0.00 H new ATOM 1154 N THR B 18 -3.989 -4.841 9.755 1.00 0.00 N ATOM 1155 CA THR B 18 -3.309 -6.093 10.112 1.00 0.00 C ATOM 1156 C THR B 18 -3.552 -6.424 11.571 1.00 0.00 C ATOM 1157 O THR B 18 -3.703 -5.513 12.391 1.00 0.00 O ATOM 1158 CB THR B 18 -1.788 -5.965 9.869 1.00 0.00 C ATOM 1159 OG1 THR B 18 -1.250 -7.263 9.663 1.00 0.00 O ATOM 1160 CG2 THR B 18 -1.073 -5.319 11.080 1.00 0.00 C ATOM 0 H THR B 18 -3.980 -4.132 10.488 1.00 0.00 H new ATOM 0 HA THR B 18 -3.710 -6.890 9.487 1.00 0.00 H new ATOM 0 HB THR B 18 -1.631 -5.330 8.997 1.00 0.00 H new ATOM 0 HG1 THR B 18 -0.285 -7.196 9.506 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.005 -5.244 10.875 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.480 -4.323 11.254 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.230 -5.934 11.966 1.00 0.00 H new ATOM 1168 N GLU B 19 -3.498 -7.704 11.928 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.620 -8.117 13.310 1.00 0.00 C ATOM 1170 C GLU B 19 -2.273 -8.721 13.627 1.00 0.00 C ATOM 1171 O GLU B 19 -1.804 -9.595 12.900 1.00 0.00 O ATOM 1172 CB GLU B 19 -4.700 -9.189 13.464 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.978 -9.468 14.947 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.935 -10.647 15.033 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -5.477 -11.774 14.740 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -7.151 -10.433 15.231 1.00 0.00 O ATOM 0 H GLU B 19 -3.370 -8.472 11.270 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.894 -7.289 13.964 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.616 -8.863 12.972 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -4.382 -10.107 12.969 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -4.050 -9.692 15.473 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -5.412 -8.590 15.425 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.616 -8.215 14.650 1.00 0.00 N ATOM 1184 CA ALA B 20 -0.273 -8.664 14.973 1.00 0.00 C ATOM 1185 C ALA B 20 -0.268 -9.510 16.219 1.00 0.00 C ATOM 1186 O ALA B 20 -1.302 -9.748 16.838 1.00 0.00 O ATOM 1187 CB ALA B 20 0.622 -7.442 15.167 1.00 0.00 C ATOM 0 H ALA B 20 -1.986 -7.496 15.271 1.00 0.00 H new ATOM 0 HA ALA B 20 0.102 -9.277 14.154 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.634 -7.767 15.410 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.640 -6.855 14.249 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.232 -6.831 15.981 1.00 0.00 H new ATOM 1193 N VAL B 21 0.914 -9.977 16.583 1.00 0.00 N ATOM 1194 CA VAL B 21 1.033 -10.797 17.762 1.00 0.00 C ATOM 1195 C VAL B 21 0.500 -9.984 18.946 1.00 0.00 C ATOM 1196 O VAL B 21 -0.147 -10.521 19.849 1.00 0.00 O ATOM 1197 CB VAL B 21 2.502 -11.226 17.948 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.276 -10.142 18.702 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.565 -12.559 18.718 1.00 0.00 C ATOM 0 H VAL B 21 1.787 -9.803 16.085 1.00 0.00 H new ATOM 0 HA VAL B 21 0.450 -11.714 17.678 1.00 0.00 H new ATOM 0 HB VAL B 21 2.959 -11.362 16.968 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.312 -10.456 18.828 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.245 -9.212 18.135 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.823 -9.986 19.681 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.606 -12.856 18.846 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.100 -12.437 19.696 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.034 -13.328 18.157 1.00 0.00 H new ATOM 1209 N ASP B 22 0.752 -8.672 18.914 1.00 0.00 N ATOM 1210 CA ASP B 22 0.280 -7.782 19.945 1.00 0.00 C ATOM 1211 C ASP B 22 0.526 -6.317 19.536 1.00 0.00 C ATOM 1212 O ASP B 22 1.079 -6.020 18.472 1.00 0.00 O ATOM 1213 CB ASP B 22 0.978 -8.075 21.278 1.00 0.00 C ATOM 1214 CG ASP B 22 0.418 -7.149 22.354 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.818 -7.149 22.561 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.196 -6.325 22.894 1.00 0.00 O ATOM 0 H ASP B 22 1.285 -8.214 18.175 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.791 -7.944 20.071 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.824 -9.116 21.561 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.053 -7.928 21.179 1.00 0.00 H new ATOM 1221 N ALA B 23 0.059 -5.429 20.387 1.00 0.00 N ATOM 1222 CA ALA B 23 0.159 -3.993 20.140 1.00 0.00 C ATOM 1223 C ALA B 23 1.584 -3.603 19.714 1.00 0.00 C ATOM 1224 O ALA B 23 1.778 -2.869 18.757 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.219 -3.235 21.415 1.00 0.00 C ATOM 0 H ALA B 23 -0.399 -5.672 21.266 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.523 -3.731 19.331 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.146 -2.162 21.236 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.241 -3.487 21.698 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.460 -3.515 22.220 1.00 0.00 H new ATOM 1231 N ALA B 24 2.580 -4.069 20.443 1.00 0.00 N ATOM 1232 CA ALA B 24 3.967 -3.734 20.149 1.00 0.00 C ATOM 1233 C ALA B 24 4.398 -4.182 18.749 1.00 0.00 C ATOM 1234 O ALA B 24 5.281 -3.576 18.147 1.00 0.00 O ATOM 1235 CB ALA B 24 4.874 -4.398 21.185 1.00 0.00 C ATOM 0 H ALA B 24 2.457 -4.684 21.248 1.00 0.00 H new ATOM 0 HA ALA B 24 4.055 -2.648 20.188 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.914 -4.151 20.970 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.614 -4.038 22.180 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.742 -5.479 21.144 1.00 0.00 H new ATOM 1241 N THR B 25 3.779 -5.234 18.231 1.00 0.00 N ATOM 1242 CA THR B 25 4.146 -5.721 16.896 1.00 0.00 C ATOM 1243 C THR B 25 3.396 -4.992 15.791 1.00 0.00 C ATOM 1244 O THR B 25 4.013 -4.463 14.862 1.00 0.00 O ATOM 1245 CB THR B 25 3.929 -7.219 16.779 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.654 -7.859 17.818 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.442 -7.709 15.419 1.00 0.00 C ATOM 0 H THR B 25 3.038 -5.759 18.695 1.00 0.00 H new ATOM 0 HA THR B 25 5.208 -5.510 16.769 1.00 0.00 H new ATOM 0 HB THR B 25 2.867 -7.451 16.862 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.194 -8.585 17.441 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.285 -8.785 15.337 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.900 -7.201 14.621 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.506 -7.490 15.331 1.00 0.00 H new ATOM 1255 N ALA B 26 2.076 -4.935 15.883 1.00 0.00 N ATOM 1256 CA ALA B 26 1.309 -4.244 14.857 1.00 0.00 C ATOM 1257 C ALA B 26 1.827 -2.825 14.735 1.00 0.00 C ATOM 1258 O ALA B 26 1.887 -2.257 13.644 1.00 0.00 O ATOM 1259 CB ALA B 26 -0.196 -4.260 15.213 1.00 0.00 C ATOM 0 H ALA B 26 1.525 -5.347 16.636 1.00 0.00 H new ATOM 0 HA ALA B 26 1.426 -4.750 13.899 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.759 -3.740 14.438 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.542 -5.291 15.283 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.349 -3.760 16.169 1.00 0.00 H new ATOM 1265 N GLU B 27 2.228 -2.272 15.862 1.00 0.00 N ATOM 1266 CA GLU B 27 2.778 -0.937 15.883 1.00 0.00 C ATOM 1267 C GLU B 27 4.110 -0.945 15.145 1.00 0.00 C ATOM 1268 O GLU B 27 4.361 -0.142 14.236 1.00 0.00 O ATOM 1269 CB GLU B 27 2.963 -0.472 17.344 1.00 0.00 C ATOM 1270 CG GLU B 27 1.632 0.032 17.956 1.00 0.00 C ATOM 1271 CD GLU B 27 0.488 -0.962 17.748 1.00 0.00 C ATOM 1272 OE1 GLU B 27 0.179 -1.313 16.589 1.00 0.00 O ATOM 1273 OE2 GLU B 27 -0.071 -1.412 18.772 1.00 0.00 O ATOM 0 H GLU B 27 2.182 -2.728 16.773 1.00 0.00 H new ATOM 0 HA GLU B 27 2.099 -0.242 15.389 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.350 -1.297 17.943 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.706 0.325 17.381 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.768 0.208 19.023 1.00 0.00 H new ATOM 0 HG3 GLU B 27 1.366 0.989 17.506 1.00 0.00 H new ATOM 1280 N LYS B 28 4.946 -1.876 15.556 1.00 0.00 N ATOM 1281 CA LYS B 28 6.281 -2.034 14.975 1.00 0.00 C ATOM 1282 C LYS B 28 6.263 -2.257 13.466 1.00 0.00 C ATOM 1283 O LYS B 28 7.073 -1.677 12.747 1.00 0.00 O ATOM 1284 CB LYS B 28 6.991 -3.238 15.615 1.00 0.00 C ATOM 1285 CG LYS B 28 8.384 -3.441 14.991 1.00 0.00 C ATOM 1286 CD LYS B 28 9.063 -4.657 15.626 1.00 0.00 C ATOM 1287 CE LYS B 28 10.399 -4.944 14.913 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.188 -5.988 13.872 1.00 0.00 N ATOM 0 H LYS B 28 4.730 -2.544 16.296 1.00 0.00 H new ATOM 0 HA LYS B 28 6.806 -1.100 15.175 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.087 -3.081 16.689 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.390 -4.137 15.477 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.293 -3.584 13.914 1.00 0.00 H new ATOM 0 HG3 LYS B 28 8.994 -2.551 15.144 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.239 -4.474 16.686 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.410 -5.527 15.557 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.784 -4.032 14.457 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.145 -5.279 15.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 11.088 -6.184 13.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.839 -6.859 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 9.490 -5.651 13.179 1.00 0.00 H new ATOM 1302 N VAL B 29 5.389 -3.122 12.984 1.00 0.00 N ATOM 1303 CA VAL B 29 5.395 -3.409 11.556 1.00 0.00 C ATOM 1304 C VAL B 29 5.054 -2.171 10.731 1.00 0.00 C ATOM 1305 O VAL B 29 5.805 -1.786 9.837 1.00 0.00 O ATOM 1306 CB VAL B 29 4.470 -4.600 11.238 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.020 -4.164 11.008 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.972 -5.332 9.992 1.00 0.00 C ATOM 0 H VAL B 29 4.690 -3.623 13.533 1.00 0.00 H new ATOM 0 HA VAL B 29 6.407 -3.697 11.271 1.00 0.00 H new ATOM 0 HB VAL B 29 4.491 -5.261 12.104 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.408 -5.038 10.787 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.641 -3.673 11.904 1.00 0.00 H new ATOM 0 HG13 VAL B 29 2.977 -3.470 10.168 1.00 0.00 H new ATOM 0 HG21 VAL B 29 4.313 -6.172 9.774 1.00 0.00 H new ATOM 0 HG22 VAL B 29 4.978 -4.646 9.145 1.00 0.00 H new ATOM 0 HG23 VAL B 29 5.983 -5.700 10.169 1.00 0.00 H new ATOM 1318 N PHE B 30 3.914 -1.578 11.008 1.00 0.00 N ATOM 1319 CA PHE B 30 3.487 -0.421 10.247 1.00 0.00 C ATOM 1320 C PHE B 30 4.575 0.653 10.263 1.00 0.00 C ATOM 1321 O PHE B 30 4.781 1.365 9.271 1.00 0.00 O ATOM 1322 CB PHE B 30 2.184 0.143 10.841 1.00 0.00 C ATOM 1323 CG PHE B 30 0.991 -0.752 10.545 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.687 -1.157 9.232 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.158 -1.167 11.608 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.436 -1.968 8.981 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.966 -1.973 11.356 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.255 -2.384 10.045 1.00 0.00 C ATOM 0 H PHE B 30 3.272 -1.871 11.744 1.00 0.00 H new ATOM 0 HA PHE B 30 3.308 -0.724 9.215 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.295 0.254 11.920 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.001 1.138 10.435 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.318 -0.844 8.413 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.386 -0.864 12.619 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -0.668 -2.271 7.971 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.607 -2.276 12.171 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.107 -3.020 9.854 1.00 0.00 H new ATOM 1338 N LYS B 31 5.238 0.794 11.411 1.00 0.00 N ATOM 1339 CA LYS B 31 6.279 1.812 11.582 1.00 0.00 C ATOM 1340 C LYS B 31 7.539 1.454 10.822 1.00 0.00 C ATOM 1341 O LYS B 31 8.403 2.301 10.587 1.00 0.00 O ATOM 1342 CB LYS B 31 6.551 2.007 13.084 1.00 0.00 C ATOM 1343 CG LYS B 31 6.753 3.491 13.409 1.00 0.00 C ATOM 1344 CD LYS B 31 6.791 3.666 14.918 1.00 0.00 C ATOM 1345 CE LYS B 31 6.828 5.163 15.242 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.748 5.365 16.718 1.00 0.00 N ATOM 0 H LYS B 31 5.074 0.218 12.236 1.00 0.00 H new ATOM 0 HA LYS B 31 5.929 2.755 11.163 1.00 0.00 H new ATOM 0 HB2 LYS B 31 5.717 1.613 13.664 1.00 0.00 H new ATOM 0 HB3 LYS B 31 7.437 1.442 13.375 1.00 0.00 H new ATOM 0 HG2 LYS B 31 7.681 3.851 12.965 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.944 4.084 12.981 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.916 3.203 15.374 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.667 3.168 15.333 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.746 5.605 14.855 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.998 5.671 14.751 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.774 6.383 16.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.860 4.958 17.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.554 4.895 17.177 1.00 0.00 H new ATOM 1360 N GLN B 32 7.608 0.215 10.392 1.00 0.00 N ATOM 1361 CA GLN B 32 8.747 -0.214 9.600 1.00 0.00 C ATOM 1362 C GLN B 32 8.581 0.268 8.147 1.00 0.00 C ATOM 1363 O GLN B 32 9.547 0.703 7.521 1.00 0.00 O ATOM 1364 CB GLN B 32 8.910 -1.745 9.664 1.00 0.00 C ATOM 1365 CG GLN B 32 10.421 -2.143 9.636 1.00 0.00 C ATOM 1366 CD GLN B 32 10.888 -2.828 10.930 1.00 0.00 C ATOM 1367 OE1 GLN B 32 10.112 -2.895 11.991 1.00 0.00 O flip ATOM 1368 NE2 GLN B 32 11.720 -3.697 10.705 1.00 0.00 N flip ATOM 0 H GLN B 32 6.907 -0.504 10.570 1.00 0.00 H new ATOM 0 HA GLN B 32 9.654 0.230 10.011 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.445 -2.127 10.573 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.392 -2.206 8.823 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.599 -2.811 8.794 1.00 0.00 H new ATOM 0 HG3 GLN B 32 11.023 -1.250 9.467 1.00 0.00 H new ATOM 0 HE21 GLN B 32 12.315 -3.632 9.879 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.819 -4.486 11.344 1.00 0.00 H new ATOM 1377 N TYR B 33 7.351 0.176 7.616 1.00 0.00 N ATOM 1378 CA TYR B 33 7.077 0.582 6.228 1.00 0.00 C ATOM 1379 C TYR B 33 6.885 2.110 6.054 1.00 0.00 C ATOM 1380 O TYR B 33 7.503 2.704 5.171 1.00 0.00 O ATOM 1381 CB TYR B 33 5.765 -0.056 5.723 1.00 0.00 C ATOM 1382 CG TYR B 33 5.826 -1.560 5.542 1.00 0.00 C ATOM 1383 CD1 TYR B 33 6.188 -2.404 6.613 1.00 0.00 C ATOM 1384 CD2 TYR B 33 5.363 -2.139 4.342 1.00 0.00 C ATOM 1385 CE1 TYR B 33 6.119 -3.804 6.475 1.00 0.00 C ATOM 1386 CE2 TYR B 33 5.296 -3.539 4.205 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.680 -4.373 5.269 1.00 0.00 C ATOM 1388 OH TYR B 33 5.607 -5.742 5.129 1.00 0.00 O ATOM 0 H TYR B 33 6.537 -0.173 8.122 1.00 0.00 H new ATOM 0 HA TYR B 33 7.952 0.252 5.668 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.967 0.180 6.426 1.00 0.00 H new ATOM 0 HB3 TYR B 33 5.497 0.401 4.771 1.00 0.00 H new ATOM 0 HD1 TYR B 33 6.521 -1.973 7.546 1.00 0.00 H new ATOM 0 HD2 TYR B 33 5.058 -1.505 3.523 1.00 0.00 H new ATOM 0 HE1 TYR B 33 6.404 -4.441 7.299 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.948 -3.973 3.279 1.00 0.00 H new ATOM 0 HH TYR B 33 5.282 -5.962 4.231 1.00 0.00 H new ATOM 1398 N PHE B 34 5.964 2.737 6.822 1.00 0.00 N ATOM 1399 CA PHE B 34 5.676 4.180 6.596 1.00 0.00 C ATOM 1400 C PHE B 34 6.567 5.152 7.365 1.00 0.00 C ATOM 1401 O PHE B 34 6.078 6.139 7.909 1.00 0.00 O ATOM 1402 CB PHE B 34 4.196 4.545 6.853 1.00 0.00 C ATOM 1403 CG PHE B 34 3.302 3.668 6.005 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.170 3.905 4.621 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.686 2.541 6.580 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.435 3.017 3.818 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.954 1.650 5.774 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.829 1.889 4.394 1.00 0.00 C ATOM 0 H PHE B 34 5.428 2.296 7.570 1.00 0.00 H new ATOM 0 HA PHE B 34 5.908 4.304 5.538 1.00 0.00 H new ATOM 0 HB2 PHE B 34 3.956 4.413 7.908 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.023 5.595 6.616 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.636 4.772 4.177 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.775 2.360 7.641 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.336 3.202 2.759 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.488 0.782 6.216 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.266 1.204 3.777 1.00 0.00 H new ATOM 1418 N ASN B 35 7.874 4.903 7.386 1.00 0.00 N ATOM 1419 CA ASN B 35 8.810 5.792 8.058 1.00 0.00 C ATOM 1420 C ASN B 35 9.637 6.531 7.001 1.00 0.00 C ATOM 1421 O ASN B 35 10.216 7.589 7.260 1.00 0.00 O ATOM 1422 CB ASN B 35 9.681 4.917 8.989 1.00 0.00 C ATOM 1423 CG ASN B 35 11.172 5.266 8.960 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.631 5.977 8.073 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.863 4.993 10.045 1.00 0.00 N ATOM 0 H ASN B 35 8.306 4.092 6.944 1.00 0.00 H new ATOM 0 HA ASN B 35 8.308 6.550 8.658 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.315 5.017 10.011 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.558 3.871 8.707 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.801 5.375 10.162 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.461 4.399 10.770 1.00 0.00 H new ATOM 1432 N ASP B 36 9.691 5.939 5.818 1.00 0.00 N ATOM 1433 CA ASP B 36 10.449 6.472 4.694 1.00 0.00 C ATOM 1434 C ASP B 36 9.470 6.515 3.505 1.00 0.00 C ATOM 1435 O ASP B 36 8.542 7.268 3.576 1.00 0.00 O ATOM 1436 CB ASP B 36 11.713 5.574 4.522 1.00 0.00 C ATOM 1437 CG ASP B 36 12.667 6.210 3.531 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.374 6.081 2.321 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.300 7.197 3.976 1.00 0.00 O ATOM 0 H ASP B 36 9.206 5.067 5.608 1.00 0.00 H new ATOM 0 HA ASP B 36 10.832 7.485 4.816 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.209 5.441 5.484 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.421 4.583 4.174 1.00 0.00 H new ATOM 1444 N ASN B 37 9.697 5.935 2.367 1.00 0.00 N ATOM 1445 CA ASN B 37 8.788 6.107 1.204 1.00 0.00 C ATOM 1446 C ASN B 37 8.520 7.577 0.923 1.00 0.00 C ATOM 1447 O ASN B 37 7.479 7.931 0.366 1.00 0.00 O ATOM 1448 CB ASN B 37 7.439 5.337 1.326 1.00 0.00 C ATOM 1449 CG ASN B 37 7.465 4.445 2.529 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.405 3.657 2.531 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.409 4.235 3.284 1.00 0.00 N ATOM 0 H ASN B 37 10.499 5.330 2.188 1.00 0.00 H new ATOM 0 HA ASN B 37 9.323 5.664 0.364 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.613 6.044 1.405 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.266 4.745 0.427 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.365 3.409 3.881 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.634 4.898 3.273 1.00 0.00 H new ATOM 1458 N GLY B 38 9.464 8.424 1.294 1.00 0.00 N ATOM 1459 CA GLY B 38 9.330 9.857 1.063 1.00 0.00 C ATOM 1460 C GLY B 38 8.160 10.439 1.841 1.00 0.00 C ATOM 1461 O GLY B 38 8.185 11.602 2.252 1.00 0.00 O ATOM 0 H GLY B 38 10.331 8.148 1.756 1.00 0.00 H new ATOM 0 HA2 GLY B 38 10.251 10.362 1.356 1.00 0.00 H new ATOM 0 HA3 GLY B 38 9.189 10.044 -0.002 1.00 0.00 H new ATOM 1465 N VAL B 39 7.134 9.627 2.037 1.00 0.00 N ATOM 1466 CA VAL B 39 5.958 10.054 2.756 1.00 0.00 C ATOM 1467 C VAL B 39 6.303 10.371 4.204 1.00 0.00 C ATOM 1468 O VAL B 39 5.856 11.397 4.718 1.00 0.00 O ATOM 1469 CB VAL B 39 4.885 8.958 2.669 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.793 9.196 3.714 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.266 8.989 1.269 1.00 0.00 C ATOM 0 H VAL B 39 7.098 8.664 1.704 1.00 0.00 H new ATOM 0 HA VAL B 39 5.567 10.966 2.305 1.00 0.00 H new ATOM 0 HB VAL B 39 5.343 7.987 2.860 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.041 8.411 3.639 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.234 9.182 4.711 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.325 10.165 3.538 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.502 8.216 1.192 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.814 9.965 1.093 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.041 8.808 0.524 1.00 0.00 H new ATOM 1481 N ASP B 40 7.087 9.477 4.850 1.00 0.00 N ATOM 1482 CA ASP B 40 7.494 9.646 6.260 1.00 0.00 C ATOM 1483 C ASP B 40 6.487 10.541 6.991 1.00 0.00 C ATOM 1484 O ASP B 40 6.854 11.478 7.701 1.00 0.00 O ATOM 1485 CB ASP B 40 8.905 10.245 6.346 1.00 0.00 C ATOM 1486 CG ASP B 40 8.924 11.672 5.798 1.00 0.00 C ATOM 1487 OD1 ASP B 40 7.830 12.244 5.565 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.027 12.215 5.538 1.00 0.00 O ATOM 0 H ASP B 40 7.450 8.630 4.413 1.00 0.00 H new ATOM 0 HA ASP B 40 7.509 8.667 6.740 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.243 10.244 7.382 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.603 9.625 5.783 1.00 0.00 H new ATOM 1493 N GLY B 41 5.214 10.272 6.725 1.00 0.00 N ATOM 1494 CA GLY B 41 4.116 11.064 7.260 1.00 0.00 C ATOM 1495 C GLY B 41 4.120 11.158 8.774 1.00 0.00 C ATOM 1496 O GLY B 41 4.852 10.444 9.460 1.00 0.00 O ATOM 0 H GLY B 41 4.915 9.498 6.132 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.166 12.069 6.841 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.172 10.629 6.933 1.00 0.00 H new ATOM 1500 N GLU B 42 3.279 12.063 9.274 1.00 0.00 N ATOM 1501 CA GLU B 42 3.138 12.292 10.699 1.00 0.00 C ATOM 1502 C GLU B 42 2.440 11.107 11.340 1.00 0.00 C ATOM 1503 O GLU B 42 1.329 10.745 10.958 1.00 0.00 O ATOM 1504 CB GLU B 42 2.298 13.576 10.949 1.00 0.00 C ATOM 1505 CG GLU B 42 3.119 14.649 11.690 1.00 0.00 C ATOM 1506 CD GLU B 42 4.055 15.322 10.685 1.00 0.00 C ATOM 1507 OE1 GLU B 42 4.139 14.792 9.555 1.00 0.00 O ATOM 1508 OE2 GLU B 42 4.632 16.390 10.985 1.00 0.00 O ATOM 0 H GLU B 42 2.680 12.654 8.698 1.00 0.00 H new ATOM 0 HA GLU B 42 4.128 12.416 11.137 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.949 13.976 9.997 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.412 13.325 11.533 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.457 15.386 12.144 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.693 14.196 12.498 1.00 0.00 H new ATOM 1515 N TRP B 43 3.110 10.504 12.295 1.00 0.00 N ATOM 1516 CA TRP B 43 2.542 9.354 12.972 1.00 0.00 C ATOM 1517 C TRP B 43 1.566 9.733 14.049 1.00 0.00 C ATOM 1518 O TRP B 43 1.800 10.622 14.862 1.00 0.00 O ATOM 1519 CB TRP B 43 3.643 8.398 13.484 1.00 0.00 C ATOM 1520 CG TRP B 43 3.781 7.373 12.467 1.00 0.00 C ATOM 1521 CD1 TRP B 43 3.933 7.641 11.150 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.706 5.915 12.565 1.00 0.00 C ATOM 1523 NE1 TRP B 43 3.935 6.465 10.428 1.00 0.00 N ATOM 1524 CE2 TRP B 43 3.781 5.369 11.246 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.573 4.993 13.630 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 3.712 3.990 10.994 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.505 3.608 13.388 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.565 3.108 12.075 1.00 0.00 C ATOM 0 H TRP B 43 4.036 10.783 12.619 1.00 0.00 H new ATOM 0 HA TRP B 43 1.961 8.808 12.228 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.583 8.929 13.634 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.367 7.962 14.444 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.037 8.629 10.726 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.038 6.414 9.414 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.523 5.358 14.645 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 3.771 3.614 9.983 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 3.406 2.924 14.218 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.498 2.045 11.899 1.00 0.00 H new ATOM 1539 N THR B 44 0.496 8.947 14.085 1.00 0.00 N ATOM 1540 CA THR B 44 -0.527 9.063 15.100 1.00 0.00 C ATOM 1541 C THR B 44 -0.977 7.649 15.406 1.00 0.00 C ATOM 1542 O THR B 44 -1.009 6.796 14.517 1.00 0.00 O ATOM 1543 CB THR B 44 -1.699 9.959 14.657 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.321 10.689 13.499 1.00 0.00 O ATOM 1545 CG2 THR B 44 -2.030 10.939 15.771 1.00 0.00 C ATOM 0 H THR B 44 0.319 8.209 13.404 1.00 0.00 H new ATOM 0 HA THR B 44 -0.131 9.551 15.990 1.00 0.00 H new ATOM 0 HB THR B 44 -2.568 9.339 14.437 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.105 11.147 13.131 1.00 0.00 H new ATOM 0 HG21 THR B 44 -2.859 11.575 15.461 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.311 10.388 16.669 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.158 11.557 15.983 1.00 0.00 H new ATOM 1553 N TYR B 45 -1.285 7.386 16.655 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.671 6.036 17.011 1.00 0.00 C ATOM 1555 C TYR B 45 -2.538 5.937 18.237 1.00 0.00 C ATOM 1556 O TYR B 45 -2.480 6.770 19.141 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.385 5.233 17.086 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.521 3.971 17.899 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.103 2.810 17.351 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -0.072 3.953 19.232 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.239 1.648 18.136 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -0.204 2.792 20.015 1.00 0.00 C ATOM 1563 CZ TYR B 45 -0.786 1.639 19.465 1.00 0.00 C ATOM 1564 OH TYR B 45 -0.890 0.491 20.223 1.00 0.00 O ATOM 0 H TYR B 45 -1.278 8.061 17.420 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.332 5.621 16.250 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.066 4.975 16.076 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.399 5.854 17.519 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.446 2.811 16.327 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.378 4.838 19.658 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -1.692 0.763 17.715 1.00 0.00 H new ATOM 0 HE2 TYR B 45 0.142 2.788 21.038 1.00 0.00 H new ATOM 0 HH TYR B 45 -1.071 -0.273 19.636 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.292 4.845 18.286 1.00 0.00 N ATOM 1575 CA ASP B 46 -4.142 4.517 19.413 1.00 0.00 C ATOM 1576 C ASP B 46 -3.904 3.041 19.783 1.00 0.00 C ATOM 1577 O ASP B 46 -3.827 2.185 18.900 1.00 0.00 O ATOM 1578 CB ASP B 46 -5.610 4.805 19.025 1.00 0.00 C ATOM 1579 CG ASP B 46 -6.355 3.509 18.747 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -6.293 2.606 19.620 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -6.999 3.363 17.680 1.00 0.00 O ATOM 0 H ASP B 46 -3.327 4.158 17.533 1.00 0.00 H new ATOM 0 HA ASP B 46 -3.910 5.123 20.289 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -6.104 5.349 19.830 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -5.640 5.444 18.143 1.00 0.00 H new ATOM 1586 N ASP B 47 -3.841 2.743 21.063 1.00 0.00 N ATOM 1587 CA ASP B 47 -3.673 1.367 21.494 1.00 0.00 C ATOM 1588 C ASP B 47 -5.014 0.643 21.639 1.00 0.00 C ATOM 1589 O ASP B 47 -5.252 -0.423 21.067 1.00 0.00 O ATOM 1590 CB ASP B 47 -3.017 1.383 22.862 1.00 0.00 C ATOM 1591 CG ASP B 47 -1.682 2.100 22.814 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -1.669 3.352 22.881 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -0.636 1.431 22.641 1.00 0.00 O ATOM 0 H ASP B 47 -3.903 3.425 21.819 1.00 0.00 H new ATOM 0 HA ASP B 47 -3.075 0.848 20.746 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -3.674 1.876 23.579 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -2.873 0.361 23.213 1.00 0.00 H new ATOM 1598 N ALA B 48 -5.814 1.226 22.508 1.00 0.00 N ATOM 1599 CA ALA B 48 -7.127 0.692 22.940 1.00 0.00 C ATOM 1600 C ALA B 48 -8.269 0.960 21.983 1.00 0.00 C ATOM 1601 O ALA B 48 -9.403 0.550 22.227 1.00 0.00 O ATOM 1602 CB ALA B 48 -7.485 1.301 24.289 1.00 0.00 C ATOM 0 H ALA B 48 -5.579 2.111 22.957 1.00 0.00 H new ATOM 0 HA ALA B 48 -7.008 -0.391 22.984 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.450 0.915 24.618 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -6.721 1.039 25.021 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -7.540 2.386 24.195 1.00 0.00 H new ATOM 1608 N THR B 49 -7.968 1.614 20.902 1.00 0.00 N ATOM 1609 CA THR B 49 -8.961 1.918 19.887 1.00 0.00 C ATOM 1610 C THR B 49 -8.372 1.466 18.578 1.00 0.00 C ATOM 1611 O THR B 49 -8.845 1.830 17.500 1.00 0.00 O ATOM 1612 CB THR B 49 -9.314 3.429 19.886 1.00 0.00 C ATOM 1613 OG1 THR B 49 -8.916 4.028 18.665 1.00 0.00 O ATOM 1614 CG2 THR B 49 -8.619 4.146 21.053 1.00 0.00 C ATOM 0 H THR B 49 -7.031 1.957 20.688 1.00 0.00 H new ATOM 0 HA THR B 49 -9.902 1.403 20.077 1.00 0.00 H new ATOM 0 HB THR B 49 -10.394 3.524 20.000 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.292 3.522 17.915 1.00 0.00 H new ATOM 0 HG21 THR B 49 -8.878 5.205 21.036 1.00 0.00 H new ATOM 0 HG22 THR B 49 -8.946 3.707 21.996 1.00 0.00 H new ATOM 0 HG23 THR B 49 -7.539 4.036 20.957 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.296 0.661 18.710 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.548 0.116 17.588 1.00 0.00 C ATOM 1624 C LYS B 50 -6.735 0.974 16.373 1.00 0.00 C ATOM 1625 O LYS B 50 -7.631 0.755 15.557 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.916 -1.357 17.304 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.786 -1.914 18.434 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.239 -1.372 18.316 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.246 -2.532 18.239 1.00 0.00 C ATOM 1630 NZ LYS B 50 -11.584 -2.017 17.820 1.00 0.00 N ATOM 0 H LYS B 50 -6.928 0.375 19.617 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.492 0.124 17.856 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.449 -1.430 16.356 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.009 -1.953 17.206 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -7.793 -3.003 18.393 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.364 -1.634 19.399 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -9.468 -0.741 19.175 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -9.328 -0.746 17.428 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -9.897 -3.282 17.529 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -10.323 -3.023 19.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -12.260 -2.806 17.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -11.919 -1.318 18.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -11.506 -1.568 16.885 1.00 0.00 H new ATOM 1644 N THR B 51 -5.822 1.894 16.220 1.00 0.00 N ATOM 1645 CA THR B 51 -5.841 2.743 15.035 1.00 0.00 C ATOM 1646 C THR B 51 -4.473 3.321 14.722 1.00 0.00 C ATOM 1647 O THR B 51 -3.633 3.518 15.599 1.00 0.00 O ATOM 1648 CB THR B 51 -6.885 3.856 15.147 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.115 3.299 15.598 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.095 4.504 13.767 1.00 0.00 C ATOM 0 H THR B 51 -5.066 2.082 16.879 1.00 0.00 H new ATOM 0 HA THR B 51 -6.125 2.099 14.203 1.00 0.00 H new ATOM 0 HB THR B 51 -6.541 4.611 15.854 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.049 3.091 16.553 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.839 5.297 13.847 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.153 4.924 13.415 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.442 3.750 13.060 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.301 3.639 13.453 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.089 4.259 12.951 1.00 0.00 C ATOM 1660 C PHE B 52 -3.432 5.372 11.997 1.00 0.00 C ATOM 1661 O PHE B 52 -4.390 5.277 11.220 1.00 0.00 O ATOM 1662 CB PHE B 52 -2.158 3.237 12.277 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.088 2.796 13.208 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -0.175 3.764 13.675 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.954 1.455 13.613 1.00 0.00 C ATOM 1666 CE1 PHE B 52 0.878 3.388 14.528 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.101 1.080 14.459 1.00 0.00 C ATOM 1668 CZ PHE B 52 1.023 2.043 14.905 1.00 0.00 C ATOM 0 H PHE B 52 -5.006 3.473 12.734 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.551 4.673 13.804 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.737 2.374 11.948 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.711 3.679 11.387 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -0.285 4.796 13.377 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -1.663 0.715 13.273 1.00 0.00 H new ATOM 0 HE1 PHE B 52 1.573 4.131 14.892 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.205 0.050 14.768 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.845 1.748 15.540 1.00 0.00 H new ATOM 1678 N THR B 53 -2.585 6.396 12.010 1.00 0.00 N ATOM 1679 CA THR B 53 -2.765 7.507 11.097 1.00 0.00 C ATOM 1680 C THR B 53 -1.440 7.949 10.475 1.00 0.00 C ATOM 1681 O THR B 53 -0.601 8.575 11.125 1.00 0.00 O ATOM 1682 CB THR B 53 -3.382 8.680 11.873 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.197 8.176 12.920 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.226 9.571 10.963 1.00 0.00 C ATOM 0 H THR B 53 -1.782 6.476 12.633 1.00 0.00 H new ATOM 0 HA THR B 53 -3.420 7.189 10.286 1.00 0.00 H new ATOM 0 HB THR B 53 -2.569 9.281 12.280 1.00 0.00 H new ATOM 0 HG1 THR B 53 -4.590 8.923 13.417 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.647 10.391 11.545 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.600 9.975 10.167 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.034 8.984 10.526 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.292 7.636 9.203 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.097 8.038 8.463 1.00 0.00 C ATOM 1694 C VAL B 54 -0.438 9.386 7.832 1.00 0.00 C ATOM 1695 O VAL B 54 -1.503 9.525 7.219 1.00 0.00 O ATOM 1696 CB VAL B 54 0.290 6.988 7.415 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.396 7.538 6.509 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.801 5.711 8.115 1.00 0.00 C ATOM 0 H VAL B 54 -1.974 7.109 8.658 1.00 0.00 H new ATOM 0 HA VAL B 54 0.773 8.123 9.115 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.589 6.750 6.816 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.666 6.787 5.767 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.040 8.436 6.004 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.271 7.784 7.111 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.074 4.969 7.365 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.674 5.953 8.721 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.016 5.308 8.755 1.00 0.00 H new ATOM 1708 N THR B 55 0.454 10.379 7.977 1.00 0.00 N ATOM 1709 CA THR B 55 0.158 11.704 7.395 1.00 0.00 C ATOM 1710 C THR B 55 1.331 12.455 6.757 1.00 0.00 C ATOM 1711 O THR B 55 2.138 13.097 7.421 1.00 0.00 O ATOM 1712 CB THR B 55 -0.505 12.568 8.481 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.810 12.066 8.732 1.00 0.00 O ATOM 1714 CG2 THR B 55 -0.608 14.029 8.029 1.00 0.00 C ATOM 0 H THR B 55 1.345 10.302 8.467 1.00 0.00 H new ATOM 0 HA THR B 55 -0.503 11.512 6.550 1.00 0.00 H new ATOM 0 HB THR B 55 0.103 12.526 9.385 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.242 12.609 9.424 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.080 14.620 8.814 1.00 0.00 H new ATOM 0 HG22 THR B 55 0.390 14.420 7.831 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.207 14.087 7.120 1.00 0.00 H new ATOM 1722 N GLU B 56 1.364 12.366 5.442 1.00 0.00 N ATOM 1723 CA GLU B 56 2.400 13.044 4.669 1.00 0.00 C ATOM 1724 C GLU B 56 2.600 14.456 5.235 1.00 0.00 C ATOM 1725 O GLU B 56 1.605 15.080 5.568 1.00 0.00 O ATOM 1726 CB GLU B 56 2.038 13.141 3.188 1.00 0.00 C ATOM 1727 CG GLU B 56 3.301 13.432 2.368 1.00 0.00 C ATOM 1728 CD GLU B 56 3.855 14.815 2.708 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.060 15.725 3.026 1.00 0.00 O ATOM 1730 OE2 GLU B 56 5.097 14.975 2.680 1.00 0.00 O ATOM 1731 OXT GLU B 56 3.738 14.885 5.335 1.00 0.00 O ATOM 0 H GLU B 56 0.693 11.837 4.885 1.00 0.00 H new ATOM 0 HA GLU B 56 3.317 12.461 4.749 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.581 12.210 2.853 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.302 13.930 3.034 1.00 0.00 H new ATOM 0 HG2 GLU B 56 4.056 12.672 2.570 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.071 13.378 1.304 1.00 0.00 H new TER 1738 GLU B 56