USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=44 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 180:sc= -4.44! USER MOD Set 1.2: B 51 THR OG1 : rot 84:sc= -0.976! USER MOD Set 2.1: B 8 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.8) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 1 MET CE :methyl 171:sc= -4.25! (180deg=-4.52!) USER MOD Set 3.2: B 1 MET N :NH3+ -165:sc= -0.216! (180deg=-0.776!) USER MOD Set 3.3: B 3 TYR OH : rot 76:sc= 0.82 USER MOD Set 4.1: A 8 ASN : amide:sc= -1.67! X(o=-1.7!,f=-1.8) USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 49 THR OG1 : rot 64:sc= -3.29! USER MOD Set 5.2: A 51 THR OG1 : rot 70:sc= -1.29! USER MOD Set 6.1: A 1 MET N :NH3+ -164:sc= -0.239! (180deg=-0.713!) USER MOD Set 6.2: A 3 TYR OH : rot 111:sc= 0.441 USER MOD Single : A 1 MET CE :methyl 173:sc= -4.16 (180deg=-4.59) USER MOD Single : A 2 GLN :FLIP amide:sc= -3.91! C(o=-5.6!,f=-3.9!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= -0.121 (180deg=-0.848) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= 0.538 (180deg=-1.49!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -125:sc= -3.06! USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.364 (180deg=-0.997) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.142 F(o=-1.1!,f=-0.14) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.267 K(o=-0.27,f=-1) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.93! C(o=-6!,f=-3.9!) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.732 USER MOD Single : A 45 TYR OH : rot 30:sc= -4.97! USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -0.0103 (180deg=-0.709) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : B 2 GLN :FLIP amide:sc= -4.01! C(o=-5.4!,f=-4!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 156:sc= -0.139 (180deg=-0.873) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -136:sc= 0.569 (180deg=-1.42!) USER MOD Single : B 16 THR OG1 : rot 180:sc= -1.37 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.242 USER MOD Single : B 18 THR OG1 : rot 112:sc= 0.0425 USER MOD Single : B 25 THR OG1 : rot -120:sc= -2.97! USER MOD Single : B 28 LYS NZ :NH3+ -157:sc= -0.379 (180deg=-1.03) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.218 F(o=-0.76,f=-0.22) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -5.52! C(o=-5.5!,f=-11!) USER MOD Single : B 37 ASN :FLIP amide:sc= -4.5! C(o=-5!,f=-4.5!) USER MOD Single : B 44 THR OG1 : rot 71:sc= -0.732 USER MOD Single : B 45 TYR OH : rot 30:sc= -4.95! USER MOD Single : B 50 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.688) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.0172 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.899 6.164 -18.304 1.00 0.00 N ATOM 2 CA MET A 1 -5.175 6.453 -17.601 1.00 0.00 C ATOM 3 C MET A 1 -5.089 5.946 -16.166 1.00 0.00 C ATOM 4 O MET A 1 -4.003 5.685 -15.652 1.00 0.00 O ATOM 5 CB MET A 1 -6.332 5.767 -18.339 1.00 0.00 C ATOM 6 CG MET A 1 -6.290 4.247 -18.135 1.00 0.00 C ATOM 7 SD MET A 1 -4.675 3.608 -18.650 1.00 0.00 S ATOM 8 CE MET A 1 -5.091 1.852 -18.614 1.00 0.00 C ATOM 0 H1 MET A 1 -3.845 6.733 -19.173 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.099 6.403 -17.684 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.858 5.154 -18.548 1.00 0.00 H new ATOM 0 HA MET A 1 -5.353 7.528 -17.587 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.282 6.160 -17.978 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.276 5.996 -19.403 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.470 4.006 -17.088 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.082 3.771 -18.713 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.262 1.273 -19.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.278 1.543 -17.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.985 1.677 -19.213 1.00 0.00 H new ATOM 20 N GLN A 2 -6.245 5.817 -15.524 1.00 0.00 N ATOM 21 CA GLN A 2 -6.295 5.349 -14.148 1.00 0.00 C ATOM 22 C GLN A 2 -5.963 3.868 -14.093 1.00 0.00 C ATOM 23 O GLN A 2 -6.579 3.074 -14.789 1.00 0.00 O ATOM 24 CB GLN A 2 -7.703 5.569 -13.580 1.00 0.00 C ATOM 25 CG GLN A 2 -7.677 5.427 -12.059 1.00 0.00 C ATOM 26 CD GLN A 2 -6.936 6.613 -11.455 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.837 6.395 -10.771 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -7.322 7.755 -11.665 1.00 0.00 N flip ATOM 0 H GLN A 2 -7.155 6.029 -15.934 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.568 5.907 -13.558 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.065 6.559 -13.856 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.395 4.845 -14.010 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.694 5.382 -11.669 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.186 4.495 -11.778 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.177 7.914 -12.198 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.789 8.547 -11.308 1.00 0.00 H new ATOM 37 N TYR A 3 -5.022 3.494 -13.230 1.00 0.00 N ATOM 38 CA TYR A 3 -4.649 2.095 -13.055 1.00 0.00 C ATOM 39 C TYR A 3 -5.089 1.656 -11.677 1.00 0.00 C ATOM 40 O TYR A 3 -5.433 2.505 -10.866 1.00 0.00 O ATOM 41 CB TYR A 3 -3.161 1.906 -13.214 1.00 0.00 C ATOM 42 CG TYR A 3 -2.799 2.215 -14.638 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.871 1.200 -15.610 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.372 3.505 -15.008 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.563 1.487 -16.954 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.049 3.785 -16.349 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.168 2.784 -17.323 1.00 0.00 C ATOM 48 OH TYR A 3 -1.862 3.060 -18.638 1.00 0.00 O ATOM 0 H TYR A 3 -4.503 4.144 -12.639 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.138 1.490 -13.818 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.619 2.562 -12.533 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.879 0.884 -12.963 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.163 0.200 -15.325 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.292 4.281 -14.261 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.630 0.710 -17.701 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.709 4.772 -16.628 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.546 3.651 -19.016 1.00 0.00 H new ATOM 58 N LYS A 4 -5.110 0.354 -11.379 1.00 0.00 N ATOM 59 CA LYS A 4 -5.550 -0.095 -10.055 1.00 0.00 C ATOM 60 C LYS A 4 -4.630 -1.187 -9.526 1.00 0.00 C ATOM 61 O LYS A 4 -4.268 -2.112 -10.251 1.00 0.00 O ATOM 62 CB LYS A 4 -6.977 -0.626 -10.160 1.00 0.00 C ATOM 63 CG LYS A 4 -7.491 -0.994 -8.769 1.00 0.00 C ATOM 64 CD LYS A 4 -8.987 -1.316 -8.831 1.00 0.00 C ATOM 65 CE LYS A 4 -9.202 -2.638 -9.559 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.618 -3.073 -9.397 1.00 0.00 N ATOM 0 H LYS A 4 -4.835 -0.392 -12.018 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.516 0.746 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.624 0.127 -10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.004 -1.500 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.941 -1.853 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.317 -0.169 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.398 -1.375 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.519 -0.516 -9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.964 -2.525 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.530 -3.398 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.763 -3.975 -9.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.830 -3.197 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.251 -2.351 -9.797 1.00 0.00 H new ATOM 80 N LEU A 5 -4.244 -1.071 -8.256 1.00 0.00 N ATOM 81 CA LEU A 5 -3.347 -2.047 -7.632 1.00 0.00 C ATOM 82 C LEU A 5 -4.102 -3.041 -6.773 1.00 0.00 C ATOM 83 O LEU A 5 -4.678 -2.657 -5.767 1.00 0.00 O ATOM 84 CB LEU A 5 -2.334 -1.302 -6.748 1.00 0.00 C ATOM 85 CG LEU A 5 -1.125 -2.184 -6.342 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.576 -3.356 -5.454 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.370 -2.721 -7.582 1.00 0.00 C ATOM 0 H LEU A 5 -4.537 -0.313 -7.639 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.845 -2.597 -8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.973 -0.422 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.837 -0.947 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.441 -1.553 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.711 -3.960 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.046 -2.968 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.291 -3.971 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.471 -3.335 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.047 -3.323 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.001 -1.884 -8.174 1.00 0.00 H new ATOM 99 N ILE A 6 -4.044 -4.332 -7.131 1.00 0.00 N ATOM 100 CA ILE A 6 -4.684 -5.363 -6.307 1.00 0.00 C ATOM 101 C ILE A 6 -3.599 -6.043 -5.505 1.00 0.00 C ATOM 102 O ILE A 6 -2.584 -6.470 -6.066 1.00 0.00 O ATOM 103 CB ILE A 6 -5.415 -6.407 -7.144 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.442 -5.700 -8.016 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.121 -7.382 -6.198 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.126 -6.702 -8.949 1.00 0.00 C ATOM 0 H ILE A 6 -3.572 -4.680 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.428 -4.887 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.715 -6.953 -7.777 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.187 -5.210 -7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.956 -4.920 -8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.649 -8.136 -6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.383 -7.868 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.834 -6.837 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.858 -6.182 -9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.379 -7.172 -9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.629 -7.466 -8.356 1.00 0.00 H new ATOM 118 N LEU A 7 -3.776 -6.121 -4.188 1.00 0.00 N ATOM 119 CA LEU A 7 -2.769 -6.714 -3.319 1.00 0.00 C ATOM 120 C LEU A 7 -3.221 -8.076 -2.795 1.00 0.00 C ATOM 121 O LEU A 7 -4.240 -8.190 -2.115 1.00 0.00 O ATOM 122 CB LEU A 7 -2.508 -5.761 -2.152 1.00 0.00 C ATOM 123 CG LEU A 7 -1.220 -6.150 -1.425 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.014 -5.885 -2.312 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.124 -5.333 -0.139 1.00 0.00 C ATOM 0 H LEU A 7 -4.606 -5.781 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.854 -6.870 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.431 -4.738 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.348 -5.788 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.243 -7.215 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.918 -6.170 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.063 -6.472 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.060 -4.825 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.210 -5.598 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.107 -4.271 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.986 -5.546 0.493 1.00 0.00 H new ATOM 137 N ASN A 8 -2.386 -9.081 -3.051 1.00 0.00 N ATOM 138 CA ASN A 8 -2.626 -10.432 -2.528 1.00 0.00 C ATOM 139 C ASN A 8 -1.420 -10.900 -1.736 1.00 0.00 C ATOM 140 O ASN A 8 -0.292 -10.890 -2.225 1.00 0.00 O ATOM 141 CB ASN A 8 -2.970 -11.424 -3.634 1.00 0.00 C ATOM 142 CG ASN A 8 -3.768 -10.735 -4.712 1.00 0.00 C ATOM 143 OD1 ASN A 8 -4.959 -10.491 -4.550 1.00 0.00 O ATOM 144 ND2 ASN A 8 -3.157 -10.450 -5.838 1.00 0.00 N ATOM 0 H ASN A 8 -1.540 -8.990 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.492 -10.386 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.056 -11.842 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.541 -12.257 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.674 -10.016 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.166 -10.663 -5.948 1.00 0.00 H new ATOM 151 N GLY A 9 -1.671 -11.302 -0.510 1.00 0.00 N ATOM 152 CA GLY A 9 -0.599 -11.771 0.356 1.00 0.00 C ATOM 153 C GLY A 9 -1.119 -12.175 1.728 1.00 0.00 C ATOM 154 O GLY A 9 -2.322 -12.340 1.928 1.00 0.00 O ATOM 0 H GLY A 9 -2.599 -11.316 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.101 -12.622 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.149 -10.986 0.467 1.00 0.00 H new ATOM 158 N LYS A 10 -0.194 -12.357 2.669 1.00 0.00 N ATOM 159 CA LYS A 10 -0.549 -12.770 4.028 1.00 0.00 C ATOM 160 C LYS A 10 -0.335 -11.626 5.021 1.00 0.00 C ATOM 161 O LYS A 10 -1.240 -11.274 5.776 1.00 0.00 O ATOM 162 CB LYS A 10 0.312 -13.977 4.432 1.00 0.00 C ATOM 163 CG LYS A 10 0.503 -14.923 3.233 1.00 0.00 C ATOM 164 CD LYS A 10 -0.849 -15.481 2.778 1.00 0.00 C ATOM 165 CE LYS A 10 -0.637 -16.451 1.615 1.00 0.00 C ATOM 166 NZ LYS A 10 0.270 -17.550 2.048 1.00 0.00 N ATOM 0 H LYS A 10 0.806 -12.225 2.517 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.604 -13.044 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.282 -13.636 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.163 -14.512 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.979 -14.388 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.168 -15.741 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.341 -15.992 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.505 -14.667 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.593 -16.861 1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.208 -15.925 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.106 -18.389 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.259 -17.244 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.079 -17.786 3.043 1.00 0.00 H new ATOM 180 N THR A 11 0.866 -11.056 5.017 1.00 0.00 N ATOM 181 CA THR A 11 1.192 -9.956 5.925 1.00 0.00 C ATOM 182 C THR A 11 0.483 -8.676 5.498 1.00 0.00 C ATOM 183 O THR A 11 0.378 -7.725 6.275 1.00 0.00 O ATOM 184 CB THR A 11 2.708 -9.707 5.929 1.00 0.00 C ATOM 185 OG1 THR A 11 3.383 -10.878 6.366 1.00 0.00 O ATOM 186 CG2 THR A 11 3.055 -8.540 6.865 1.00 0.00 C ATOM 0 H THR A 11 1.628 -11.334 4.399 1.00 0.00 H new ATOM 0 HA THR A 11 0.859 -10.234 6.925 1.00 0.00 H new ATOM 0 HB THR A 11 3.024 -9.456 4.916 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.350 -10.718 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.132 -8.375 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.548 -7.637 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.731 -8.778 7.878 1.00 0.00 H new ATOM 194 N LEU A 12 0.034 -8.637 4.245 1.00 0.00 N ATOM 195 CA LEU A 12 -0.619 -7.440 3.722 1.00 0.00 C ATOM 196 C LEU A 12 -1.671 -7.795 2.673 1.00 0.00 C ATOM 197 O LEU A 12 -1.473 -8.686 1.845 1.00 0.00 O ATOM 198 CB LEU A 12 0.466 -6.543 3.122 1.00 0.00 C ATOM 199 CG LEU A 12 0.011 -5.073 3.043 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.197 -4.497 4.468 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.097 -4.255 2.301 1.00 0.00 C ATOM 0 H LEU A 12 0.109 -9.408 3.582 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.140 -6.920 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.370 -6.612 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.722 -6.899 2.124 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.935 -5.013 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.518 -3.458 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.959 -5.078 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.740 -4.550 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.787 -3.212 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.039 -4.322 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.231 -4.655 1.296 1.00 0.00 H new ATOM 213 N LYS A 13 -2.777 -7.059 2.704 1.00 0.00 N ATOM 214 CA LYS A 13 -3.867 -7.239 1.748 1.00 0.00 C ATOM 215 C LYS A 13 -4.534 -5.887 1.528 1.00 0.00 C ATOM 216 O LYS A 13 -4.665 -5.113 2.474 1.00 0.00 O ATOM 217 CB LYS A 13 -4.915 -8.222 2.286 1.00 0.00 C ATOM 218 CG LYS A 13 -4.319 -9.622 2.437 1.00 0.00 C ATOM 219 CD LYS A 13 -5.409 -10.562 2.957 1.00 0.00 C ATOM 220 CE LYS A 13 -4.841 -11.962 3.199 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.696 -12.679 1.900 1.00 0.00 N ATOM 0 H LYS A 13 -2.944 -6.323 3.390 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.462 -7.639 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.286 -7.874 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.769 -8.256 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.939 -9.977 1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.476 -9.602 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.826 -10.167 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.226 -10.614 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.873 -11.891 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.500 -12.522 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.103 -13.633 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.196 -12.153 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.688 -12.753 1.655 1.00 0.00 H new ATOM 235 N GLY A 14 -4.974 -5.596 0.310 1.00 0.00 N ATOM 236 CA GLY A 14 -5.639 -4.316 0.067 1.00 0.00 C ATOM 237 C GLY A 14 -5.622 -3.932 -1.406 1.00 0.00 C ATOM 238 O GLY A 14 -5.169 -4.693 -2.257 1.00 0.00 O ATOM 0 H GLY A 14 -4.888 -6.205 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.671 -4.372 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.148 -3.537 0.650 1.00 0.00 H new ATOM 242 N GLU A 15 -6.131 -2.734 -1.707 1.00 0.00 N ATOM 243 CA GLU A 15 -6.170 -2.248 -3.088 1.00 0.00 C ATOM 244 C GLU A 15 -5.834 -0.752 -3.141 1.00 0.00 C ATOM 245 O GLU A 15 -6.479 0.052 -2.471 1.00 0.00 O ATOM 246 CB GLU A 15 -7.572 -2.446 -3.688 1.00 0.00 C ATOM 247 CG GLU A 15 -7.999 -3.921 -3.643 1.00 0.00 C ATOM 248 CD GLU A 15 -9.497 -4.006 -3.924 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.908 -3.760 -5.079 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.258 -4.162 -2.945 1.00 0.00 O ATOM 0 H GLU A 15 -6.519 -2.088 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.435 -2.815 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.293 -1.840 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.581 -2.095 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.443 -4.498 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.773 -4.350 -2.667 1.00 0.00 H new ATOM 257 N THR A 16 -4.860 -0.373 -3.977 1.00 0.00 N ATOM 258 CA THR A 16 -4.496 1.046 -4.145 1.00 0.00 C ATOM 259 C THR A 16 -4.846 1.452 -5.570 1.00 0.00 C ATOM 260 O THR A 16 -5.107 0.587 -6.397 1.00 0.00 O ATOM 261 CB THR A 16 -2.995 1.273 -3.870 1.00 0.00 C ATOM 262 OG1 THR A 16 -2.246 1.033 -5.054 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.518 0.329 -2.754 1.00 0.00 C ATOM 0 H THR A 16 -4.312 -1.019 -4.545 1.00 0.00 H new ATOM 0 HA THR A 16 -5.048 1.656 -3.429 1.00 0.00 H new ATOM 0 HB THR A 16 -2.844 2.305 -3.553 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.294 1.180 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.457 0.495 -2.566 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.084 0.527 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.674 -0.705 -3.061 1.00 0.00 H new ATOM 271 N THR A 17 -4.872 2.747 -5.876 1.00 0.00 N ATOM 272 CA THR A 17 -5.217 3.192 -7.224 1.00 0.00 C ATOM 273 C THR A 17 -4.423 4.456 -7.550 1.00 0.00 C ATOM 274 O THR A 17 -4.406 5.398 -6.759 1.00 0.00 O ATOM 275 CB THR A 17 -6.738 3.459 -7.293 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.408 2.534 -6.447 1.00 0.00 O ATOM 277 CG2 THR A 17 -7.262 3.289 -8.721 1.00 0.00 C ATOM 0 H THR A 17 -4.661 3.498 -5.219 1.00 0.00 H new ATOM 0 HA THR A 17 -4.966 2.425 -7.957 1.00 0.00 H new ATOM 0 HB THR A 17 -6.925 4.484 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.374 2.697 -6.484 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.334 3.483 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.754 3.992 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.071 2.271 -9.060 1.00 0.00 H new ATOM 285 N THR A 18 -3.786 4.499 -8.722 1.00 0.00 N ATOM 286 CA THR A 18 -3.022 5.683 -9.126 1.00 0.00 C ATOM 287 C THR A 18 -3.240 5.917 -10.601 1.00 0.00 C ATOM 288 O THR A 18 -3.566 4.982 -11.335 1.00 0.00 O ATOM 289 CB THR A 18 -1.497 5.504 -8.848 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.954 6.770 -8.499 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.723 4.982 -10.093 1.00 0.00 C ATOM 0 H THR A 18 -3.783 3.738 -9.401 1.00 0.00 H new ATOM 0 HA THR A 18 -3.369 6.537 -8.544 1.00 0.00 H new ATOM 0 HB THR A 18 -1.390 4.772 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.005 6.676 -8.319 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.333 4.875 -9.846 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.126 4.014 -10.392 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.834 5.691 -10.914 1.00 0.00 H new ATOM 299 N GLU A 19 -2.999 7.134 -11.058 1.00 0.00 N ATOM 300 CA GLU A 19 -3.104 7.450 -12.464 1.00 0.00 C ATOM 301 C GLU A 19 -1.725 7.893 -12.893 1.00 0.00 C ATOM 302 O GLU A 19 -1.153 8.804 -12.301 1.00 0.00 O ATOM 303 CB GLU A 19 -4.120 8.575 -12.680 1.00 0.00 C ATOM 304 CG GLU A 19 -4.184 8.948 -14.163 1.00 0.00 C ATOM 305 CD GLU A 19 -5.277 9.987 -14.382 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.404 10.912 -13.549 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.058 9.802 -15.343 1.00 0.00 O ATOM 0 H GLU A 19 -2.728 7.921 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.445 6.593 -13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.104 8.258 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.840 9.447 -12.089 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.222 9.342 -14.491 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.386 8.061 -14.763 1.00 0.00 H new ATOM 314 N ALA A 20 -1.185 7.239 -13.900 1.00 0.00 N ATOM 315 CA ALA A 20 0.147 7.560 -14.387 1.00 0.00 C ATOM 316 C ALA A 20 0.027 8.151 -15.762 1.00 0.00 C ATOM 317 O ALA A 20 -1.075 8.258 -16.298 1.00 0.00 O ATOM 318 CB ALA A 20 1.010 6.304 -14.424 1.00 0.00 C ATOM 0 H ALA A 20 -1.647 6.480 -14.401 1.00 0.00 H new ATOM 0 HA ALA A 20 0.621 8.279 -13.719 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.005 6.557 -14.790 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.088 5.887 -13.420 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.555 5.569 -15.088 1.00 0.00 H new ATOM 324 N VAL A 21 1.147 8.511 -16.356 1.00 0.00 N ATOM 325 CA VAL A 21 1.076 9.053 -17.682 1.00 0.00 C ATOM 326 C VAL A 21 0.511 7.990 -18.601 1.00 0.00 C ATOM 327 O VAL A 21 -0.316 8.309 -19.460 1.00 0.00 O ATOM 328 CB VAL A 21 2.428 9.573 -18.178 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.491 8.499 -18.030 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.299 9.979 -19.648 1.00 0.00 C ATOM 0 H VAL A 21 2.081 8.439 -15.953 1.00 0.00 H new ATOM 0 HA VAL A 21 0.419 9.923 -17.675 1.00 0.00 H new ATOM 0 HB VAL A 21 2.723 10.437 -17.582 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.447 8.882 -18.386 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.581 8.218 -16.981 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.209 7.625 -18.617 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.258 10.351 -20.008 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.000 9.114 -20.239 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.547 10.762 -19.745 1.00 0.00 H new ATOM 340 N ASP A 22 0.928 6.715 -18.452 1.00 0.00 N ATOM 341 CA ASP A 22 0.413 5.669 -19.309 1.00 0.00 C ATOM 342 C ASP A 22 0.888 4.269 -18.814 1.00 0.00 C ATOM 343 O ASP A 22 1.421 4.103 -17.708 1.00 0.00 O ATOM 344 CB ASP A 22 0.903 5.914 -20.747 1.00 0.00 C ATOM 345 CG ASP A 22 0.219 4.961 -21.721 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.030 5.021 -21.842 1.00 0.00 O ATOM 347 OD2 ASP A 22 0.916 4.119 -22.328 1.00 0.00 O ATOM 0 H ASP A 22 1.607 6.406 -17.756 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.677 5.687 -19.281 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.698 6.945 -21.035 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.983 5.778 -20.796 1.00 0.00 H new ATOM 352 N ALA A 23 0.623 3.300 -19.670 1.00 0.00 N ATOM 353 CA ALA A 23 0.941 1.893 -19.410 1.00 0.00 C ATOM 354 C ALA A 23 2.397 1.738 -18.940 1.00 0.00 C ATOM 355 O ALA A 23 2.671 0.983 -18.036 1.00 0.00 O ATOM 356 CB ALA A 23 0.719 1.049 -20.668 1.00 0.00 C ATOM 0 H ALA A 23 0.178 3.460 -20.574 1.00 0.00 H new ATOM 0 HA ALA A 23 0.276 1.543 -18.621 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.960 0.008 -20.455 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.324 1.124 -20.977 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.362 1.414 -21.469 1.00 0.00 H new ATOM 362 N ALA A 24 3.332 2.385 -19.594 1.00 0.00 N ATOM 363 CA ALA A 24 4.735 2.233 -19.230 1.00 0.00 C ATOM 364 C ALA A 24 5.063 2.798 -17.842 1.00 0.00 C ATOM 365 O ALA A 24 5.933 2.271 -17.154 1.00 0.00 O ATOM 366 CB ALA A 24 5.615 2.918 -20.276 1.00 0.00 C ATOM 0 H ALA A 24 3.157 3.018 -20.375 1.00 0.00 H new ATOM 0 HA ALA A 24 4.937 1.162 -19.196 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.663 2.803 -20.001 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.443 2.462 -21.251 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.367 3.978 -20.322 1.00 0.00 H new ATOM 372 N THR A 25 4.407 3.893 -17.454 1.00 0.00 N ATOM 373 CA THR A 25 4.702 4.532 -16.162 1.00 0.00 C ATOM 374 C THR A 25 3.995 3.890 -14.968 1.00 0.00 C ATOM 375 O THR A 25 4.661 3.457 -14.030 1.00 0.00 O ATOM 376 CB THR A 25 4.376 6.013 -16.230 1.00 0.00 C ATOM 377 OG1 THR A 25 5.045 6.559 -17.356 1.00 0.00 O ATOM 378 CG2 THR A 25 4.859 6.703 -14.943 1.00 0.00 C ATOM 0 H THR A 25 3.680 4.352 -18.002 1.00 0.00 H new ATOM 0 HA THR A 25 5.768 4.385 -15.989 1.00 0.00 H new ATOM 0 HB THR A 25 3.301 6.166 -16.325 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.599 7.316 -17.072 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.625 7.767 -14.991 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.358 6.260 -14.082 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.936 6.572 -14.842 1.00 0.00 H new ATOM 386 N ALA A 26 2.668 3.834 -14.961 1.00 0.00 N ATOM 387 CA ALA A 26 1.979 3.239 -13.805 1.00 0.00 C ATOM 388 C ALA A 26 2.623 1.890 -13.494 1.00 0.00 C ATOM 389 O ALA A 26 2.963 1.563 -12.364 1.00 0.00 O ATOM 390 CB ALA A 26 0.477 3.064 -14.127 1.00 0.00 C ATOM 0 H ALA A 26 2.061 4.176 -15.706 1.00 0.00 H new ATOM 0 HA ALA A 26 2.069 3.891 -12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.030 2.623 -13.269 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.037 4.036 -14.349 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.364 2.409 -14.991 1.00 0.00 H new ATOM 396 N GLU A 27 2.881 1.206 -14.565 1.00 0.00 N ATOM 397 CA GLU A 27 3.575 -0.062 -14.499 1.00 0.00 C ATOM 398 C GLU A 27 4.929 0.153 -13.851 1.00 0.00 C ATOM 399 O GLU A 27 5.292 -0.538 -12.883 1.00 0.00 O ATOM 400 CB GLU A 27 3.710 -0.662 -15.886 1.00 0.00 C ATOM 401 CG GLU A 27 2.345 -1.231 -16.338 1.00 0.00 C ATOM 402 CD GLU A 27 1.196 -0.221 -16.141 1.00 0.00 C ATOM 403 OE1 GLU A 27 1.360 0.956 -16.527 1.00 0.00 O ATOM 404 OE2 GLU A 27 0.123 -0.637 -15.645 1.00 0.00 O ATOM 0 H GLU A 27 2.623 1.499 -15.507 1.00 0.00 H new ATOM 0 HA GLU A 27 3.005 -0.768 -13.895 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.051 0.097 -16.590 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.461 -1.452 -15.880 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.402 -1.513 -17.389 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.128 -2.139 -15.775 1.00 0.00 H new ATOM 411 N LYS A 28 5.658 1.146 -14.338 1.00 0.00 N ATOM 412 CA LYS A 28 6.964 1.448 -13.759 1.00 0.00 C ATOM 413 C LYS A 28 6.844 1.778 -12.270 1.00 0.00 C ATOM 414 O LYS A 28 7.637 1.292 -11.461 1.00 0.00 O ATOM 415 CB LYS A 28 7.590 2.641 -14.484 1.00 0.00 C ATOM 416 CG LYS A 28 9.036 2.857 -14.021 1.00 0.00 C ATOM 417 CD LYS A 28 9.575 4.169 -14.614 1.00 0.00 C ATOM 418 CE LYS A 28 9.583 4.104 -16.147 1.00 0.00 C ATOM 419 NZ LYS A 28 10.062 2.766 -16.596 1.00 0.00 N ATOM 0 H LYS A 28 5.379 1.746 -15.114 1.00 0.00 H new ATOM 0 HA LYS A 28 7.594 0.566 -13.874 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.569 2.471 -15.560 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.003 3.539 -14.292 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.079 2.893 -12.932 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.659 2.020 -14.337 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.958 5.005 -14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.585 4.353 -14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.580 4.289 -16.533 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.228 4.885 -16.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.403 2.830 -17.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.838 2.450 -15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.280 2.082 -16.545 1.00 0.00 H new ATOM 433 N VAL A 29 5.892 2.637 -11.903 1.00 0.00 N ATOM 434 CA VAL A 29 5.756 3.041 -10.504 1.00 0.00 C ATOM 435 C VAL A 29 5.385 1.875 -9.587 1.00 0.00 C ATOM 436 O VAL A 29 6.122 1.572 -8.646 1.00 0.00 O ATOM 437 CB VAL A 29 4.681 4.129 -10.410 1.00 0.00 C ATOM 438 CG1 VAL A 29 4.453 4.528 -8.952 1.00 0.00 C ATOM 439 CG2 VAL A 29 5.138 5.355 -11.205 1.00 0.00 C ATOM 0 H VAL A 29 5.217 3.059 -12.540 1.00 0.00 H new ATOM 0 HA VAL A 29 6.723 3.415 -10.168 1.00 0.00 H new ATOM 0 HB VAL A 29 3.747 3.743 -10.819 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.687 5.302 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.127 3.657 -8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.382 4.910 -8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.378 6.133 -11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.075 5.729 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.288 5.077 -12.248 1.00 0.00 H new ATOM 449 N PHE A 30 4.218 1.264 -9.791 1.00 0.00 N ATOM 450 CA PHE A 30 3.813 0.207 -8.876 1.00 0.00 C ATOM 451 C PHE A 30 4.915 -0.861 -8.765 1.00 0.00 C ATOM 452 O PHE A 30 5.106 -1.455 -7.692 1.00 0.00 O ATOM 453 CB PHE A 30 2.496 -0.484 -9.261 1.00 0.00 C ATOM 454 CG PHE A 30 1.281 0.437 -9.209 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.617 0.737 -8.002 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.805 0.984 -10.417 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.513 1.575 -8.007 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.321 1.826 -10.419 1.00 0.00 C ATOM 459 CZ PHE A 30 -0.984 2.109 -9.214 1.00 0.00 C ATOM 0 H PHE A 30 3.565 1.472 -10.547 1.00 0.00 H new ATOM 0 HA PHE A 30 3.650 0.702 -7.919 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.590 -0.890 -10.268 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.330 -1.328 -8.592 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.977 0.323 -7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.307 0.756 -11.345 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.017 1.807 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.675 2.254 -11.345 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.860 2.741 -9.217 1.00 0.00 H new ATOM 469 N LYS A 31 5.692 -1.070 -9.843 1.00 0.00 N ATOM 470 CA LYS A 31 6.799 -2.035 -9.750 1.00 0.00 C ATOM 471 C LYS A 31 7.821 -1.542 -8.759 1.00 0.00 C ATOM 472 O LYS A 31 8.340 -2.308 -7.948 1.00 0.00 O ATOM 473 CB LYS A 31 7.482 -2.305 -11.096 1.00 0.00 C ATOM 474 CG LYS A 31 6.614 -3.247 -11.926 1.00 0.00 C ATOM 475 CD LYS A 31 7.388 -3.709 -13.147 1.00 0.00 C ATOM 476 CE LYS A 31 6.597 -4.815 -13.839 1.00 0.00 C ATOM 477 NZ LYS A 31 7.372 -5.314 -15.010 1.00 0.00 N ATOM 0 H LYS A 31 5.583 -0.609 -10.746 1.00 0.00 H new ATOM 0 HA LYS A 31 6.365 -2.978 -9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.637 -1.369 -11.632 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.466 -2.746 -10.935 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.315 -4.106 -11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.700 -2.739 -12.233 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.548 -2.875 -13.830 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.372 -4.075 -12.854 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.403 -5.630 -13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.628 -4.436 -14.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.836 -6.068 -15.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.535 -4.533 -15.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.286 -5.690 -14.687 1.00 0.00 H new ATOM 491 N GLN A 32 8.103 -0.260 -8.837 1.00 0.00 N ATOM 492 CA GLN A 32 9.081 0.338 -7.939 1.00 0.00 C ATOM 493 C GLN A 32 8.801 -0.164 -6.507 1.00 0.00 C ATOM 494 O GLN A 32 9.729 -0.480 -5.761 1.00 0.00 O ATOM 495 CB GLN A 32 8.998 1.895 -8.022 1.00 0.00 C ATOM 496 CG GLN A 32 10.397 2.572 -7.907 1.00 0.00 C ATOM 497 CD GLN A 32 11.014 2.882 -9.280 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.303 2.774 -10.384 1.00 0.00 O flip ATOM 499 NE2 GLN A 32 12.229 2.746 -9.321 1.00 0.00 N flip ATOM 0 H GLN A 32 7.678 0.386 -9.502 1.00 0.00 H new ATOM 0 HA GLN A 32 10.091 0.047 -8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.535 2.182 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.352 2.265 -7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.304 3.496 -7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.068 1.919 -7.349 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.781 2.829 -8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.690 2.549 -10.209 1.00 0.00 H new ATOM 508 N TYR A 33 7.517 -0.178 -6.115 1.00 0.00 N ATOM 509 CA TYR A 33 7.141 -0.572 -4.748 1.00 0.00 C ATOM 510 C TYR A 33 7.132 -2.093 -4.490 1.00 0.00 C ATOM 511 O TYR A 33 7.764 -2.557 -3.550 1.00 0.00 O ATOM 512 CB TYR A 33 5.695 -0.082 -4.444 1.00 0.00 C ATOM 513 CG TYR A 33 5.582 1.439 -4.368 1.00 0.00 C ATOM 514 CD1 TYR A 33 6.017 2.251 -5.435 1.00 0.00 C ATOM 515 CD2 TYR A 33 5.039 2.051 -3.218 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.927 3.653 -5.354 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.941 3.457 -3.140 1.00 0.00 C ATOM 518 CZ TYR A 33 5.382 4.255 -4.210 1.00 0.00 C ATOM 519 OH TYR A 33 5.274 5.628 -4.133 1.00 0.00 O ATOM 0 H TYR A 33 6.732 0.075 -6.715 1.00 0.00 H new ATOM 0 HA TYR A 33 7.903 -0.120 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.022 -0.452 -5.217 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.363 -0.513 -3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.424 1.792 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.697 1.441 -2.395 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.277 4.265 -6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.527 3.920 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 33 4.874 5.877 -3.274 1.00 0.00 H new ATOM 529 N PHE A 34 6.319 -2.836 -5.245 1.00 0.00 N ATOM 530 CA PHE A 34 6.145 -4.275 -4.930 1.00 0.00 C ATOM 531 C PHE A 34 7.100 -5.252 -5.589 1.00 0.00 C ATOM 532 O PHE A 34 6.666 -6.290 -6.092 1.00 0.00 O ATOM 533 CB PHE A 34 4.725 -4.740 -5.176 1.00 0.00 C ATOM 534 CG PHE A 34 3.758 -3.865 -4.421 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.482 -4.162 -3.070 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.073 -2.810 -5.052 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.551 -3.391 -2.352 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.141 -2.043 -4.335 1.00 0.00 C ATOM 539 CZ PHE A 34 1.883 -2.328 -2.982 1.00 0.00 C ATOM 0 H PHE A 34 5.788 -2.495 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 34 6.395 -4.300 -3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.502 -4.706 -6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.613 -5.777 -4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.987 -4.984 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.265 -2.590 -6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.349 -3.616 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.621 -1.232 -4.823 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.173 -1.731 -2.429 1.00 0.00 H new ATOM 549 N ASN A 35 8.393 -4.968 -5.541 1.00 0.00 N ATOM 550 CA ASN A 35 9.377 -5.872 -6.094 1.00 0.00 C ATOM 551 C ASN A 35 10.237 -6.431 -4.943 1.00 0.00 C ATOM 552 O ASN A 35 11.161 -7.206 -5.184 1.00 0.00 O ATOM 553 CB ASN A 35 10.168 -5.085 -7.174 1.00 0.00 C ATOM 554 CG ASN A 35 11.650 -4.960 -6.898 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.985 -4.343 -5.895 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.511 -5.183 -7.866 1.00 0.00 N ATOM 0 H ASN A 35 8.779 -4.120 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 35 8.940 -6.742 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.031 -5.576 -8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.742 -4.086 -7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.469 -4.841 -7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.222 -5.698 -8.697 1.00 0.00 H new ATOM 563 N ASP A 36 9.933 -6.043 -3.669 1.00 0.00 N ATOM 564 CA ASP A 36 10.751 -6.547 -2.534 1.00 0.00 C ATOM 565 C ASP A 36 10.146 -6.474 -1.106 1.00 0.00 C ATOM 566 O ASP A 36 10.063 -7.484 -0.476 1.00 0.00 O ATOM 567 CB ASP A 36 12.012 -5.716 -2.550 1.00 0.00 C ATOM 568 CG ASP A 36 12.870 -5.782 -1.267 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.453 -4.819 -0.581 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.095 -5.976 -1.463 1.00 0.00 O ATOM 0 H ASP A 36 9.169 -5.417 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 36 10.871 -7.617 -2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.625 -6.035 -3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.739 -4.676 -2.730 1.00 0.00 H new ATOM 575 N ASN A 37 9.594 -5.323 -0.771 1.00 0.00 N ATOM 576 CA ASN A 37 8.854 -5.110 0.538 1.00 0.00 C ATOM 577 C ASN A 37 8.459 -6.486 1.167 1.00 0.00 C ATOM 578 O ASN A 37 7.305 -6.773 1.443 1.00 0.00 O ATOM 579 CB ASN A 37 7.610 -4.244 0.353 1.00 0.00 C ATOM 580 CG ASN A 37 7.219 -4.262 -1.083 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.671 -3.228 -1.679 1.00 0.00 O flip ATOM 582 ND2 ASN A 37 6.918 -5.382 -1.472 1.00 0.00 N flip ATOM 0 H ASN A 37 9.624 -4.495 -1.365 1.00 0.00 H new ATOM 0 HA ASN A 37 9.528 -4.583 1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.794 -4.620 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.810 -3.223 0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.328 -6.204 -1.028 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.257 -5.494 -2.241 1.00 0.00 H new ATOM 589 N GLY A 38 9.478 -7.300 1.370 1.00 0.00 N ATOM 590 CA GLY A 38 9.349 -8.659 1.943 1.00 0.00 C ATOM 591 C GLY A 38 8.230 -9.488 1.281 1.00 0.00 C ATOM 592 O GLY A 38 8.001 -10.641 1.657 1.00 0.00 O ATOM 0 H GLY A 38 10.440 -7.047 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.297 -9.185 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.151 -8.579 3.012 1.00 0.00 H new ATOM 596 N VAL A 39 7.530 -8.905 0.307 1.00 0.00 N ATOM 597 CA VAL A 39 6.430 -9.597 -0.373 1.00 0.00 C ATOM 598 C VAL A 39 6.845 -10.052 -1.775 1.00 0.00 C ATOM 599 O VAL A 39 6.603 -11.200 -2.148 1.00 0.00 O ATOM 600 CB VAL A 39 5.234 -8.628 -0.467 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.066 -9.262 -1.236 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.756 -8.243 0.949 1.00 0.00 C ATOM 0 H VAL A 39 7.703 -7.958 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 39 6.158 -10.487 0.195 1.00 0.00 H new ATOM 0 HB VAL A 39 5.565 -7.739 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.237 -8.556 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.389 -9.514 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.741 -10.167 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.911 -7.558 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.449 -9.141 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.570 -7.758 1.488 1.00 0.00 H new ATOM 612 N ASP A 40 7.434 -9.134 -2.549 1.00 0.00 N ATOM 613 CA ASP A 40 7.851 -9.425 -3.933 1.00 0.00 C ATOM 614 C ASP A 40 6.878 -10.399 -4.590 1.00 0.00 C ATOM 615 O ASP A 40 7.277 -11.308 -5.321 1.00 0.00 O ATOM 616 CB ASP A 40 9.290 -9.972 -3.977 1.00 0.00 C ATOM 617 CG ASP A 40 9.365 -11.482 -3.724 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.341 -12.116 -3.368 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.466 -12.058 -3.918 1.00 0.00 O ATOM 0 H ASP A 40 7.635 -8.182 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 40 7.835 -8.491 -4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.727 -9.750 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.893 -9.454 -3.231 1.00 0.00 H new ATOM 624 N GLY A 41 5.603 -10.205 -4.288 1.00 0.00 N ATOM 625 CA GLY A 41 4.552 -11.068 -4.800 1.00 0.00 C ATOM 626 C GLY A 41 4.623 -11.217 -6.311 1.00 0.00 C ATOM 627 O GLY A 41 5.320 -10.461 -6.983 1.00 0.00 O ATOM 0 H GLY A 41 5.271 -9.451 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.631 -12.051 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.580 -10.660 -4.521 1.00 0.00 H new ATOM 631 N GLU A 42 3.898 -12.202 -6.845 1.00 0.00 N ATOM 632 CA GLU A 42 3.896 -12.431 -8.278 1.00 0.00 C ATOM 633 C GLU A 42 3.350 -11.208 -8.971 1.00 0.00 C ATOM 634 O GLU A 42 2.395 -10.592 -8.498 1.00 0.00 O ATOM 635 CB GLU A 42 3.031 -13.663 -8.640 1.00 0.00 C ATOM 636 CG GLU A 42 3.733 -14.489 -9.726 1.00 0.00 C ATOM 637 CD GLU A 42 4.925 -15.207 -9.097 1.00 0.00 C ATOM 638 OE1 GLU A 42 5.053 -15.144 -7.854 1.00 0.00 O ATOM 639 OE2 GLU A 42 5.722 -15.829 -9.835 1.00 0.00 O ATOM 0 H GLU A 42 3.314 -12.843 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 42 4.918 -12.623 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.866 -14.276 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.051 -13.340 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.041 -15.212 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.066 -13.842 -10.537 1.00 0.00 H new ATOM 646 N TRP A 43 3.951 -10.861 -10.095 1.00 0.00 N ATOM 647 CA TRP A 43 3.508 -9.706 -10.850 1.00 0.00 C ATOM 648 C TRP A 43 2.611 -10.036 -11.997 1.00 0.00 C ATOM 649 O TRP A 43 2.813 -10.988 -12.747 1.00 0.00 O ATOM 650 CB TRP A 43 4.707 -8.869 -11.324 1.00 0.00 C ATOM 651 CG TRP A 43 4.832 -7.775 -10.393 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.259 -7.862 -9.113 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.492 -6.366 -10.598 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.180 -6.627 -8.503 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.699 -5.670 -9.367 1.00 0.00 C ATOM 656 CE3 TRP A 43 4.015 -5.606 -11.692 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.427 -4.304 -9.221 1.00 0.00 C ATOM 658 CZ3 TRP A 43 3.757 -4.228 -11.560 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.956 -3.582 -10.328 1.00 0.00 C ATOM 0 H TRP A 43 4.742 -11.360 -10.502 1.00 0.00 H new ATOM 0 HA TRP A 43 2.905 -9.117 -10.159 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.617 -9.469 -11.343 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.547 -8.501 -12.337 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.610 -8.766 -8.638 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.445 -6.446 -7.535 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.846 -6.090 -12.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.578 -3.814 -8.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.404 -3.664 -12.411 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.746 -2.527 -10.233 1.00 0.00 H new ATOM 670 N THR A 44 1.649 -9.148 -12.145 1.00 0.00 N ATOM 671 CA THR A 44 0.710 -9.204 -13.236 1.00 0.00 C ATOM 672 C THR A 44 0.379 -7.772 -13.625 1.00 0.00 C ATOM 673 O THR A 44 0.298 -6.893 -12.763 1.00 0.00 O ATOM 674 CB THR A 44 -0.546 -9.995 -12.845 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.211 -10.917 -11.816 1.00 0.00 O ATOM 676 CG2 THR A 44 -1.055 -10.774 -14.058 1.00 0.00 C ATOM 0 H THR A 44 1.500 -8.366 -11.507 1.00 0.00 H new ATOM 0 HA THR A 44 1.143 -9.728 -14.088 1.00 0.00 H new ATOM 0 HB THR A 44 -1.317 -9.307 -12.498 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.960 -11.531 -11.671 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.947 -11.336 -13.781 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.299 -10.078 -14.861 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.282 -11.464 -14.398 1.00 0.00 H new ATOM 684 N TYR A 45 0.196 -7.532 -14.911 1.00 0.00 N ATOM 685 CA TYR A 45 -0.123 -6.191 -15.396 1.00 0.00 C ATOM 686 C TYR A 45 -1.291 -6.259 -16.362 1.00 0.00 C ATOM 687 O TYR A 45 -1.307 -7.089 -17.269 1.00 0.00 O ATOM 688 CB TYR A 45 1.110 -5.586 -16.090 1.00 0.00 C ATOM 689 CG TYR A 45 0.714 -4.417 -16.981 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.241 -3.476 -16.557 1.00 0.00 C ATOM 691 CD2 TYR A 45 1.280 -4.294 -18.266 1.00 0.00 C ATOM 692 CE1 TYR A 45 -0.619 -2.411 -17.395 1.00 0.00 C ATOM 693 CE2 TYR A 45 0.909 -3.224 -19.100 1.00 0.00 C ATOM 694 CZ TYR A 45 -0.036 -2.281 -18.664 1.00 0.00 C ATOM 695 OH TYR A 45 -0.400 -1.235 -19.485 1.00 0.00 O ATOM 0 H TYR A 45 0.261 -8.242 -15.640 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.401 -5.557 -14.554 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.826 -5.250 -15.340 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.608 -6.350 -16.686 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.689 -3.572 -15.579 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.999 -5.022 -18.611 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.356 -1.695 -17.062 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.353 -3.127 -20.080 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.656 -0.463 -18.938 1.00 0.00 H new ATOM 705 N ASP A 46 -2.224 -5.331 -16.218 1.00 0.00 N ATOM 706 CA ASP A 46 -3.351 -5.223 -17.136 1.00 0.00 C ATOM 707 C ASP A 46 -3.433 -3.772 -17.604 1.00 0.00 C ATOM 708 O ASP A 46 -3.616 -2.863 -16.789 1.00 0.00 O ATOM 709 CB ASP A 46 -4.652 -5.703 -16.457 1.00 0.00 C ATOM 710 CG ASP A 46 -5.744 -4.652 -16.569 1.00 0.00 C ATOM 711 OD1 ASP A 46 -5.923 -4.072 -17.668 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.327 -4.290 -15.518 1.00 0.00 O ATOM 0 H ASP A 46 -2.224 -4.637 -15.470 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.211 -5.867 -18.005 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.987 -6.631 -16.920 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.459 -5.922 -15.407 1.00 0.00 H new ATOM 717 N ASP A 47 -3.323 -3.549 -18.894 1.00 0.00 N ATOM 718 CA ASP A 47 -3.407 -2.199 -19.427 1.00 0.00 C ATOM 719 C ASP A 47 -4.867 -1.798 -19.681 1.00 0.00 C ATOM 720 O ASP A 47 -5.346 -0.768 -19.213 1.00 0.00 O ATOM 721 CB ASP A 47 -2.656 -2.228 -20.759 1.00 0.00 C ATOM 722 CG ASP A 47 -2.386 -0.838 -21.321 1.00 0.00 C ATOM 723 OD1 ASP A 47 -2.844 0.181 -20.754 1.00 0.00 O ATOM 724 OD2 ASP A 47 -1.703 -0.773 -22.371 1.00 0.00 O ATOM 0 H ASP A 47 -3.176 -4.277 -19.594 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.985 -1.480 -18.725 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.708 -2.750 -20.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.235 -2.801 -21.484 1.00 0.00 H new ATOM 729 N ALA A 48 -5.508 -2.587 -20.527 1.00 0.00 N ATOM 730 CA ALA A 48 -6.880 -2.322 -21.012 1.00 0.00 C ATOM 731 C ALA A 48 -7.973 -2.572 -19.995 1.00 0.00 C ATOM 732 O ALA A 48 -9.147 -2.321 -20.265 1.00 0.00 O ATOM 733 CB ALA A 48 -7.152 -3.205 -22.225 1.00 0.00 C ATOM 0 H ALA A 48 -5.100 -3.440 -20.908 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.911 -1.258 -21.247 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.161 -3.018 -22.592 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.432 -2.976 -23.011 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.057 -4.253 -21.941 1.00 0.00 H new ATOM 739 N THR A 49 -7.599 -3.037 -18.834 1.00 0.00 N ATOM 740 CA THR A 49 -8.556 -3.292 -17.763 1.00 0.00 C ATOM 741 C THR A 49 -8.027 -2.657 -16.495 1.00 0.00 C ATOM 742 O THR A 49 -8.473 -2.982 -15.394 1.00 0.00 O ATOM 743 CB THR A 49 -8.824 -4.808 -17.573 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.254 -5.260 -16.355 1.00 0.00 O ATOM 745 CG2 THR A 49 -8.242 -5.617 -18.739 1.00 0.00 C ATOM 0 H THR A 49 -6.632 -3.252 -18.593 1.00 0.00 H new ATOM 0 HA THR A 49 -9.517 -2.850 -18.024 1.00 0.00 H new ATOM 0 HB THR A 49 -9.903 -4.957 -17.546 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.695 -4.814 -15.602 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.443 -6.677 -18.583 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.704 -5.294 -19.672 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.165 -5.456 -18.792 1.00 0.00 H new ATOM 753 N LYS A 50 -7.067 -1.727 -16.659 1.00 0.00 N ATOM 754 CA LYS A 50 -6.456 -1.012 -15.542 1.00 0.00 C ATOM 755 C LYS A 50 -6.399 -1.884 -14.318 1.00 0.00 C ATOM 756 O LYS A 50 -7.250 -1.804 -13.434 1.00 0.00 O ATOM 757 CB LYS A 50 -7.195 0.316 -15.243 1.00 0.00 C ATOM 758 CG LYS A 50 -8.689 0.258 -15.616 1.00 0.00 C ATOM 759 CD LYS A 50 -8.894 0.434 -17.139 1.00 0.00 C ATOM 760 CE LYS A 50 -10.256 1.090 -17.404 1.00 0.00 C ATOM 761 NZ LYS A 50 -11.298 0.427 -16.567 1.00 0.00 N ATOM 0 H LYS A 50 -6.699 -1.457 -17.571 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.435 -0.760 -15.830 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.098 0.551 -14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.717 1.126 -15.795 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.109 -0.696 -15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.230 1.038 -15.081 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.096 1.049 -17.555 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.842 -0.534 -17.637 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.211 2.154 -17.172 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.514 1.005 -18.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.227 0.528 -17.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.071 -0.583 -16.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.324 0.872 -15.628 1.00 0.00 H new ATOM 775 N THR A 51 -5.349 -2.672 -14.248 1.00 0.00 N ATOM 776 CA THR A 51 -5.162 -3.513 -13.068 1.00 0.00 C ATOM 777 C THR A 51 -3.732 -4.025 -12.893 1.00 0.00 C ATOM 778 O THR A 51 -2.958 -4.156 -13.842 1.00 0.00 O ATOM 779 CB THR A 51 -6.188 -4.656 -13.030 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.436 -4.173 -13.507 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.382 -5.156 -11.596 1.00 0.00 C ATOM 0 H THR A 51 -4.628 -2.754 -14.965 1.00 0.00 H new ATOM 0 HA THR A 51 -5.341 -2.866 -12.209 1.00 0.00 H new ATOM 0 HB THR A 51 -5.824 -5.474 -13.652 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.374 -4.001 -14.470 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.112 -5.965 -11.589 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.432 -5.521 -11.206 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.741 -4.338 -10.971 1.00 0.00 H new ATOM 789 N PHE A 52 -3.457 -4.378 -11.652 1.00 0.00 N ATOM 790 CA PHE A 52 -2.196 -4.972 -11.229 1.00 0.00 C ATOM 791 C PHE A 52 -2.545 -6.108 -10.298 1.00 0.00 C ATOM 792 O PHE A 52 -3.534 -6.016 -9.568 1.00 0.00 O ATOM 793 CB PHE A 52 -1.319 -4.000 -10.466 1.00 0.00 C ATOM 794 CG PHE A 52 -0.708 -2.981 -11.369 1.00 0.00 C ATOM 795 CD1 PHE A 52 0.458 -3.305 -12.089 1.00 0.00 C ATOM 796 CD2 PHE A 52 -1.265 -1.693 -11.481 1.00 0.00 C ATOM 797 CE1 PHE A 52 1.066 -2.345 -12.920 1.00 0.00 C ATOM 798 CE2 PHE A 52 -0.651 -0.731 -12.304 1.00 0.00 C ATOM 799 CZ PHE A 52 0.515 -1.056 -13.017 1.00 0.00 C ATOM 0 H PHE A 52 -4.120 -4.258 -10.887 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.644 -5.288 -12.114 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.912 -3.499 -9.701 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.531 -4.549 -9.951 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.887 -4.292 -12.003 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.163 -1.443 -10.936 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.953 -2.598 -13.481 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.076 0.258 -12.388 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.989 -0.313 -13.641 1.00 0.00 H new ATOM 809 N THR A 53 -1.716 -7.135 -10.252 1.00 0.00 N ATOM 810 CA THR A 53 -1.970 -8.227 -9.319 1.00 0.00 C ATOM 811 C THR A 53 -0.680 -8.645 -8.646 1.00 0.00 C ATOM 812 O THR A 53 0.208 -9.230 -9.264 1.00 0.00 O ATOM 813 CB THR A 53 -2.614 -9.422 -10.041 1.00 0.00 C ATOM 814 OG1 THR A 53 -3.400 -8.945 -11.120 1.00 0.00 O ATOM 815 CG2 THR A 53 -3.508 -10.193 -9.067 1.00 0.00 C ATOM 0 H THR A 53 -0.882 -7.240 -10.830 1.00 0.00 H new ATOM 0 HA THR A 53 -2.667 -7.878 -8.557 1.00 0.00 H new ATOM 0 HB THR A 53 -1.833 -10.084 -10.415 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.812 -9.703 -11.585 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.963 -11.039 -9.582 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.908 -10.556 -8.232 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.291 -9.534 -8.692 1.00 0.00 H new ATOM 823 N VAL A 54 -0.614 -8.363 -7.357 1.00 0.00 N ATOM 824 CA VAL A 54 0.542 -8.729 -6.553 1.00 0.00 C ATOM 825 C VAL A 54 0.182 -10.002 -5.791 1.00 0.00 C ATOM 826 O VAL A 54 -0.880 -10.079 -5.169 1.00 0.00 O ATOM 827 CB VAL A 54 0.869 -7.596 -5.590 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.948 -8.036 -4.598 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.359 -6.377 -6.379 1.00 0.00 C ATOM 0 H VAL A 54 -1.350 -7.880 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 54 1.419 -8.903 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.032 -7.333 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.171 -7.216 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.591 -8.894 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.851 -8.312 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.593 -5.567 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.254 -6.643 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.580 -6.053 -7.069 1.00 0.00 H new ATOM 839 N THR A 55 1.104 -10.960 -5.767 1.00 0.00 N ATOM 840 CA THR A 55 0.862 -12.193 -4.994 1.00 0.00 C ATOM 841 C THR A 55 2.112 -12.721 -4.305 1.00 0.00 C ATOM 842 O THR A 55 2.942 -13.377 -4.928 1.00 0.00 O ATOM 843 CB THR A 55 0.236 -13.252 -5.918 1.00 0.00 C ATOM 844 OG1 THR A 55 -1.073 -12.829 -6.283 1.00 0.00 O ATOM 845 CG2 THR A 55 0.147 -14.613 -5.211 1.00 0.00 C ATOM 0 H THR A 55 2.000 -10.920 -6.253 1.00 0.00 H new ATOM 0 HA THR A 55 0.168 -11.954 -4.188 1.00 0.00 H new ATOM 0 HB THR A 55 0.864 -13.362 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.480 -13.497 -6.873 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.299 -15.345 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.147 -14.942 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.470 -14.519 -4.318 1.00 0.00 H new ATOM 853 N GLU A 56 2.197 -12.433 -2.995 1.00 0.00 N ATOM 854 CA GLU A 56 3.334 -12.858 -2.154 1.00 0.00 C ATOM 855 C GLU A 56 4.011 -14.097 -2.745 1.00 0.00 C ATOM 856 O GLU A 56 5.224 -14.081 -2.881 1.00 0.00 O ATOM 857 CB GLU A 56 2.868 -13.156 -0.714 1.00 0.00 C ATOM 858 CG GLU A 56 4.047 -13.049 0.277 1.00 0.00 C ATOM 859 CD GLU A 56 5.256 -13.818 -0.245 1.00 0.00 C ATOM 860 OE1 GLU A 56 5.111 -15.032 -0.512 1.00 0.00 O ATOM 861 OE2 GLU A 56 6.325 -13.201 -0.438 1.00 0.00 O ATOM 862 OXT GLU A 56 3.303 -15.038 -3.060 1.00 0.00 O ATOM 0 H GLU A 56 1.486 -11.903 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 56 4.054 -12.040 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.083 -12.456 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.436 -14.156 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.311 -12.002 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.750 -13.443 1.249 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.377 -7.518 18.840 1.00 0.00 N ATOM 871 CA MET B 1 -5.605 -7.801 18.043 1.00 0.00 C ATOM 872 C MET B 1 -5.468 -7.188 16.653 1.00 0.00 C ATOM 873 O MET B 1 -4.368 -6.857 16.209 1.00 0.00 O ATOM 874 CB MET B 1 -6.833 -7.225 18.767 1.00 0.00 C ATOM 875 CG MET B 1 -6.859 -5.688 18.678 1.00 0.00 C ATOM 876 SD MET B 1 -5.309 -5.026 19.335 1.00 0.00 S ATOM 877 CE MET B 1 -5.781 -3.283 19.392 1.00 0.00 C ATOM 0 H1 MET B 1 -4.356 -8.136 19.676 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.535 -7.697 18.256 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.382 -6.524 19.144 1.00 0.00 H new ATOM 0 HA MET B 1 -5.733 -8.878 17.938 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.743 -7.633 18.327 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.819 -7.532 19.813 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.992 -5.374 17.643 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.704 -5.294 19.242 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.015 -2.716 19.921 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.880 -2.900 18.377 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.733 -3.181 19.913 1.00 0.00 H new ATOM 889 N GLN B 2 -6.595 -7.039 15.970 1.00 0.00 N ATOM 890 CA GLN B 2 -6.599 -6.472 14.631 1.00 0.00 C ATOM 891 C GLN B 2 -6.338 -4.974 14.691 1.00 0.00 C ATOM 892 O GLN B 2 -7.043 -4.252 15.376 1.00 0.00 O ATOM 893 CB GLN B 2 -7.961 -6.711 13.974 1.00 0.00 C ATOM 894 CG GLN B 2 -7.856 -6.457 12.470 1.00 0.00 C ATOM 895 CD GLN B 2 -7.056 -7.580 11.837 1.00 0.00 C ATOM 896 OE1 GLN B 2 -5.954 -7.303 11.180 1.00 0.00 O flip ATOM 897 NE2 GLN B 2 -7.408 -8.742 11.999 1.00 0.00 N flip ATOM 0 H GLN B 2 -7.516 -7.303 16.321 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.814 -6.953 14.048 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.291 -7.733 14.158 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.709 -6.051 14.413 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.850 -6.406 12.026 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.373 -5.498 12.282 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -8.266 -8.948 12.511 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.843 -9.503 11.622 1.00 0.00 H new ATOM 906 N TYR B 3 -5.345 -4.512 13.937 1.00 0.00 N ATOM 907 CA TYR B 3 -5.020 -3.087 13.875 1.00 0.00 C ATOM 908 C TYR B 3 -5.451 -2.570 12.523 1.00 0.00 C ATOM 909 O TYR B 3 -5.745 -3.380 11.651 1.00 0.00 O ATOM 910 CB TYR B 3 -3.540 -2.859 14.097 1.00 0.00 C ATOM 911 CG TYR B 3 -3.220 -3.245 15.515 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.414 -2.306 16.548 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.805 -4.554 15.834 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.208 -2.686 17.888 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.606 -4.931 17.174 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.817 -3.996 18.201 1.00 0.00 C ATOM 917 OH TYR B 3 -2.613 -4.362 19.515 1.00 0.00 O ATOM 0 H TYR B 3 -4.749 -5.104 13.358 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.545 -2.549 14.664 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.953 -3.455 13.398 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.284 -1.815 13.919 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.720 -1.297 16.312 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.639 -5.272 15.044 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.352 -1.965 18.679 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.292 -5.936 17.413 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.478 -4.476 19.961 1.00 0.00 H new ATOM 927 N LYS B 4 -5.502 -1.250 12.289 1.00 0.00 N ATOM 928 CA LYS B 4 -5.916 -0.749 10.976 1.00 0.00 C ATOM 929 C LYS B 4 -5.023 0.419 10.564 1.00 0.00 C ATOM 930 O LYS B 4 -4.745 1.306 11.371 1.00 0.00 O ATOM 931 CB LYS B 4 -7.362 -0.285 11.049 1.00 0.00 C ATOM 932 CG LYS B 4 -7.817 0.173 9.665 1.00 0.00 C ATOM 933 CD LYS B 4 -9.326 0.427 9.670 1.00 0.00 C ATOM 934 CE LYS B 4 -9.643 1.682 10.478 1.00 0.00 C ATOM 935 NZ LYS B 4 -11.069 2.065 10.271 1.00 0.00 N ATOM 0 H LYS B 4 -5.268 -0.530 12.973 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.824 -1.546 10.238 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.998 -1.096 11.404 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.458 0.532 11.764 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.287 1.082 9.381 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.570 -0.585 8.922 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.687 0.542 8.648 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.846 -0.431 10.097 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.454 1.502 11.536 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.989 2.498 10.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.282 2.920 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.235 2.254 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -11.686 1.288 10.584 1.00 0.00 H new ATOM 949 N LEU B 5 -4.567 0.417 9.310 1.00 0.00 N ATOM 950 CA LEU B 5 -3.686 1.481 8.813 1.00 0.00 C ATOM 951 C LEU B 5 -4.438 2.509 7.993 1.00 0.00 C ATOM 952 O LEU B 5 -4.946 2.182 6.930 1.00 0.00 O ATOM 953 CB LEU B 5 -2.592 0.854 7.932 1.00 0.00 C ATOM 954 CG LEU B 5 -1.405 1.818 7.658 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.865 3.032 6.837 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.741 2.291 8.972 1.00 0.00 C ATOM 0 H LEU B 5 -4.790 -0.303 8.623 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.256 1.987 9.678 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.216 -0.047 8.416 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -3.030 0.547 6.982 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.664 1.262 7.084 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.017 3.693 6.658 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -2.270 2.694 5.883 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.636 3.572 7.387 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.085 2.964 8.741 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.476 2.815 9.583 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.363 1.428 9.520 1.00 0.00 H new ATOM 968 N ILE B 6 -4.454 3.773 8.450 1.00 0.00 N ATOM 969 CA ILE B 6 -5.094 4.839 7.673 1.00 0.00 C ATOM 970 C ILE B 6 -4.006 5.627 6.981 1.00 0.00 C ATOM 971 O ILE B 6 -3.044 6.067 7.618 1.00 0.00 O ATOM 972 CB ILE B 6 -5.918 5.781 8.543 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.957 4.966 9.301 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.621 6.789 7.630 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.731 5.865 10.269 1.00 0.00 C ATOM 0 H ILE B 6 -4.041 4.073 9.333 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.778 4.381 6.959 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.280 6.306 9.254 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.646 4.498 8.598 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.468 4.162 9.852 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.217 7.473 8.234 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.876 7.354 7.070 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.272 6.258 6.935 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.471 5.271 10.805 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.039 6.312 10.982 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.235 6.653 9.710 1.00 0.00 H new ATOM 987 N LEU B 7 -4.126 5.771 5.665 1.00 0.00 N ATOM 988 CA LEU B 7 -3.114 6.467 4.884 1.00 0.00 C ATOM 989 C LEU B 7 -3.594 7.838 4.422 1.00 0.00 C ATOM 990 O LEU B 7 -4.579 7.954 3.695 1.00 0.00 O ATOM 991 CB LEU B 7 -2.746 5.614 3.675 1.00 0.00 C ATOM 992 CG LEU B 7 -1.448 6.122 3.046 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.243 5.850 3.970 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.252 5.415 1.710 1.00 0.00 C ATOM 0 H LEU B 7 -4.912 5.416 5.120 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.242 6.624 5.519 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.629 4.573 3.977 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.551 5.645 2.941 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.516 7.200 2.898 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.667 6.221 3.499 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.392 6.359 4.922 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.151 4.778 4.142 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.330 5.764 1.245 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.191 4.339 1.873 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.095 5.635 1.055 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.830 8.861 4.799 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.112 10.233 4.360 1.00 0.00 C ATOM 1008 C ASN B 8 -1.889 10.817 3.675 1.00 0.00 C ATOM 1009 O ASN B 8 -0.789 10.823 4.230 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.557 11.122 5.514 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.365 10.328 6.514 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.553 10.098 6.325 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -3.772 10.015 7.643 1.00 0.00 N ATOM 0 H ASN B 8 -2.014 8.771 5.404 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.938 10.194 3.650 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.685 11.555 6.004 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.153 11.951 5.133 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.302 9.568 8.391 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.781 10.219 7.772 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.091 11.301 2.469 1.00 0.00 N ATOM 1021 CA GLY B 9 -1.001 11.887 1.702 1.00 0.00 C ATOM 1022 C GLY B 9 -1.472 12.371 0.340 1.00 0.00 C ATOM 1023 O GLY B 9 -2.669 12.500 0.094 1.00 0.00 O ATOM 0 H GLY B 9 -2.994 11.303 1.995 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.572 12.721 2.257 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.209 11.150 1.573 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.511 12.657 -0.539 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.814 13.155 -1.882 1.00 0.00 C ATOM 1029 C LYS B 10 -0.501 12.096 -2.943 1.00 0.00 C ATOM 1030 O LYS B 10 -1.346 11.774 -3.776 1.00 0.00 O ATOM 1031 CB LYS B 10 0.008 14.426 -2.149 1.00 0.00 C ATOM 1032 CG LYS B 10 0.098 15.282 -0.871 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.302 15.745 -0.453 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.193 16.635 0.785 1.00 0.00 C ATOM 1035 NZ LYS B 10 -0.318 17.799 0.478 1.00 0.00 N ATOM 0 H LYS B 10 0.485 12.552 -0.345 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.878 13.385 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.009 14.156 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.453 15.004 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.554 14.704 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.739 16.146 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.774 16.293 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.934 14.883 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.182 16.979 1.088 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.783 16.067 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -0.549 18.585 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 0.678 17.528 0.607 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.471 18.098 -0.506 1.00 0.00 H new ATOM 1049 N THR B 11 0.720 11.567 -2.911 1.00 0.00 N ATOM 1050 CA THR B 11 1.145 10.549 -3.878 1.00 0.00 C ATOM 1051 C THR B 11 0.503 9.196 -3.569 1.00 0.00 C ATOM 1052 O THR B 11 0.503 8.290 -4.402 1.00 0.00 O ATOM 1053 CB THR B 11 2.671 10.382 -3.823 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.300 11.616 -4.135 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.120 9.312 -4.826 1.00 0.00 C ATOM 0 H THR B 11 1.434 11.823 -2.229 1.00 0.00 H new ATOM 0 HA THR B 11 0.832 10.880 -4.868 1.00 0.00 H new ATOM 0 HB THR B 11 2.956 10.072 -2.818 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.273 11.506 -4.097 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.203 9.201 -4.779 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.647 8.361 -4.580 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.829 9.612 -5.833 1.00 0.00 H new ATOM 1063 N LEU B 12 -0.032 9.070 -2.364 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.651 7.812 -1.951 1.00 0.00 C ATOM 1065 C LEU B 12 -1.783 8.064 -0.960 1.00 0.00 C ATOM 1066 O LEU B 12 -1.680 8.920 -0.080 1.00 0.00 O ATOM 1067 CB LEU B 12 0.445 6.919 -1.349 1.00 0.00 C ATOM 1068 CG LEU B 12 0.060 5.428 -1.410 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.057 4.961 -2.886 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.144 4.596 -0.683 1.00 0.00 C ATOM 0 H LEU B 12 -0.052 9.809 -1.662 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.097 7.309 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.380 7.076 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.622 7.208 -0.313 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.905 5.286 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.329 3.906 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.823 5.547 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.900 5.102 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.879 3.539 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.107 4.747 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.211 4.915 0.357 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.839 7.264 -1.080 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.983 7.335 -0.178 1.00 0.00 C ATOM 1084 C LYS B 13 -4.590 5.938 -0.082 1.00 0.00 C ATOM 1085 O LYS B 13 -4.631 5.224 -1.083 1.00 0.00 O ATOM 1086 CB LYS B 13 -5.052 8.302 -0.704 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.520 9.736 -0.722 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.625 10.662 -1.228 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.110 12.101 -1.326 1.00 0.00 C ATOM 1090 NZ LYS B 13 -5.076 12.721 0.032 1.00 0.00 N ATOM 0 H LYS B 13 -2.925 6.550 -1.804 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.647 7.696 0.794 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.353 8.008 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.941 8.246 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.205 10.035 0.278 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.644 9.806 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.972 10.325 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.481 10.620 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.112 12.111 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.754 12.683 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.460 13.686 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.650 12.153 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.094 12.756 0.373 1.00 0.00 H new ATOM 1104 N GLY B 14 -5.078 5.541 1.086 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.689 4.213 1.204 1.00 0.00 C ATOM 1106 C GLY B 14 -5.731 3.718 2.643 1.00 0.00 C ATOM 1107 O GLY B 14 -5.365 4.435 3.575 1.00 0.00 O ATOM 0 H GLY B 14 -5.067 6.095 1.943 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.703 4.246 0.804 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -5.129 3.503 0.595 1.00 0.00 H new ATOM 1111 N GLU B 15 -6.196 2.476 2.823 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.292 1.887 4.163 1.00 0.00 C ATOM 1113 C GLU B 15 -5.912 0.400 4.148 1.00 0.00 C ATOM 1114 O GLU B 15 -6.524 -0.392 3.429 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.729 1.994 4.698 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.212 3.449 4.719 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.717 3.458 4.962 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.135 3.209 6.115 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.473 3.584 3.974 1.00 0.00 O ATOM 0 H GLU B 15 -6.508 1.866 2.067 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.602 2.439 4.801 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.396 1.397 4.076 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.776 1.579 5.705 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.699 4.007 5.502 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.978 3.939 3.774 1.00 0.00 H new ATOM 1126 N THR B 16 -4.922 0.018 4.961 1.00 0.00 N ATOM 1127 CA THR B 16 -4.502 -1.395 5.053 1.00 0.00 C ATOM 1128 C THR B 16 -4.927 -1.922 6.415 1.00 0.00 C ATOM 1129 O THR B 16 -5.296 -1.134 7.279 1.00 0.00 O ATOM 1130 CB THR B 16 -2.983 -1.535 4.853 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.311 -1.339 6.087 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.499 -0.493 3.831 1.00 0.00 C ATOM 0 H THR B 16 -4.398 0.655 5.561 1.00 0.00 H new ATOM 0 HA THR B 16 -4.977 -1.978 4.264 1.00 0.00 H new ATOM 0 HB THR B 16 -2.763 -2.536 4.483 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.345 -1.431 5.952 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.423 -0.594 3.691 1.00 0.00 H new ATOM 0 HG22 THR B 16 -3.006 -0.654 2.879 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.725 0.508 4.197 1.00 0.00 H new ATOM 1140 N THR B 17 -4.890 -3.238 6.643 1.00 0.00 N ATOM 1141 CA THR B 17 -5.292 -3.781 7.937 1.00 0.00 C ATOM 1142 C THR B 17 -4.475 -5.048 8.224 1.00 0.00 C ATOM 1143 O THR B 17 -4.415 -5.947 7.390 1.00 0.00 O ATOM 1144 CB THR B 17 -6.800 -4.112 7.896 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.462 -3.153 7.083 1.00 0.00 O ATOM 1146 CG2 THR B 17 -7.407 -4.066 9.304 1.00 0.00 C ATOM 0 H THR B 17 -4.591 -3.934 5.960 1.00 0.00 H new ATOM 0 HA THR B 17 -5.108 -3.054 8.728 1.00 0.00 H new ATOM 0 HB THR B 17 -6.925 -5.116 7.490 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.420 -3.357 7.051 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.470 -4.302 9.250 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.905 -4.795 9.941 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.278 -3.068 9.723 1.00 0.00 H new ATOM 1154 N THR B 18 -3.853 -5.121 9.400 1.00 0.00 N ATOM 1155 CA THR B 18 -3.059 -6.303 9.768 1.00 0.00 C ATOM 1156 C THR B 18 -3.361 -6.663 11.203 1.00 0.00 C ATOM 1157 O THR B 18 -3.798 -5.803 11.973 1.00 0.00 O ATOM 1158 CB THR B 18 -1.534 -6.043 9.598 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.920 -7.255 9.188 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.856 -5.584 10.920 1.00 0.00 C ATOM 0 H THR B 18 -3.879 -4.388 10.109 1.00 0.00 H new ATOM 0 HA THR B 18 -3.328 -7.125 9.105 1.00 0.00 H new ATOM 0 HB THR B 18 -1.412 -5.247 8.863 1.00 0.00 H new ATOM 0 HG1 THR B 18 -0.601 -7.165 8.266 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.207 -5.417 10.745 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.317 -4.658 11.263 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.981 -6.355 11.680 1.00 0.00 H new ATOM 1168 N GLU B 19 -3.067 -7.893 11.608 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.248 -8.303 12.985 1.00 0.00 C ATOM 1170 C GLU B 19 -1.879 -8.735 13.461 1.00 0.00 C ATOM 1171 O GLU B 19 -1.250 -9.597 12.848 1.00 0.00 O ATOM 1172 CB GLU B 19 -4.227 -9.480 13.065 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.391 -9.947 14.517 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.348 -11.130 14.551 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.866 -12.249 14.266 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.570 -10.938 14.730 1.00 0.00 O ATOM 0 H GLU B 19 -2.701 -8.622 10.996 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.657 -7.498 13.595 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.195 -9.183 12.661 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.864 -10.304 12.451 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.424 -10.232 14.932 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.775 -9.134 15.133 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.410 -8.125 14.528 1.00 0.00 N ATOM 1184 CA ALA B 20 -0.090 -8.432 15.055 1.00 0.00 C ATOM 1185 C ALA B 20 -0.247 -9.116 16.382 1.00 0.00 C ATOM 1186 O ALA B 20 -1.366 -9.292 16.861 1.00 0.00 O ATOM 1187 CB ALA B 20 0.719 -7.152 15.219 1.00 0.00 C ATOM 0 H ALA B 20 -1.920 -7.413 15.050 1.00 0.00 H new ATOM 0 HA ALA B 20 0.439 -9.087 14.363 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.706 -7.393 15.614 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.826 -6.662 14.251 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.205 -6.483 15.909 1.00 0.00 H new ATOM 1193 N VAL B 21 0.856 -9.490 16.994 1.00 0.00 N ATOM 1194 CA VAL B 21 0.741 -10.132 18.271 1.00 0.00 C ATOM 1195 C VAL B 21 0.090 -9.168 19.248 1.00 0.00 C ATOM 1196 O VAL B 21 -0.747 -9.588 20.047 1.00 0.00 O ATOM 1197 CB VAL B 21 2.092 -10.630 18.793 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.112 -9.503 18.783 1.00 0.00 C ATOM 1199 CG2 VAL B 21 1.921 -11.150 20.222 1.00 0.00 C ATOM 0 H VAL B 21 1.804 -9.365 16.640 1.00 0.00 H new ATOM 0 HA VAL B 21 0.116 -11.018 18.162 1.00 0.00 H new ATOM 0 HB VAL B 21 2.448 -11.432 18.146 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.067 -9.873 19.157 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.239 -9.136 17.765 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.763 -8.691 19.421 1.00 0.00 H new ATOM 0 HG21 VAL B 21 2.881 -11.505 20.597 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.557 -10.345 20.861 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.203 -11.970 20.227 1.00 0.00 H new ATOM 1209 N ASP B 22 0.440 -7.870 19.196 1.00 0.00 N ATOM 1210 CA ASP B 22 -0.161 -6.911 20.102 1.00 0.00 C ATOM 1211 C ASP B 22 0.260 -5.463 19.726 1.00 0.00 C ATOM 1212 O ASP B 22 0.826 -5.198 18.656 1.00 0.00 O ATOM 1213 CB ASP B 22 0.275 -7.241 21.540 1.00 0.00 C ATOM 1214 CG ASP B 22 -0.461 -6.367 22.547 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -1.707 -6.465 22.657 1.00 0.00 O ATOM 1216 OD2 ASP B 22 0.212 -5.528 23.192 1.00 0.00 O ATOM 0 H ASP B 22 1.123 -7.480 18.546 1.00 0.00 H new ATOM 0 HA ASP B 22 -1.247 -6.973 20.026 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.077 -8.292 21.752 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.350 -7.092 21.641 1.00 0.00 H new ATOM 1221 N ALA B 23 -0.067 -4.557 20.637 1.00 0.00 N ATOM 1222 CA ALA B 23 0.213 -3.128 20.475 1.00 0.00 C ATOM 1223 C ALA B 23 1.682 -2.895 20.083 1.00 0.00 C ATOM 1224 O ALA B 23 1.976 -2.095 19.225 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.103 -2.382 21.777 1.00 0.00 C ATOM 0 H ALA B 23 -0.535 -4.788 21.513 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.420 -2.745 19.675 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.108 -1.320 21.648 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.156 -2.515 22.026 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.514 -2.779 22.583 1.00 0.00 H new ATOM 1231 N ALA B 24 2.608 -3.521 20.767 1.00 0.00 N ATOM 1232 CA ALA B 24 4.023 -3.294 20.492 1.00 0.00 C ATOM 1233 C ALA B 24 4.451 -3.755 19.089 1.00 0.00 C ATOM 1234 O ALA B 24 5.344 -3.158 18.493 1.00 0.00 O ATOM 1235 CB ALA B 24 4.874 -4.015 21.537 1.00 0.00 C ATOM 0 H ALA B 24 2.419 -4.189 21.515 1.00 0.00 H new ATOM 0 HA ALA B 24 4.179 -2.216 20.539 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.930 -3.843 21.328 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.633 -3.633 22.529 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.666 -5.084 21.500 1.00 0.00 H new ATOM 1241 N THR B 25 3.844 -4.825 18.582 1.00 0.00 N ATOM 1242 CA THR B 25 4.231 -5.363 17.265 1.00 0.00 C ATOM 1243 C THR B 25 3.555 -4.684 16.072 1.00 0.00 C ATOM 1244 O THR B 25 4.248 -4.187 15.185 1.00 0.00 O ATOM 1245 CB THR B 25 3.975 -6.859 17.215 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.616 -7.453 18.333 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.555 -7.431 15.909 1.00 0.00 C ATOM 0 H THR B 25 3.094 -5.335 19.048 1.00 0.00 H new ATOM 0 HA THR B 25 5.295 -5.148 17.167 1.00 0.00 H new ATOM 0 HB THR B 25 2.906 -7.068 17.245 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.277 -8.106 18.022 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.373 -8.505 15.870 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.075 -6.950 15.057 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.628 -7.243 15.875 1.00 0.00 H new ATOM 1255 N ALA B 26 2.227 -4.651 16.021 1.00 0.00 N ATOM 1256 CA ALA B 26 1.570 -4.013 14.877 1.00 0.00 C ATOM 1257 C ALA B 26 2.182 -2.634 14.694 1.00 0.00 C ATOM 1258 O ALA B 26 2.575 -2.226 13.609 1.00 0.00 O ATOM 1259 CB ALA B 26 0.048 -3.914 15.135 1.00 0.00 C ATOM 0 H ALA B 26 1.602 -5.041 16.726 1.00 0.00 H new ATOM 0 HA ALA B 26 1.716 -4.600 13.971 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.436 -3.439 14.281 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.363 -4.914 15.275 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.131 -3.319 16.031 1.00 0.00 H new ATOM 1265 N GLU B 27 2.341 -1.997 15.814 1.00 0.00 N ATOM 1266 CA GLU B 27 2.982 -0.703 15.853 1.00 0.00 C ATOM 1267 C GLU B 27 4.373 -0.826 15.255 1.00 0.00 C ATOM 1268 O GLU B 27 4.753 -0.064 14.356 1.00 0.00 O ATOM 1269 CB GLU B 27 3.025 -0.197 17.285 1.00 0.00 C ATOM 1270 CG GLU B 27 1.617 0.279 17.710 1.00 0.00 C ATOM 1271 CD GLU B 27 0.517 -0.760 17.398 1.00 0.00 C ATOM 1272 OE1 GLU B 27 0.692 -1.940 17.772 1.00 0.00 O ATOM 1273 OE2 GLU B 27 -0.562 -0.347 16.921 1.00 0.00 O ATOM 0 H GLU B 27 2.036 -2.348 16.722 1.00 0.00 H new ATOM 0 HA GLU B 27 2.419 0.022 15.265 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.368 -0.989 17.951 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.738 0.623 17.370 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.617 0.492 18.779 1.00 0.00 H new ATOM 0 HG3 GLU B 27 1.384 1.213 17.199 1.00 0.00 H new ATOM 1280 N LYS B 28 5.124 -1.802 15.734 1.00 0.00 N ATOM 1281 CA LYS B 28 6.473 -2.007 15.212 1.00 0.00 C ATOM 1282 C LYS B 28 6.453 -2.245 13.697 1.00 0.00 C ATOM 1283 O LYS B 28 7.277 -1.692 12.970 1.00 0.00 O ATOM 1284 CB LYS B 28 7.116 -3.219 15.890 1.00 0.00 C ATOM 1285 CG LYS B 28 8.588 -3.345 15.483 1.00 0.00 C ATOM 1286 CD LYS B 28 9.156 -4.671 16.008 1.00 0.00 C ATOM 1287 CE LYS B 28 9.085 -4.720 17.539 1.00 0.00 C ATOM 1288 NZ LYS B 28 9.480 -3.402 18.106 1.00 0.00 N ATOM 0 H LYS B 28 4.837 -2.453 16.465 1.00 0.00 H new ATOM 0 HA LYS B 28 7.050 -1.106 15.421 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.039 -3.120 16.973 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.578 -4.126 15.614 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.681 -3.302 14.398 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.160 -2.508 15.885 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.596 -5.505 15.586 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.190 -4.784 15.683 1.00 0.00 H new ATOM 0 HE2 LYS B 28 8.074 -4.974 17.857 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.744 -5.501 17.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 9.806 -3.529 19.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.248 -2.995 17.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 8.662 -2.760 18.094 1.00 0.00 H new ATOM 1302 N VAL B 29 5.541 -3.094 13.225 1.00 0.00 N ATOM 1303 CA VAL B 29 5.488 -3.414 11.798 1.00 0.00 C ATOM 1304 C VAL B 29 5.106 -2.215 10.930 1.00 0.00 C ATOM 1305 O VAL B 29 5.866 -1.832 10.040 1.00 0.00 O ATOM 1306 CB VAL B 29 4.474 -4.539 11.576 1.00 0.00 C ATOM 1307 CG1 VAL B 29 4.341 -4.836 10.080 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.950 -5.802 12.297 1.00 0.00 C ATOM 0 H VAL B 29 4.840 -3.565 13.797 1.00 0.00 H new ATOM 0 HA VAL B 29 6.490 -3.721 11.498 1.00 0.00 H new ATOM 0 HB VAL B 29 3.506 -4.229 11.970 1.00 0.00 H new ATOM 0 HG11 VAL B 29 3.618 -5.638 9.931 1.00 0.00 H new ATOM 0 HG12 VAL B 29 4.002 -3.940 9.560 1.00 0.00 H new ATOM 0 HG13 VAL B 29 5.309 -5.142 9.682 1.00 0.00 H new ATOM 0 HG21 VAL B 29 4.229 -6.604 12.140 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.920 -6.103 11.901 1.00 0.00 H new ATOM 0 HG23 VAL B 29 5.041 -5.599 13.364 1.00 0.00 H new ATOM 1318 N PHE B 30 3.917 -1.655 11.126 1.00 0.00 N ATOM 1319 CA PHE B 30 3.516 -0.558 10.261 1.00 0.00 C ATOM 1320 C PHE B 30 4.579 0.556 10.277 1.00 0.00 C ATOM 1321 O PHE B 30 4.807 1.212 9.251 1.00 0.00 O ATOM 1322 CB PHE B 30 2.152 0.045 10.622 1.00 0.00 C ATOM 1323 CG PHE B 30 0.983 -0.920 10.447 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.367 -1.148 9.198 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.483 -1.571 11.592 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.733 -2.020 9.097 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.620 -2.437 11.491 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.234 -2.652 10.245 1.00 0.00 C ATOM 0 H PHE B 30 3.243 -1.928 11.842 1.00 0.00 H new ATOM 0 HA PHE B 30 3.424 -0.987 9.263 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.178 0.384 11.658 1.00 0.00 H new ATOM 0 HB3 PHE B 30 1.980 0.925 10.003 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.742 -0.651 8.315 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.949 -1.404 12.552 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.191 -2.203 8.136 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -0.996 -2.937 12.371 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.092 -3.304 10.171 1.00 0.00 H new ATOM 1338 N LYS B 31 5.270 0.757 11.418 1.00 0.00 N ATOM 1339 CA LYS B 31 6.325 1.782 11.443 1.00 0.00 C ATOM 1340 C LYS B 31 7.397 1.413 10.466 1.00 0.00 C ATOM 1341 O LYS B 31 7.896 2.249 9.717 1.00 0.00 O ATOM 1342 CB LYS B 31 6.935 1.964 12.839 1.00 0.00 C ATOM 1343 CG LYS B 31 5.988 2.795 13.700 1.00 0.00 C ATOM 1344 CD LYS B 31 6.681 3.195 14.990 1.00 0.00 C ATOM 1345 CE LYS B 31 5.808 4.211 15.724 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.504 4.652 16.967 1.00 0.00 N ATOM 0 H LYS B 31 5.126 0.250 12.291 1.00 0.00 H new ATOM 0 HA LYS B 31 5.868 2.732 11.166 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.108 0.993 13.302 1.00 0.00 H new ATOM 0 HB3 LYS B 31 7.904 2.458 12.763 1.00 0.00 H new ATOM 0 HG2 LYS B 31 5.673 3.685 13.155 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.088 2.222 13.923 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.848 2.319 15.616 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.660 3.624 14.775 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.609 5.068 15.081 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.844 3.768 15.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.912 5.344 17.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.672 3.830 17.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.414 5.090 16.719 1.00 0.00 H new ATOM 1360 N GLN B 32 7.759 0.162 10.504 1.00 0.00 N ATOM 1361 CA GLN B 32 8.807 -0.307 9.628 1.00 0.00 C ATOM 1362 C GLN B 32 8.574 0.241 8.203 1.00 0.00 C ATOM 1363 O GLN B 32 9.523 0.614 7.517 1.00 0.00 O ATOM 1364 CB GLN B 32 8.867 -1.846 9.623 1.00 0.00 C ATOM 1365 CG GLN B 32 10.346 -2.346 9.560 1.00 0.00 C ATOM 1366 CD GLN B 32 10.814 -3.021 10.862 1.00 0.00 C ATOM 1367 OE1 GLN B 32 10.015 -3.099 11.906 1.00 0.00 O flip ATOM 1368 NE2 GLN B 32 11.637 -3.899 10.636 1.00 0.00 N flip ATOM 0 H GLN B 32 7.355 -0.545 11.119 1.00 0.00 H new ATOM 0 HA GLN B 32 9.766 0.059 9.994 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.385 -2.236 10.520 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.311 -2.233 8.769 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.450 -3.051 8.735 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.999 -1.501 9.341 1.00 0.00 H new ATOM 0 HE21 GLN B 32 12.250 -3.827 9.824 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.710 -4.703 11.260 1.00 0.00 H new ATOM 1377 N TYR B 33 7.313 0.241 7.748 1.00 0.00 N ATOM 1378 CA TYR B 33 7.013 0.695 6.388 1.00 0.00 C ATOM 1379 C TYR B 33 6.917 2.229 6.232 1.00 0.00 C ATOM 1380 O TYR B 33 7.596 2.788 5.381 1.00 0.00 O ATOM 1381 CB TYR B 33 5.638 0.153 5.939 1.00 0.00 C ATOM 1382 CG TYR B 33 5.615 -1.355 5.751 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.976 -2.218 6.809 1.00 0.00 C ATOM 1384 CD2 TYR B 33 5.128 -1.915 4.551 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.884 -3.614 6.656 1.00 0.00 C ATOM 1386 CE2 TYR B 33 5.038 -3.313 4.400 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.420 -4.164 5.451 1.00 0.00 C ATOM 1388 OH TYR B 33 5.346 -5.533 5.301 1.00 0.00 O ATOM 0 H TYR B 33 6.503 -0.061 8.289 1.00 0.00 H new ATOM 0 HA TYR B 33 7.846 0.325 5.790 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.887 0.431 6.679 1.00 0.00 H new ATOM 0 HB3 TYR B 33 5.355 0.633 5.002 1.00 0.00 H new ATOM 0 HD1 TYR B 33 6.325 -1.803 7.743 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.822 -1.268 3.743 1.00 0.00 H new ATOM 0 HE1 TYR B 33 6.172 -4.264 7.469 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.674 -3.732 3.473 1.00 0.00 H new ATOM 0 HH TYR B 33 5.003 -5.746 4.408 1.00 0.00 H new ATOM 1398 N PHE B 34 6.010 2.895 6.987 1.00 0.00 N ATOM 1399 CA PHE B 34 5.793 4.357 6.763 1.00 0.00 C ATOM 1400 C PHE B 34 6.692 5.314 7.535 1.00 0.00 C ATOM 1401 O PHE B 34 6.213 6.322 8.053 1.00 0.00 O ATOM 1402 CB PHE B 34 4.327 4.778 6.973 1.00 0.00 C ATOM 1403 CG PHE B 34 3.423 3.915 6.123 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.265 4.179 4.746 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.788 2.797 6.695 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.486 3.325 3.947 1.00 0.00 C ATOM 1407 CE2 PHE B 34 2.011 1.941 5.893 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.860 2.206 4.519 1.00 0.00 C ATOM 0 H PHE B 34 5.440 2.476 7.722 1.00 0.00 H new ATOM 0 HA PHE B 34 6.079 4.458 5.716 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.057 4.679 8.024 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.198 5.828 6.708 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.744 5.040 4.305 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.897 2.596 7.750 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.369 3.529 2.893 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.530 1.080 6.332 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.263 1.549 3.905 1.00 0.00 H new ATOM 1418 N ASN B 35 7.990 5.039 7.581 1.00 0.00 N ATOM 1419 CA ASN B 35 8.936 5.915 8.252 1.00 0.00 C ATOM 1420 C ASN B 35 9.781 6.616 7.187 1.00 0.00 C ATOM 1421 O ASN B 35 10.533 7.547 7.467 1.00 0.00 O ATOM 1422 CB ASN B 35 9.761 5.020 9.207 1.00 0.00 C ATOM 1423 CG ASN B 35 11.275 5.274 9.194 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.789 5.990 8.341 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.908 4.970 10.306 1.00 0.00 N ATOM 0 H ASN B 35 8.411 4.211 7.159 1.00 0.00 H new ATOM 0 HA ASN B 35 8.463 6.701 8.840 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.393 5.164 10.223 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.581 3.977 8.948 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.847 5.332 10.474 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.460 4.373 11.001 1.00 0.00 H new ATOM 1432 N ASP B 36 9.624 6.152 5.965 1.00 0.00 N ATOM 1433 CA ASP B 36 10.341 6.677 4.820 1.00 0.00 C ATOM 1434 C ASP B 36 9.348 6.564 3.656 1.00 0.00 C ATOM 1435 O ASP B 36 8.372 7.286 3.654 1.00 0.00 O ATOM 1436 CB ASP B 36 11.653 5.846 4.665 1.00 0.00 C ATOM 1437 CG ASP B 36 12.585 6.538 3.696 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.326 6.437 2.476 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.193 7.521 4.183 1.00 0.00 O ATOM 0 H ASP B 36 8.987 5.390 5.735 1.00 0.00 H new ATOM 0 HA ASP B 36 10.664 7.715 4.893 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.139 5.733 5.634 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.419 4.844 4.306 1.00 0.00 H new ATOM 1444 N ASN B 37 9.628 5.844 2.602 1.00 0.00 N ATOM 1445 CA ASN B 37 8.734 5.793 1.415 1.00 0.00 C ATOM 1446 C ASN B 37 8.386 7.188 0.914 1.00 0.00 C ATOM 1447 O ASN B 37 7.276 7.448 0.477 1.00 0.00 O ATOM 1448 CB ASN B 37 7.424 4.982 1.626 1.00 0.00 C ATOM 1449 CG ASN B 37 7.516 4.148 2.857 1.00 0.00 C ATOM 1450 OD1 ASN B 37 6.481 3.916 3.635 1.00 0.00 O flip ATOM 1451 ND2 ASN B 37 8.460 3.366 2.819 1.00 0.00 N flip ATOM 0 H ASN B 37 10.468 5.272 2.516 1.00 0.00 H new ATOM 0 HA ASN B 37 9.317 5.260 0.664 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.577 5.663 1.704 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.241 4.344 0.761 1.00 0.00 H new ATOM 0 HD21 ASN B 37 9.257 3.557 2.211 1.00 0.00 H new ATOM 0 HD22 ASN B 37 8.448 2.524 3.395 1.00 0.00 H new ATOM 1458 N GLY B 38 9.363 8.052 0.948 1.00 0.00 N ATOM 1459 CA GLY B 38 9.187 9.420 0.464 1.00 0.00 C ATOM 1460 C GLY B 38 7.985 10.121 1.115 1.00 0.00 C ATOM 1461 O GLY B 38 7.716 11.289 0.830 1.00 0.00 O ATOM 0 H GLY B 38 10.296 7.846 1.304 1.00 0.00 H new ATOM 0 HA2 GLY B 38 10.092 9.993 0.666 1.00 0.00 H new ATOM 0 HA3 GLY B 38 9.054 9.406 -0.618 1.00 0.00 H new ATOM 1465 N VAL B 39 7.258 9.409 1.979 1.00 0.00 N ATOM 1466 CA VAL B 39 6.084 9.979 2.653 1.00 0.00 C ATOM 1467 C VAL B 39 6.402 10.340 4.104 1.00 0.00 C ATOM 1468 O VAL B 39 6.083 11.440 4.553 1.00 0.00 O ATOM 1469 CB VAL B 39 4.938 8.951 2.612 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.697 9.468 3.352 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.552 8.647 1.153 1.00 0.00 C ATOM 0 H VAL B 39 7.458 8.441 2.229 1.00 0.00 H new ATOM 0 HA VAL B 39 5.791 10.893 2.136 1.00 0.00 H new ATOM 0 HB VAL B 39 5.292 8.045 3.105 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.907 8.719 3.304 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.950 9.663 4.394 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.352 10.390 2.884 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.741 7.919 1.135 1.00 0.00 H new ATOM 0 HG22 VAL B 39 4.226 9.565 0.664 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.415 8.241 0.625 1.00 0.00 H new ATOM 1481 N ASP B 40 6.999 9.392 4.842 1.00 0.00 N ATOM 1482 CA ASP B 40 7.327 9.595 6.263 1.00 0.00 C ATOM 1483 C ASP B 40 6.279 10.483 6.931 1.00 0.00 C ATOM 1484 O ASP B 40 6.599 11.360 7.737 1.00 0.00 O ATOM 1485 CB ASP B 40 8.741 10.186 6.432 1.00 0.00 C ATOM 1486 CG ASP B 40 8.774 11.708 6.258 1.00 0.00 C ATOM 1487 OD1 ASP B 40 7.743 12.327 5.897 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.868 12.295 6.449 1.00 0.00 O ATOM 0 H ASP B 40 7.265 8.477 4.479 1.00 0.00 H new ATOM 0 HA ASP B 40 7.317 8.622 6.755 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.121 9.930 7.421 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.411 9.727 5.705 1.00 0.00 H new ATOM 1493 N GLY B 41 5.029 10.254 6.553 1.00 0.00 N ATOM 1494 CA GLY B 41 3.916 11.033 7.066 1.00 0.00 C ATOM 1495 C GLY B 41 3.895 11.063 8.586 1.00 0.00 C ATOM 1496 O GLY B 41 4.589 10.289 9.240 1.00 0.00 O ATOM 0 H GLY B 41 4.761 9.529 5.888 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.980 12.052 6.684 1.00 0.00 H new ATOM 0 HA3 GLY B 41 2.980 10.613 6.699 1.00 0.00 H new ATOM 1500 N GLU B 42 3.094 11.967 9.145 1.00 0.00 N ATOM 1501 CA GLU B 42 3.003 12.083 10.586 1.00 0.00 C ATOM 1502 C GLU B 42 2.479 10.790 11.168 1.00 0.00 C ATOM 1503 O GLU B 42 1.558 10.175 10.630 1.00 0.00 O ATOM 1504 CB GLU B 42 2.076 13.254 11.001 1.00 0.00 C ATOM 1505 CG GLU B 42 2.712 14.041 12.166 1.00 0.00 C ATOM 1506 CD GLU B 42 3.895 14.836 11.613 1.00 0.00 C ATOM 1507 OE1 GLU B 42 4.042 14.820 10.370 1.00 0.00 O ATOM 1508 OE2 GLU B 42 4.661 15.453 12.385 1.00 0.00 O ATOM 0 H GLU B 42 2.508 12.619 8.624 1.00 0.00 H new ATOM 0 HA GLU B 42 4.001 12.287 10.973 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.910 13.916 10.151 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.101 12.869 11.300 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.980 14.712 12.616 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.044 13.359 12.949 1.00 0.00 H new ATOM 1515 N TRP B 43 3.076 10.390 12.273 1.00 0.00 N ATOM 1516 CA TRP B 43 2.667 9.167 12.941 1.00 0.00 C ATOM 1517 C TRP B 43 1.675 9.385 14.030 1.00 0.00 C ATOM 1518 O TRP B 43 1.777 10.302 14.846 1.00 0.00 O ATOM 1519 CB TRP B 43 3.877 8.356 13.431 1.00 0.00 C ATOM 1520 CG TRP B 43 4.094 7.340 12.429 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.553 7.555 11.175 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.805 5.907 12.501 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.549 6.373 10.464 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.082 5.326 11.225 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.327 5.038 13.509 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 3.881 3.963 10.957 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.126 3.667 13.250 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.394 3.133 11.979 1.00 0.00 C ATOM 0 H TRP B 43 3.841 10.889 12.726 1.00 0.00 H new ATOM 0 HA TRP B 43 2.151 8.576 12.184 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.756 8.991 13.542 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.681 7.910 14.406 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.875 8.510 10.788 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.854 6.286 9.495 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.113 5.431 14.492 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.098 3.559 9.979 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.763 3.022 14.036 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.225 2.084 11.788 1.00 0.00 H new ATOM 1539 N THR B 44 0.764 8.431 14.080 1.00 0.00 N ATOM 1540 CA THR B 44 -0.231 8.370 15.117 1.00 0.00 C ATOM 1541 C THR B 44 -0.496 6.892 15.392 1.00 0.00 C ATOM 1542 O THR B 44 -0.467 6.066 14.477 1.00 0.00 O ATOM 1543 CB THR B 44 -1.507 9.128 14.720 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.168 10.137 13.778 1.00 0.00 O ATOM 1545 CG2 THR B 44 -2.111 9.795 15.959 1.00 0.00 C ATOM 0 H THR B 44 0.699 7.677 13.396 1.00 0.00 H new ATOM 0 HA THR B 44 0.123 8.861 16.024 1.00 0.00 H new ATOM 0 HB THR B 44 -2.227 8.432 14.288 1.00 0.00 H new ATOM 0 HG1 THR B 44 -0.931 9.720 12.923 1.00 0.00 H new ATOM 0 HG21 THR B 44 -3.016 10.333 15.678 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.357 9.033 16.699 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.391 10.494 16.383 1.00 0.00 H new ATOM 1553 N TYR B 45 -0.758 6.572 16.642 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.037 5.187 17.031 1.00 0.00 C ATOM 1555 C TYR B 45 -2.268 5.141 17.908 1.00 0.00 C ATOM 1556 O TYR B 45 -2.390 5.913 18.856 1.00 0.00 O ATOM 1557 CB TYR B 45 0.185 4.583 17.744 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.199 3.333 18.522 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.100 2.393 17.986 1.00 0.00 C ATOM 1560 CD2 TYR B 45 0.326 3.127 19.814 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.469 1.257 18.727 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -0.041 1.985 20.553 1.00 0.00 C ATOM 1563 CZ TYR B 45 -0.941 1.054 20.011 1.00 0.00 C ATOM 1564 OH TYR B 45 -1.294 -0.068 20.732 1.00 0.00 O ATOM 0 H TYR B 45 -0.786 7.242 17.410 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.232 4.589 16.141 1.00 0.00 H new ATOM 0 HB2 TYR B 45 0.953 4.337 17.011 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.615 5.320 18.422 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.510 2.546 16.999 1.00 0.00 H new ATOM 0 HD2 TYR B 45 1.011 3.846 20.238 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.159 0.540 18.308 1.00 0.00 H new ATOM 0 HE2 TYR B 45 0.371 1.826 21.539 1.00 0.00 H new ATOM 0 HH TYR B 45 -1.487 -0.805 20.116 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.129 4.164 17.657 1.00 0.00 N ATOM 1575 CA ASP B 46 -4.298 3.936 18.488 1.00 0.00 C ATOM 1576 C ASP B 46 -4.345 2.445 18.859 1.00 0.00 C ATOM 1577 O ASP B 46 -4.446 1.582 17.984 1.00 0.00 O ATOM 1578 CB ASP B 46 -5.574 4.415 17.765 1.00 0.00 C ATOM 1579 CG ASP B 46 -6.631 3.327 17.781 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -6.829 2.708 18.858 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.185 2.992 16.706 1.00 0.00 O ATOM 0 H ASP B 46 -3.036 3.513 16.877 1.00 0.00 H new ATOM 0 HA ASP B 46 -4.237 4.515 19.409 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -5.959 5.312 18.250 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -5.337 4.685 16.736 1.00 0.00 H new ATOM 1586 N ASP B 47 -4.282 2.159 20.139 1.00 0.00 N ATOM 1587 CA ASP B 47 -4.327 0.777 20.604 1.00 0.00 C ATOM 1588 C ASP B 47 -5.767 0.276 20.775 1.00 0.00 C ATOM 1589 O ASP B 47 -6.158 -0.757 20.240 1.00 0.00 O ATOM 1590 CB ASP B 47 -3.631 0.746 21.961 1.00 0.00 C ATOM 1591 CG ASP B 47 -3.339 -0.675 22.441 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -3.793 -1.668 21.828 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -2.688 -0.789 23.506 1.00 0.00 O ATOM 0 H ASP B 47 -4.200 2.855 20.880 1.00 0.00 H new ATOM 0 HA ASP B 47 -3.842 0.132 19.871 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -2.696 1.303 21.898 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -4.255 1.253 22.697 1.00 0.00 H new ATOM 1598 N ALA B 48 -6.503 0.994 21.600 1.00 0.00 N ATOM 1599 CA ALA B 48 -7.878 0.629 21.987 1.00 0.00 C ATOM 1600 C ALA B 48 -8.929 0.901 20.928 1.00 0.00 C ATOM 1601 O ALA B 48 -10.100 0.579 21.118 1.00 0.00 O ATOM 1602 CB ALA B 48 -8.254 1.405 23.243 1.00 0.00 C ATOM 0 H ALA B 48 -6.173 1.857 22.032 1.00 0.00 H new ATOM 0 HA ALA B 48 -7.870 -0.450 22.144 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.270 1.145 23.541 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -7.564 1.152 24.048 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.198 2.475 23.040 1.00 0.00 H new ATOM 1608 N THR B 49 -8.520 1.468 19.822 1.00 0.00 N ATOM 1609 CA THR B 49 -9.437 1.755 18.724 1.00 0.00 C ATOM 1610 C THR B 49 -8.831 1.224 17.438 1.00 0.00 C ATOM 1611 O THR B 49 -9.242 1.593 16.340 1.00 0.00 O ATOM 1612 CB THR B 49 -9.766 3.268 18.630 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.159 3.833 17.480 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.283 4.016 19.881 1.00 0.00 C ATOM 0 H THR B 49 -7.554 1.745 19.648 1.00 0.00 H new ATOM 0 HA THR B 49 -10.388 1.255 18.905 1.00 0.00 H new ATOM 0 HB THR B 49 -10.849 3.370 18.557 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.375 4.788 17.432 1.00 0.00 H new ATOM 0 HG21 THR B 49 -9.526 5.074 19.789 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.775 3.606 20.763 1.00 0.00 H new ATOM 0 HG23 THR B 49 -8.204 3.899 19.981 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.827 0.345 17.600 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.121 -0.272 16.478 1.00 0.00 C ATOM 1624 C LYS B 50 -7.036 0.682 15.313 1.00 0.00 C ATOM 1625 O LYS B 50 -7.831 0.619 14.375 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.779 -1.604 16.042 1.00 0.00 C ATOM 1627 CG LYS B 50 -9.293 -1.641 16.331 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.568 -1.933 17.823 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.911 -2.661 17.969 1.00 0.00 C ATOM 1630 NZ LYS B 50 -11.938 -1.981 17.129 1.00 0.00 N ATOM 0 H LYS B 50 -7.487 0.046 18.514 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.111 -0.502 16.818 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.613 -1.755 14.975 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -7.294 -2.431 16.560 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.742 -0.687 16.055 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -9.765 -2.406 15.715 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -8.766 -2.543 18.238 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -9.585 -1.001 18.389 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -10.808 -3.702 17.664 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -11.224 -2.664 19.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -12.884 -2.167 17.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -11.761 -0.956 17.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -11.887 -2.345 16.156 1.00 0.00 H new ATOM 1644 N THR B 51 -6.032 1.534 15.359 1.00 0.00 N ATOM 1645 CA THR B 51 -5.828 2.465 14.248 1.00 0.00 C ATOM 1646 C THR B 51 -4.418 3.053 14.182 1.00 0.00 C ATOM 1647 O THR B 51 -3.701 3.150 15.177 1.00 0.00 O ATOM 1648 CB THR B 51 -6.905 3.561 14.239 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.150 2.989 14.614 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.049 4.156 12.835 1.00 0.00 C ATOM 0 H THR B 51 -5.360 1.608 16.123 1.00 0.00 H new ATOM 0 HA THR B 51 -5.933 1.873 13.339 1.00 0.00 H new ATOM 0 HB THR B 51 -6.614 4.346 14.937 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.214 2.957 15.591 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.816 4.931 12.845 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.099 4.590 12.524 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.336 3.371 12.135 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.095 3.504 12.981 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.840 4.179 12.668 1.00 0.00 C ATOM 1660 C PHE B 52 -3.189 5.366 11.801 1.00 0.00 C ATOM 1661 O PHE B 52 -4.131 5.287 11.011 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.883 3.300 11.876 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.266 2.244 12.728 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -0.143 2.568 13.514 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -1.794 0.940 12.767 1.00 0.00 C ATOM 1666 CE1 PHE B 52 0.465 1.588 14.319 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -1.183 -0.040 13.566 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.049 0.281 14.331 1.00 0.00 C ATOM 0 H PHE B 52 -4.712 3.410 12.174 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.349 4.449 13.603 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.418 2.833 11.049 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.099 3.918 11.439 1.00 0.00 H new ATOM 0 HD1 PHE B 52 0.253 3.573 13.498 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.668 0.693 12.183 1.00 0.00 H new ATOM 0 HE1 PHE B 52 1.323 1.839 14.925 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.585 -1.042 13.593 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.429 -0.480 14.930 1.00 0.00 H new ATOM 1678 N THR B 53 -2.408 6.434 11.883 1.00 0.00 N ATOM 1679 CA THR B 53 -2.666 7.585 11.018 1.00 0.00 C ATOM 1680 C THR B 53 -1.371 8.133 10.444 1.00 0.00 C ATOM 1681 O THR B 53 -0.554 8.732 11.141 1.00 0.00 O ATOM 1682 CB THR B 53 -3.411 8.687 11.789 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.227 8.092 12.785 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.291 9.488 10.828 1.00 0.00 C ATOM 0 H THR B 53 -1.615 6.532 12.516 1.00 0.00 H new ATOM 0 HA THR B 53 -3.294 7.250 10.193 1.00 0.00 H new ATOM 0 HB THR B 53 -2.686 9.354 12.255 1.00 0.00 H new ATOM 0 HG1 THR B 53 -4.702 8.792 13.280 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.817 10.267 11.380 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.668 9.945 10.059 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.017 8.823 10.359 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.224 7.920 9.152 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.053 8.389 8.425 1.00 0.00 C ATOM 1694 C VAL B 54 -0.425 9.697 7.732 1.00 0.00 C ATOM 1695 O VAL B 54 -1.453 9.772 7.054 1.00 0.00 O ATOM 1696 CB VAL B 54 0.369 7.345 7.405 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.471 7.903 6.504 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.874 6.093 8.127 1.00 0.00 C ATOM 0 H VAL B 54 -1.904 7.422 8.577 1.00 0.00 H new ATOM 0 HA VAL B 54 0.783 8.554 9.105 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.491 7.084 6.789 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.765 7.146 5.777 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.101 8.784 5.980 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.334 8.177 7.111 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.176 5.346 7.393 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.728 6.353 8.752 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.078 5.687 8.751 1.00 0.00 H new ATOM 1708 N THR B 55 0.446 10.702 7.841 1.00 0.00 N ATOM 1709 CA THR B 55 0.182 11.975 7.148 1.00 0.00 C ATOM 1710 C THR B 55 1.429 12.633 6.561 1.00 0.00 C ATOM 1711 O THR B 55 2.184 13.298 7.265 1.00 0.00 O ATOM 1712 CB THR B 55 -0.539 12.930 8.113 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.839 12.419 8.384 1.00 0.00 O ATOM 1714 CG2 THR B 55 -0.667 14.334 7.498 1.00 0.00 C ATOM 0 H THR B 55 1.311 10.670 8.380 1.00 0.00 H new ATOM 0 HA THR B 55 -0.451 11.749 6.290 1.00 0.00 H new ATOM 0 HB THR B 55 0.041 13.004 9.033 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.305 13.022 9.000 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.180 14.993 8.199 1.00 0.00 H new ATOM 0 HG22 THR B 55 0.326 14.731 7.288 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.238 14.275 6.571 1.00 0.00 H new ATOM 1722 N GLU B 56 1.600 12.414 5.246 1.00 0.00 N ATOM 1723 CA GLU B 56 2.749 12.946 4.486 1.00 0.00 C ATOM 1724 C GLU B 56 3.344 14.167 5.193 1.00 0.00 C ATOM 1725 O GLU B 56 4.548 14.188 5.392 1.00 0.00 O ATOM 1726 CB GLU B 56 2.338 13.329 3.051 1.00 0.00 C ATOM 1727 CG GLU B 56 3.564 13.343 2.117 1.00 0.00 C ATOM 1728 CD GLU B 56 4.723 14.108 2.748 1.00 0.00 C ATOM 1729 OE1 GLU B 56 4.556 15.308 3.055 1.00 0.00 O ATOM 1730 OE2 GLU B 56 5.800 13.500 2.942 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.579 15.050 5.543 1.00 0.00 O ATOM 0 H GLU B 56 0.951 11.867 4.681 1.00 0.00 H new ATOM 0 HA GLU B 56 3.502 12.159 4.434 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.599 12.620 2.678 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.865 14.311 3.053 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.873 12.320 1.901 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.296 13.802 1.166 1.00 0.00 H new TER 1738 GLU B 56