USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 833 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 44 THR OG1 : rot 53:sc= 1.77 USER MOD Set 1.2: B 53 THR OG1 : rot 102:sc= 1.92 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -154:sc= -1.16 (180deg=0.254) USER MOD Set 2.2: B 1 MET CE :methyl -107:sc= -1.21 (180deg=-0.113) USER MOD Set 3.1: A 44 THR OG1 : rot 61:sc= 1.7 USER MOD Set 3.2: A 53 THR OG1 : rot 105:sc= 1.85 USER MOD Single : A 2 GLN :FLIP amide:sc= -3.55! C(o=-6.1!,f=-3.5!) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 4 LYS NZ :NH3+ 136:sc= -2.52! (180deg=-5.3!) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.54 F(o=-4.5!,f=-1.5) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -130:sc= -2.39! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -5.36! USER MOD Single : A 17 THR OG1 : rot 26:sc= 0.284 USER MOD Single : A 18 THR OG1 : rot 33:sc= 0.778 USER MOD Single : A 25 THR OG1 : rot -36:sc= -1.84! USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0438 (180deg=-0.293) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.71! F(o=-3.3,f=-1.7!) USER MOD Single : A 35 ASN : amide:sc= -5.85! C(o=-5.9!,f=-6.2!) USER MOD Single : A 37 ASN :FLIP amide:sc= -4.31 F(o=-4.9!,f=-4.3) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0828 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 63:sc= 0.9 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 154:sc= 1.29 (180deg=1.19) USER MOD Single : B 2 GLN :FLIP amide:sc= -3.49! C(o=-5.9!,f=-3.5!) USER MOD Single : B 3 TYR OH : rot -93:sc= -1.19 USER MOD Single : B 4 LYS NZ :NH3+ 137:sc= -2.55! (180deg=-5.39!) USER MOD Single : B 8 ASN :FLIP amide:sc= -1.5 F(o=-4.5!,f=-1.5) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -130:sc= -2.4! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 165:sc= -5.43! USER MOD Single : B 17 THR OG1 : rot 27:sc= 0.342 USER MOD Single : B 18 THR OG1 : rot 33:sc= 0.778 USER MOD Single : B 25 THR OG1 : rot -28:sc= -1.73! USER MOD Single : B 28 LYS NZ :NH3+ -166:sc= -0.0441 (180deg=-0.281) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.78! F(o=-3.4,f=-1.8!) USER MOD Single : B 35 ASN : amide:sc= -5.78! C(o=-5.8!,f=-6.2!) USER MOD Single : B 37 ASN :FLIP amide:sc= -4.26 F(o=-5!,f=-4.3) USER MOD Single : B 45 TYR OH : rot 180:sc= -0.0809 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ 173:sc=-0.00876 (180deg=-0.0908) USER MOD Single : B 51 THR OG1 : rot 64:sc= 0.896 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.510 -15.735 0.943 1.00 0.00 N ATOM 21 CA GLN A 2 7.560 -14.280 1.013 1.00 0.00 C ATOM 22 C GLN A 2 7.312 -13.682 -0.370 1.00 0.00 C ATOM 23 O GLN A 2 7.952 -14.069 -1.347 1.00 0.00 O ATOM 24 CB GLN A 2 8.920 -13.836 1.565 1.00 0.00 C ATOM 25 CG GLN A 2 9.098 -12.328 1.665 1.00 0.00 C ATOM 26 CD GLN A 2 9.306 -11.669 0.317 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.440 -10.723 -0.017 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 10.238 -12.003 -0.414 1.00 0.00 N flip ATOM 0 HA GLN A 2 6.780 -13.921 1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.056 -14.272 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.706 -14.241 0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.220 -11.894 2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.952 -12.110 2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.882 -12.737 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.367 -11.546 -1.317 1.00 0.00 H new ATOM 37 N TYR A 3 6.377 -12.738 -0.449 1.00 0.00 N ATOM 38 CA TYR A 3 6.049 -12.098 -1.719 1.00 0.00 C ATOM 39 C TYR A 3 6.165 -10.585 -1.607 1.00 0.00 C ATOM 40 O TYR A 3 5.819 -10.000 -0.580 1.00 0.00 O ATOM 41 CB TYR A 3 4.637 -12.482 -2.160 1.00 0.00 C ATOM 42 CG TYR A 3 4.459 -13.965 -2.389 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.246 -14.830 -1.323 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.505 -14.499 -3.670 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.085 -16.187 -1.529 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.344 -15.854 -3.884 1.00 0.00 C ATOM 47 CZ TYR A 3 4.135 -16.695 -2.810 1.00 0.00 C ATOM 48 OH TYR A 3 3.975 -18.046 -3.019 1.00 0.00 O ATOM 0 H TYR A 3 5.836 -12.401 0.347 1.00 0.00 H new ATOM 0 HA TYR A 3 6.761 -12.446 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.926 -12.152 -1.403 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.394 -11.949 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.206 -14.436 -0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.669 -13.844 -4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.921 -16.847 -0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.381 -16.253 -4.887 1.00 0.00 H new ATOM 0 HH TYR A 3 4.036 -18.238 -3.978 1.00 0.00 H new ATOM 58 N LYS A 4 6.660 -9.953 -2.665 1.00 0.00 N ATOM 59 CA LYS A 4 6.824 -8.505 -2.674 1.00 0.00 C ATOM 60 C LYS A 4 5.761 -7.842 -3.539 1.00 0.00 C ATOM 61 O LYS A 4 5.751 -8.002 -4.756 1.00 0.00 O ATOM 62 CB LYS A 4 8.220 -8.128 -3.173 1.00 0.00 C ATOM 63 CG LYS A 4 8.465 -6.627 -3.213 1.00 0.00 C ATOM 64 CD LYS A 4 9.836 -6.281 -3.784 1.00 0.00 C ATOM 65 CE LYS A 4 10.970 -6.718 -2.866 1.00 0.00 C ATOM 66 NZ LYS A 4 11.137 -8.198 -2.831 1.00 0.00 N ATOM 0 H LYS A 4 6.953 -10.418 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 4 6.707 -8.146 -1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.966 -8.593 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.363 -8.538 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.692 -6.151 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.380 -6.220 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.954 -6.759 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.898 -5.205 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.901 -6.258 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.778 -6.353 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.148 -8.435 -2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.746 -8.571 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.633 -8.623 -3.635 1.00 0.00 H new ATOM 80 N VAL A 5 4.870 -7.094 -2.900 1.00 0.00 N ATOM 81 CA VAL A 5 3.810 -6.400 -3.614 1.00 0.00 C ATOM 82 C VAL A 5 4.221 -4.962 -3.913 1.00 0.00 C ATOM 83 O VAL A 5 4.738 -4.257 -3.050 1.00 0.00 O ATOM 84 CB VAL A 5 2.487 -6.414 -2.819 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.392 -5.672 -3.574 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.061 -7.844 -2.526 1.00 0.00 C ATOM 0 H VAL A 5 4.862 -6.954 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 5 3.646 -6.929 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 5 2.651 -5.900 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.470 -5.696 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.695 -4.637 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.226 -6.152 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.127 -7.838 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.917 -8.380 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.833 -8.341 -1.939 1.00 0.00 H new ATOM 96 N ILE A 6 4.001 -4.545 -5.150 1.00 0.00 N ATOM 97 CA ILE A 6 4.353 -3.204 -5.591 1.00 0.00 C ATOM 98 C ILE A 6 3.108 -2.346 -5.792 1.00 0.00 C ATOM 99 O ILE A 6 2.201 -2.713 -6.538 1.00 0.00 O ATOM 100 CB ILE A 6 5.161 -3.262 -6.905 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.507 -3.946 -6.666 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.358 -1.872 -7.489 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.349 -4.077 -7.917 1.00 0.00 C ATOM 0 H ILE A 6 3.575 -5.124 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 6 4.965 -2.750 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 6 4.595 -3.848 -7.630 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.065 -3.381 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.332 -4.938 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.930 -1.944 -8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.386 -1.424 -7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.899 -1.251 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.289 -4.571 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.810 -4.668 -8.658 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.555 -3.086 -8.323 1.00 0.00 H new ATOM 115 N LEU A 7 3.067 -1.201 -5.119 1.00 0.00 N ATOM 116 CA LEU A 7 1.930 -0.297 -5.224 1.00 0.00 C ATOM 117 C LEU A 7 2.299 0.920 -6.074 1.00 0.00 C ATOM 118 O LEU A 7 2.702 1.961 -5.554 1.00 0.00 O ATOM 119 CB LEU A 7 1.476 0.128 -3.825 1.00 0.00 C ATOM 120 CG LEU A 7 1.424 -1.002 -2.800 1.00 0.00 C ATOM 121 CD1 LEU A 7 0.946 -0.474 -1.455 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.522 -2.123 -3.295 1.00 0.00 C ATOM 0 H LEU A 7 3.807 -0.878 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 7 1.104 -0.812 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.151 0.902 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.486 0.578 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 7 2.428 -1.405 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.914 -1.291 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.632 0.295 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.051 -0.048 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.494 -2.922 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.486 -1.737 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.910 -2.514 -4.236 1.00 0.00 H new ATOM 134 N ASN A 8 2.172 0.764 -7.391 1.00 0.00 N ATOM 135 CA ASN A 8 2.504 1.832 -8.336 1.00 0.00 C ATOM 136 C ASN A 8 1.290 2.673 -8.710 1.00 0.00 C ATOM 137 O ASN A 8 0.415 2.225 -9.442 1.00 0.00 O ATOM 138 CB ASN A 8 3.127 1.247 -9.608 1.00 0.00 C ATOM 139 CG ASN A 8 4.521 0.674 -9.400 1.00 0.00 C ATOM 140 OD1 ASN A 8 5.064 0.810 -8.195 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 5.112 0.119 -10.327 1.00 0.00 N flip ATOM 0 H ASN A 8 1.840 -0.095 -7.830 1.00 0.00 H new ATOM 0 HA ASN A 8 3.222 2.482 -7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.475 0.463 -9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.174 2.025 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.663 0.033 -11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.050 -0.255 -10.183 1.00 0.00 H new ATOM 148 N GLY A 9 1.257 3.908 -8.223 1.00 0.00 N ATOM 149 CA GLY A 9 0.155 4.798 -8.540 1.00 0.00 C ATOM 150 C GLY A 9 0.611 6.010 -9.323 1.00 0.00 C ATOM 151 O GLY A 9 1.740 6.053 -9.811 1.00 0.00 O ATOM 0 H GLY A 9 1.972 4.309 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.595 4.256 -9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.326 5.123 -7.617 1.00 0.00 H new ATOM 155 N LYS A 10 -0.263 6.999 -9.437 1.00 0.00 N ATOM 156 CA LYS A 10 0.066 8.219 -10.158 1.00 0.00 C ATOM 157 C LYS A 10 0.854 9.165 -9.257 1.00 0.00 C ATOM 158 O LYS A 10 1.948 9.607 -9.603 1.00 0.00 O ATOM 159 CB LYS A 10 -1.211 8.911 -10.647 1.00 0.00 C ATOM 160 CG LYS A 10 -2.136 8.012 -11.457 1.00 0.00 C ATOM 161 CD LYS A 10 -1.734 7.936 -12.924 1.00 0.00 C ATOM 162 CE LYS A 10 -0.349 7.341 -13.110 1.00 0.00 C ATOM 163 NZ LYS A 10 -0.045 7.077 -14.542 1.00 0.00 N ATOM 0 H LYS A 10 -1.203 6.981 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 10 0.677 7.957 -11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.757 9.293 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.934 9.772 -11.256 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.130 7.010 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.158 8.385 -11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.462 7.334 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.759 8.936 -13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.397 8.023 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.275 6.411 -12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.909 6.671 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.741 6.407 -14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.090 7.968 -15.076 1.00 0.00 H new ATOM 177 N THR A 11 0.277 9.471 -8.099 1.00 0.00 N ATOM 178 CA THR A 11 0.896 10.362 -7.135 1.00 0.00 C ATOM 179 C THR A 11 1.514 9.585 -5.981 1.00 0.00 C ATOM 180 O THR A 11 2.094 10.172 -5.069 1.00 0.00 O ATOM 181 CB THR A 11 -0.153 11.327 -6.594 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.337 10.628 -6.254 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.526 12.425 -7.566 1.00 0.00 C ATOM 0 H THR A 11 -0.630 9.107 -7.807 1.00 0.00 H new ATOM 0 HA THR A 11 1.691 10.913 -7.638 1.00 0.00 H new ATOM 0 HB THR A 11 0.303 11.790 -5.719 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.109 11.076 -6.658 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.277 13.073 -7.113 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.360 13.012 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.930 11.983 -8.477 1.00 0.00 H new ATOM 191 N LEU A 12 1.382 8.262 -6.016 1.00 0.00 N ATOM 192 CA LEU A 12 1.925 7.427 -4.959 1.00 0.00 C ATOM 193 C LEU A 12 2.614 6.191 -5.523 1.00 0.00 C ATOM 194 O LEU A 12 2.101 5.535 -6.429 1.00 0.00 O ATOM 195 CB LEU A 12 0.818 7.022 -3.983 1.00 0.00 C ATOM 196 CG LEU A 12 1.272 6.138 -2.831 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.477 6.758 -2.150 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.140 5.923 -1.838 1.00 0.00 C ATOM 0 H LEU A 12 0.907 7.752 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 12 2.675 8.010 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.367 7.925 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.038 6.500 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 12 1.557 5.163 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.797 6.120 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.290 6.858 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.211 7.742 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.487 5.288 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.181 6.885 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.699 5.442 -2.341 1.00 0.00 H new ATOM 210 N LYS A 13 3.778 5.880 -4.966 1.00 0.00 N ATOM 211 CA LYS A 13 4.555 4.719 -5.388 1.00 0.00 C ATOM 212 C LYS A 13 5.272 4.104 -4.192 1.00 0.00 C ATOM 213 O LYS A 13 5.693 4.820 -3.287 1.00 0.00 O ATOM 214 CB LYS A 13 5.567 5.120 -6.464 1.00 0.00 C ATOM 215 CG LYS A 13 4.927 5.723 -7.704 1.00 0.00 C ATOM 216 CD LYS A 13 5.969 6.121 -8.735 1.00 0.00 C ATOM 217 CE LYS A 13 5.324 6.730 -9.971 1.00 0.00 C ATOM 218 NZ LYS A 13 6.337 7.127 -10.988 1.00 0.00 N ATOM 0 H LYS A 13 4.208 6.420 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 13 3.876 3.978 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.269 5.839 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.145 4.242 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.236 5.004 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.341 6.598 -7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.663 6.837 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.552 5.246 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.631 6.012 -10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.738 7.603 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.857 7.537 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.983 7.831 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.879 6.290 -11.283 1.00 0.00 H new ATOM 232 N GLY A 14 5.408 2.781 -4.183 1.00 0.00 N ATOM 233 CA GLY A 14 6.076 2.129 -3.069 1.00 0.00 C ATOM 234 C GLY A 14 6.250 0.636 -3.259 1.00 0.00 C ATOM 235 O GLY A 14 5.894 0.082 -4.299 1.00 0.00 O ATOM 0 H GLY A 14 5.073 2.156 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.055 2.586 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.504 2.307 -2.158 1.00 0.00 H new ATOM 239 N GLU A 15 6.795 -0.014 -2.235 1.00 0.00 N ATOM 240 CA GLU A 15 7.019 -1.454 -2.259 1.00 0.00 C ATOM 241 C GLU A 15 6.609 -2.075 -0.928 1.00 0.00 C ATOM 242 O GLU A 15 6.934 -1.551 0.138 1.00 0.00 O ATOM 243 CB GLU A 15 8.489 -1.775 -2.551 1.00 0.00 C ATOM 244 CG GLU A 15 8.975 -1.293 -3.911 1.00 0.00 C ATOM 245 CD GLU A 15 9.057 0.219 -4.006 1.00 0.00 C ATOM 246 OE1 GLU A 15 9.774 0.827 -3.184 1.00 0.00 O ATOM 247 OE2 GLU A 15 8.409 0.793 -4.907 1.00 0.00 O ATOM 0 H GLU A 15 7.092 0.440 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 15 6.407 -1.877 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.109 -1.324 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.633 -2.854 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.958 -1.719 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.303 -1.665 -4.684 1.00 0.00 H new ATOM 254 N THR A 16 5.895 -3.189 -0.999 1.00 0.00 N ATOM 255 CA THR A 16 5.432 -3.883 0.196 1.00 0.00 C ATOM 256 C THR A 16 5.658 -5.390 0.078 1.00 0.00 C ATOM 257 O THR A 16 5.967 -5.893 -1.000 1.00 0.00 O ATOM 258 CB THR A 16 3.957 -3.562 0.453 1.00 0.00 C ATOM 259 OG1 THR A 16 3.374 -4.541 1.275 1.00 0.00 O ATOM 260 CG2 THR A 16 3.124 -3.458 -0.807 1.00 0.00 C ATOM 0 H THR A 16 5.622 -3.634 -1.875 1.00 0.00 H new ATOM 0 HA THR A 16 6.014 -3.532 1.048 1.00 0.00 H new ATOM 0 HB THR A 16 3.959 -2.585 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.432 -4.319 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.092 -3.229 -0.543 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.521 -2.665 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.159 -4.405 -1.345 1.00 0.00 H new ATOM 268 N THR A 17 5.528 -6.106 1.198 1.00 0.00 N ATOM 269 CA THR A 17 5.748 -7.552 1.202 1.00 0.00 C ATOM 270 C THR A 17 4.797 -8.296 2.144 1.00 0.00 C ATOM 271 O THR A 17 4.763 -8.036 3.347 1.00 0.00 O ATOM 272 CB THR A 17 7.194 -7.852 1.594 1.00 0.00 C ATOM 273 OG1 THR A 17 7.495 -7.297 2.861 1.00 0.00 O ATOM 274 CG2 THR A 17 8.205 -7.317 0.604 1.00 0.00 C ATOM 0 H THR A 17 5.274 -5.712 2.104 1.00 0.00 H new ATOM 0 HA THR A 17 5.545 -7.908 0.192 1.00 0.00 H new ATOM 0 HB THR A 17 7.270 -8.939 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.673 -7.220 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.211 -7.564 0.942 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.030 -7.766 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.103 -6.234 0.529 1.00 0.00 H new ATOM 282 N THR A 18 4.049 -9.245 1.583 1.00 0.00 N ATOM 283 CA THR A 18 3.115 -10.065 2.353 1.00 0.00 C ATOM 284 C THR A 18 3.622 -11.504 2.403 1.00 0.00 C ATOM 285 O THR A 18 4.225 -11.988 1.445 1.00 0.00 O ATOM 286 CB THR A 18 1.722 -10.032 1.715 1.00 0.00 C ATOM 287 OG1 THR A 18 0.786 -10.707 2.534 1.00 0.00 O ATOM 288 CG2 THR A 18 1.672 -10.668 0.341 1.00 0.00 C ATOM 0 H THR A 18 4.073 -9.466 0.588 1.00 0.00 H new ATOM 0 HA THR A 18 3.046 -9.665 3.364 1.00 0.00 H new ATOM 0 HB THR A 18 1.475 -8.975 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.031 -10.590 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.656 -10.609 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.350 -10.140 -0.329 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.973 -11.713 0.413 1.00 0.00 H new ATOM 296 N GLU A 19 3.378 -12.187 3.514 1.00 0.00 N ATOM 297 CA GLU A 19 3.815 -13.572 3.665 1.00 0.00 C ATOM 298 C GLU A 19 2.619 -14.515 3.600 1.00 0.00 C ATOM 299 O GLU A 19 1.723 -14.448 4.440 1.00 0.00 O ATOM 300 CB GLU A 19 4.555 -13.753 4.991 1.00 0.00 C ATOM 301 CG GLU A 19 5.052 -15.171 5.220 1.00 0.00 C ATOM 302 CD GLU A 19 5.784 -15.329 6.539 1.00 0.00 C ATOM 303 OE1 GLU A 19 5.902 -14.328 7.277 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.237 -16.455 6.834 1.00 0.00 O ATOM 0 H GLU A 19 2.882 -11.808 4.321 1.00 0.00 H new ATOM 0 HA GLU A 19 4.495 -13.812 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.404 -13.070 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.892 -13.472 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.205 -15.857 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.717 -15.455 4.404 1.00 0.00 H new ATOM 311 N ALA A 20 2.599 -15.386 2.593 1.00 0.00 N ATOM 312 CA ALA A 20 1.496 -16.324 2.430 1.00 0.00 C ATOM 313 C ALA A 20 1.963 -17.653 1.840 1.00 0.00 C ATOM 314 O ALA A 20 2.966 -17.718 1.131 1.00 0.00 O ATOM 315 CB ALA A 20 0.415 -15.711 1.555 1.00 0.00 C ATOM 0 H ALA A 20 3.329 -15.460 1.884 1.00 0.00 H new ATOM 0 HA ALA A 20 1.087 -16.530 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.405 -16.420 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.043 -14.799 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.831 -15.474 0.576 1.00 0.00 H new ATOM 321 N VAL A 21 1.230 -18.712 2.169 1.00 0.00 N ATOM 322 CA VAL A 21 1.556 -20.060 1.710 1.00 0.00 C ATOM 323 C VAL A 21 1.777 -20.111 0.197 1.00 0.00 C ATOM 324 O VAL A 21 2.492 -20.980 -0.302 1.00 0.00 O ATOM 325 CB VAL A 21 0.436 -21.051 2.078 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.845 -22.477 1.743 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.070 -20.917 3.548 1.00 0.00 C ATOM 0 H VAL A 21 0.398 -18.662 2.757 1.00 0.00 H new ATOM 0 HA VAL A 21 2.482 -20.343 2.211 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.447 -20.810 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.039 -23.159 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.047 -22.556 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.743 -22.739 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.723 -21.624 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.946 -21.128 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.276 -19.902 3.746 1.00 0.00 H new ATOM 337 N ASP A 22 1.174 -19.173 -0.526 1.00 0.00 N ATOM 338 CA ASP A 22 1.332 -19.123 -1.977 1.00 0.00 C ATOM 339 C ASP A 22 1.053 -17.725 -2.517 1.00 0.00 C ATOM 340 O ASP A 22 0.659 -16.828 -1.772 1.00 0.00 O ATOM 341 CB ASP A 22 0.419 -20.151 -2.652 1.00 0.00 C ATOM 342 CG ASP A 22 -1.051 -19.847 -2.460 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.515 -18.815 -2.986 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.739 -20.640 -1.784 1.00 0.00 O ATOM 0 H ASP A 22 0.577 -18.443 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 22 2.368 -19.370 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.642 -20.183 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.636 -21.141 -2.251 1.00 0.00 H new ATOM 349 N ALA A 23 1.270 -17.543 -3.814 1.00 0.00 N ATOM 350 CA ALA A 23 1.052 -16.249 -4.448 1.00 0.00 C ATOM 351 C ALA A 23 -0.394 -15.797 -4.311 1.00 0.00 C ATOM 352 O ALA A 23 -0.664 -14.628 -4.034 1.00 0.00 O ATOM 353 CB ALA A 23 1.463 -16.299 -5.911 1.00 0.00 C ATOM 0 H ALA A 23 1.596 -18.274 -4.446 1.00 0.00 H new ATOM 0 HA ALA A 23 1.675 -15.517 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.294 -15.325 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.520 -16.556 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.870 -17.052 -6.430 1.00 0.00 H new ATOM 359 N ALA A 24 -1.324 -16.725 -4.494 1.00 0.00 N ATOM 360 CA ALA A 24 -2.738 -16.402 -4.372 1.00 0.00 C ATOM 361 C ALA A 24 -3.054 -15.972 -2.951 1.00 0.00 C ATOM 362 O ALA A 24 -3.585 -14.884 -2.728 1.00 0.00 O ATOM 363 CB ALA A 24 -3.600 -17.588 -4.781 1.00 0.00 C ATOM 0 H ALA A 24 -1.127 -17.699 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.965 -15.575 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.653 -17.324 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.388 -17.852 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.377 -18.439 -4.137 1.00 0.00 H new ATOM 369 N THR A 25 -2.697 -16.814 -1.983 1.00 0.00 N ATOM 370 CA THR A 25 -2.917 -16.493 -0.586 1.00 0.00 C ATOM 371 C THR A 25 -2.374 -15.103 -0.301 1.00 0.00 C ATOM 372 O THR A 25 -3.039 -14.276 0.320 1.00 0.00 O ATOM 373 CB THR A 25 -2.227 -17.528 0.303 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.849 -17.607 0.003 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.810 -18.919 0.166 1.00 0.00 C ATOM 0 H THR A 25 -2.256 -17.719 -2.146 1.00 0.00 H new ATOM 0 HA THR A 25 -3.985 -16.511 -0.370 1.00 0.00 H new ATOM 0 HB THR A 25 -2.388 -17.184 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.716 -17.483 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.275 -19.604 0.824 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.864 -18.900 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.711 -19.255 -0.866 1.00 0.00 H new ATOM 383 N ALA A 26 -1.167 -14.845 -0.798 1.00 0.00 N ATOM 384 CA ALA A 26 -0.545 -13.544 -0.631 1.00 0.00 C ATOM 385 C ALA A 26 -1.412 -12.474 -1.278 1.00 0.00 C ATOM 386 O ALA A 26 -1.724 -11.456 -0.660 1.00 0.00 O ATOM 387 CB ALA A 26 0.852 -13.541 -1.234 1.00 0.00 C ATOM 0 H ALA A 26 -0.606 -15.520 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.454 -13.327 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.304 -12.558 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.465 -14.293 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.790 -13.770 -2.298 1.00 0.00 H new ATOM 393 N GLU A 27 -1.806 -12.711 -2.531 1.00 0.00 N ATOM 394 CA GLU A 27 -2.644 -11.767 -3.260 1.00 0.00 C ATOM 395 C GLU A 27 -3.924 -11.472 -2.482 1.00 0.00 C ATOM 396 O GLU A 27 -4.325 -10.316 -2.344 1.00 0.00 O ATOM 397 CB GLU A 27 -2.978 -12.312 -4.649 1.00 0.00 C ATOM 398 CG GLU A 27 -3.547 -11.263 -5.594 1.00 0.00 C ATOM 399 CD GLU A 27 -4.942 -10.820 -5.216 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.853 -11.672 -5.204 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.125 -9.618 -4.940 1.00 0.00 O ATOM 0 H GLU A 27 -1.557 -13.548 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.090 -10.835 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.076 -12.736 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.696 -13.126 -4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.887 -10.396 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.562 -11.665 -6.607 1.00 0.00 H new ATOM 408 N LYS A 28 -4.555 -12.523 -1.960 1.00 0.00 N ATOM 409 CA LYS A 28 -5.778 -12.363 -1.180 1.00 0.00 C ATOM 410 C LYS A 28 -5.481 -11.662 0.135 1.00 0.00 C ATOM 411 O LYS A 28 -6.158 -10.702 0.503 1.00 0.00 O ATOM 412 CB LYS A 28 -6.439 -13.722 -0.934 1.00 0.00 C ATOM 413 CG LYS A 28 -7.251 -14.224 -2.121 1.00 0.00 C ATOM 414 CD LYS A 28 -6.570 -13.909 -3.442 1.00 0.00 C ATOM 415 CE LYS A 28 -7.369 -14.435 -4.622 1.00 0.00 C ATOM 416 NZ LYS A 28 -7.542 -15.913 -4.564 1.00 0.00 N ATOM 0 H LYS A 28 -4.241 -13.488 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.473 -11.744 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.668 -14.455 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.090 -13.649 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.395 -15.301 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.241 -13.767 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.444 -12.831 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.573 -14.349 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.348 -13.956 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.865 -14.165 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.877 -16.260 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.631 -16.360 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.239 -16.152 -3.830 1.00 0.00 H new ATOM 430 N VAL A 29 -4.449 -12.122 0.834 1.00 0.00 N ATOM 431 CA VAL A 29 -4.059 -11.504 2.091 1.00 0.00 C ATOM 432 C VAL A 29 -3.810 -10.019 1.872 1.00 0.00 C ATOM 433 O VAL A 29 -4.234 -9.179 2.667 1.00 0.00 O ATOM 434 CB VAL A 29 -2.797 -12.163 2.679 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.366 -11.460 3.954 1.00 0.00 C ATOM 436 CG2 VAL A 29 -3.041 -13.642 2.942 1.00 0.00 C ATOM 0 H VAL A 29 -3.873 -12.915 0.552 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.872 -11.644 2.804 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.992 -12.069 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.473 -11.942 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.147 -10.414 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.168 -11.518 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.139 -14.091 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.862 -13.755 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.297 -14.140 2.007 1.00 0.00 H new ATOM 446 N VAL A 30 -3.152 -9.705 0.762 1.00 0.00 N ATOM 447 CA VAL A 30 -2.883 -8.324 0.408 1.00 0.00 C ATOM 448 C VAL A 30 -4.208 -7.604 0.175 1.00 0.00 C ATOM 449 O VAL A 30 -4.416 -6.498 0.668 1.00 0.00 O ATOM 450 CB VAL A 30 -2.002 -8.221 -0.854 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.760 -6.765 -1.232 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.680 -8.946 -0.640 1.00 0.00 C ATOM 0 H VAL A 30 -2.797 -10.390 0.095 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.338 -7.857 1.229 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.531 -8.700 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.136 -6.720 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.714 -6.277 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.256 -6.255 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.070 -8.864 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.150 -8.496 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.872 -9.998 -0.427 1.00 0.00 H new ATOM 462 N LYS A 31 -5.116 -8.246 -0.567 1.00 0.00 N ATOM 463 CA LYS A 31 -6.426 -7.656 -0.833 1.00 0.00 C ATOM 464 C LYS A 31 -7.053 -7.151 0.461 1.00 0.00 C ATOM 465 O LYS A 31 -7.546 -6.027 0.532 1.00 0.00 O ATOM 466 CB LYS A 31 -7.366 -8.657 -1.509 1.00 0.00 C ATOM 467 CG LYS A 31 -7.122 -8.800 -2.999 1.00 0.00 C ATOM 468 CD LYS A 31 -8.251 -9.556 -3.679 1.00 0.00 C ATOM 469 CE LYS A 31 -8.148 -9.466 -5.192 1.00 0.00 C ATOM 470 NZ LYS A 31 -9.265 -10.182 -5.871 1.00 0.00 N ATOM 0 H LYS A 31 -4.968 -9.163 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.277 -6.818 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.250 -9.631 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.397 -8.344 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.022 -7.812 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.180 -9.323 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.226 -10.602 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.209 -9.151 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.152 -8.419 -5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.197 -9.888 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.157 -10.096 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.247 -11.187 -5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.172 -9.763 -5.582 1.00 0.00 H new ATOM 484 N GLN A 32 -7.013 -7.997 1.485 1.00 0.00 N ATOM 485 CA GLN A 32 -7.561 -7.641 2.788 1.00 0.00 C ATOM 486 C GLN A 32 -6.856 -6.402 3.325 1.00 0.00 C ATOM 487 O GLN A 32 -7.472 -5.543 3.957 1.00 0.00 O ATOM 488 CB GLN A 32 -7.410 -8.805 3.770 1.00 0.00 C ATOM 489 CG GLN A 32 -8.013 -8.532 5.142 1.00 0.00 C ATOM 490 CD GLN A 32 -9.525 -8.344 5.124 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.168 -8.614 3.989 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.117 -7.974 6.139 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.608 -8.932 1.438 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.623 -7.424 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.883 -9.691 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.351 -9.034 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.767 -9.360 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.550 -7.638 5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.593 -7.776 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.131 -7.866 6.127 1.00 0.00 H new ATOM 501 N PHE A 33 -5.558 -6.315 3.049 1.00 0.00 N ATOM 502 CA PHE A 33 -4.745 -5.182 3.477 1.00 0.00 C ATOM 503 C PHE A 33 -5.409 -3.870 3.050 1.00 0.00 C ATOM 504 O PHE A 33 -5.904 -3.108 3.879 1.00 0.00 O ATOM 505 CB PHE A 33 -3.344 -5.311 2.860 1.00 0.00 C ATOM 506 CG PHE A 33 -2.312 -4.403 3.459 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.870 -4.605 4.755 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.783 -3.351 2.725 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.920 -3.773 5.311 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.831 -2.518 3.280 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.401 -2.730 4.576 1.00 0.00 C ATOM 0 H PHE A 33 -5.043 -7.023 2.526 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.657 -5.178 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.008 -6.342 2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.412 -5.107 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.272 -5.421 5.336 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.118 -3.182 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.583 -3.940 6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.423 -1.702 2.702 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.342 -2.078 5.012 1.00 0.00 H new ATOM 521 N PHE A 34 -5.413 -3.630 1.746 1.00 0.00 N ATOM 522 CA PHE A 34 -6.012 -2.425 1.179 1.00 0.00 C ATOM 523 C PHE A 34 -7.514 -2.395 1.427 1.00 0.00 C ATOM 524 O PHE A 34 -8.084 -1.343 1.705 1.00 0.00 O ATOM 525 CB PHE A 34 -5.690 -2.341 -0.305 1.00 0.00 C ATOM 526 CG PHE A 34 -4.213 -2.380 -0.537 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.387 -1.469 0.095 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.649 -3.343 -1.350 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.021 -1.516 -0.082 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.284 -3.393 -1.537 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.469 -2.477 -0.900 1.00 0.00 C ATOM 0 H PHE A 34 -5.005 -4.259 1.054 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.587 -1.551 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.166 -3.168 -0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.102 -1.421 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.817 -0.712 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.283 -4.064 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.385 -0.801 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.853 -4.146 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.399 -2.514 -1.043 1.00 0.00 H new ATOM 541 N ASN A 35 -8.147 -3.557 1.347 1.00 0.00 N ATOM 542 CA ASN A 35 -9.581 -3.661 1.589 1.00 0.00 C ATOM 543 C ASN A 35 -9.938 -3.000 2.919 1.00 0.00 C ATOM 544 O ASN A 35 -10.970 -2.343 3.054 1.00 0.00 O ATOM 545 CB ASN A 35 -9.985 -5.132 1.625 1.00 0.00 C ATOM 546 CG ASN A 35 -11.462 -5.325 1.893 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.001 -4.820 2.877 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.117 -6.073 1.021 1.00 0.00 N ATOM 0 H ASN A 35 -7.692 -4.440 1.117 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.116 -3.154 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.728 -5.599 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.410 -5.644 2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.113 -6.253 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.626 -6.470 0.220 1.00 0.00 H new ATOM 555 N ASP A 36 -9.060 -3.196 3.895 1.00 0.00 N ATOM 556 CA ASP A 36 -9.245 -2.639 5.233 1.00 0.00 C ATOM 557 C ASP A 36 -8.528 -1.300 5.411 1.00 0.00 C ATOM 558 O ASP A 36 -8.915 -0.498 6.260 1.00 0.00 O ATOM 559 CB ASP A 36 -8.770 -3.634 6.292 1.00 0.00 C ATOM 560 CG ASP A 36 -9.530 -4.945 6.239 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.425 -5.080 5.376 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.231 -5.837 7.059 1.00 0.00 O ATOM 0 H ASP A 36 -8.205 -3.741 3.785 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.312 -2.455 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.707 -3.828 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.886 -3.190 7.281 1.00 0.00 H new ATOM 567 N ASN A 37 -7.496 -1.046 4.610 1.00 0.00 N ATOM 568 CA ASN A 37 -6.765 0.217 4.702 1.00 0.00 C ATOM 569 C ASN A 37 -7.543 1.313 3.984 1.00 0.00 C ATOM 570 O ASN A 37 -7.703 2.421 4.497 1.00 0.00 O ATOM 571 CB ASN A 37 -5.364 0.097 4.090 1.00 0.00 C ATOM 572 CG ASN A 37 -4.488 -0.914 4.805 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.767 -1.723 4.035 1.00 0.00 O flip ATOM 574 ND2 ASN A 37 -4.434 -0.947 6.033 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.149 -1.689 3.898 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.655 0.469 5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.455 -0.187 3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.878 1.072 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.005 -0.308 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.818 -1.614 6.499 1.00 0.00 H new ATOM 581 N GLY A 38 -8.019 0.961 2.792 1.00 0.00 N ATOM 582 CA GLY A 38 -8.796 1.850 1.941 1.00 0.00 C ATOM 583 C GLY A 38 -9.138 3.208 2.530 1.00 0.00 C ATOM 584 O GLY A 38 -8.259 4.040 2.757 1.00 0.00 O ATOM 0 H GLY A 38 -7.872 0.036 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.244 2.007 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.726 1.346 1.677 1.00 0.00 H new ATOM 588 N VAL A 39 -10.435 3.452 2.695 1.00 0.00 N ATOM 589 CA VAL A 39 -10.926 4.745 3.167 1.00 0.00 C ATOM 590 C VAL A 39 -10.881 4.949 4.681 1.00 0.00 C ATOM 591 O VAL A 39 -10.328 5.944 5.151 1.00 0.00 O ATOM 592 CB VAL A 39 -12.368 4.981 2.675 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.869 6.355 3.101 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.446 4.821 1.163 1.00 0.00 C ATOM 0 H VAL A 39 -11.169 2.768 2.508 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.233 5.472 2.743 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.014 4.232 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.888 6.498 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.854 6.427 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.224 7.125 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.470 4.991 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.786 5.545 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.138 3.812 0.887 1.00 0.00 H new ATOM 604 N ASP A 40 -11.498 4.059 5.445 1.00 0.00 N ATOM 605 CA ASP A 40 -11.550 4.224 6.900 1.00 0.00 C ATOM 606 C ASP A 40 -10.389 3.550 7.626 1.00 0.00 C ATOM 607 O ASP A 40 -10.523 3.175 8.792 1.00 0.00 O ATOM 608 CB ASP A 40 -12.876 3.680 7.437 1.00 0.00 C ATOM 609 CG ASP A 40 -14.074 4.411 6.866 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.172 5.641 7.070 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.914 3.757 6.213 1.00 0.00 O ATOM 0 H ASP A 40 -11.966 3.224 5.093 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.468 5.293 7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.954 2.619 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.887 3.764 8.524 1.00 0.00 H new ATOM 616 N GLY A 41 -9.254 3.404 6.958 1.00 0.00 N ATOM 617 CA GLY A 41 -8.107 2.783 7.599 1.00 0.00 C ATOM 618 C GLY A 41 -7.556 3.629 8.734 1.00 0.00 C ATOM 619 O GLY A 41 -7.659 4.856 8.705 1.00 0.00 O ATOM 0 H GLY A 41 -9.104 3.700 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.394 1.804 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.324 2.618 6.858 1.00 0.00 H new ATOM 623 N GLU A 42 -6.961 2.978 9.731 1.00 0.00 N ATOM 624 CA GLU A 42 -6.380 3.686 10.871 1.00 0.00 C ATOM 625 C GLU A 42 -4.995 4.217 10.513 1.00 0.00 C ATOM 626 O GLU A 42 -4.003 3.494 10.603 1.00 0.00 O ATOM 627 CB GLU A 42 -6.287 2.765 12.091 1.00 0.00 C ATOM 628 CG GLU A 42 -7.630 2.429 12.730 1.00 0.00 C ATOM 629 CD GLU A 42 -8.570 1.686 11.799 1.00 0.00 C ATOM 630 OE1 GLU A 42 -9.046 2.297 10.820 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.832 0.492 12.052 1.00 0.00 O ATOM 0 H GLU A 42 -6.868 1.963 9.773 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.030 4.525 11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.797 1.837 11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.650 3.237 12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.459 1.824 13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.109 3.351 13.058 1.00 0.00 H new ATOM 638 N TRP A 43 -4.937 5.474 10.078 1.00 0.00 N ATOM 639 CA TRP A 43 -3.674 6.084 9.671 1.00 0.00 C ATOM 640 C TRP A 43 -3.095 7.000 10.745 1.00 0.00 C ATOM 641 O TRP A 43 -3.723 7.978 11.146 1.00 0.00 O ATOM 642 CB TRP A 43 -3.868 6.903 8.396 1.00 0.00 C ATOM 643 CG TRP A 43 -4.414 6.132 7.234 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.168 4.997 7.270 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.245 6.454 5.853 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.486 4.600 5.993 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.926 5.478 5.107 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.583 7.480 5.178 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.964 5.498 3.718 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.620 7.498 3.799 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.307 6.513 3.082 1.00 0.00 C ATOM 0 H TRP A 43 -5.748 6.088 9.999 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.976 5.264 9.502 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.541 7.733 8.612 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.910 7.336 8.109 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.471 4.484 8.171 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.047 3.785 5.747 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.052 8.245 5.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.494 4.739 3.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.110 8.286 3.264 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.318 6.556 2.003 1.00 0.00 H new ATOM 662 N THR A 44 -1.873 6.699 11.169 1.00 0.00 N ATOM 663 CA THR A 44 -1.178 7.518 12.155 1.00 0.00 C ATOM 664 C THR A 44 -0.071 8.302 11.455 1.00 0.00 C ATOM 665 O THR A 44 0.606 7.771 10.575 1.00 0.00 O ATOM 666 CB THR A 44 -0.599 6.648 13.272 1.00 0.00 C ATOM 667 OG1 THR A 44 0.277 5.671 12.745 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.657 5.928 14.079 1.00 0.00 C ATOM 0 H THR A 44 -1.342 5.891 10.844 1.00 0.00 H new ATOM 0 HA THR A 44 -1.884 8.212 12.610 1.00 0.00 H new ATOM 0 HB THR A 44 -0.070 7.338 13.929 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.020 6.113 12.283 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.179 5.329 14.854 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.321 6.658 14.542 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.235 5.277 13.423 1.00 0.00 H new ATOM 676 N TYR A 45 0.100 9.568 11.821 1.00 0.00 N ATOM 677 CA TYR A 45 1.115 10.406 11.187 1.00 0.00 C ATOM 678 C TYR A 45 2.247 10.755 12.148 1.00 0.00 C ATOM 679 O TYR A 45 2.017 11.030 13.326 1.00 0.00 O ATOM 680 CB TYR A 45 0.476 11.687 10.649 1.00 0.00 C ATOM 681 CG TYR A 45 1.445 12.594 9.924 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.425 12.071 9.088 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.378 13.974 10.071 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.310 12.897 8.423 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.260 14.806 9.409 1.00 0.00 C ATOM 686 CZ TYR A 45 3.224 14.264 8.587 1.00 0.00 C ATOM 687 OH TYR A 45 4.104 15.090 7.926 1.00 0.00 O ATOM 0 H TYR A 45 -0.445 10.034 12.546 1.00 0.00 H new ATOM 0 HA TYR A 45 1.544 9.836 10.363 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.335 11.421 9.971 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.030 12.236 11.479 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.495 11.001 8.956 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.624 14.403 10.714 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.066 12.475 7.778 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.194 15.877 9.535 1.00 0.00 H new ATOM 0 HH TYR A 45 3.907 16.024 8.149 1.00 0.00 H new ATOM 697 N ASP A 46 3.469 10.758 11.623 1.00 0.00 N ATOM 698 CA ASP A 46 4.646 11.094 12.414 1.00 0.00 C ATOM 699 C ASP A 46 5.400 12.254 11.770 1.00 0.00 C ATOM 700 O ASP A 46 6.375 12.049 11.049 1.00 0.00 O ATOM 701 CB ASP A 46 5.566 9.876 12.543 1.00 0.00 C ATOM 702 CG ASP A 46 6.800 10.167 13.377 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.941 11.312 13.854 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.627 9.247 13.551 1.00 0.00 O ATOM 0 H ASP A 46 3.669 10.530 10.649 1.00 0.00 H new ATOM 0 HA ASP A 46 4.321 11.394 13.410 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.012 9.052 12.994 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.872 9.548 11.549 1.00 0.00 H new ATOM 709 N ASP A 47 4.934 13.474 12.029 1.00 0.00 N ATOM 710 CA ASP A 47 5.557 14.670 11.467 1.00 0.00 C ATOM 711 C ASP A 47 7.070 14.661 11.670 1.00 0.00 C ATOM 712 O ASP A 47 7.825 15.120 10.813 1.00 0.00 O ATOM 713 CB ASP A 47 4.957 15.926 12.102 1.00 0.00 C ATOM 714 CG ASP A 47 3.463 16.038 11.864 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.725 15.123 12.287 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.033 17.039 11.255 1.00 0.00 O ATOM 0 H ASP A 47 4.127 13.660 12.624 1.00 0.00 H new ATOM 0 HA ASP A 47 5.359 14.674 10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.151 15.916 13.174 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.454 16.807 11.696 1.00 0.00 H new ATOM 721 N ALA A 48 7.504 14.139 12.812 1.00 0.00 N ATOM 722 CA ALA A 48 8.925 14.075 13.137 1.00 0.00 C ATOM 723 C ALA A 48 9.734 13.441 12.007 1.00 0.00 C ATOM 724 O ALA A 48 10.898 13.787 11.799 1.00 0.00 O ATOM 725 CB ALA A 48 9.131 13.302 14.431 1.00 0.00 C ATOM 0 H ALA A 48 6.891 13.753 13.530 1.00 0.00 H new ATOM 0 HA ALA A 48 9.284 15.096 13.267 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.195 13.260 14.664 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.601 13.802 15.242 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.745 12.289 14.315 1.00 0.00 H new ATOM 731 N THR A 49 9.122 12.507 11.286 1.00 0.00 N ATOM 732 CA THR A 49 9.802 11.828 10.188 1.00 0.00 C ATOM 733 C THR A 49 9.057 12.002 8.863 1.00 0.00 C ATOM 734 O THR A 49 9.361 11.321 7.882 1.00 0.00 O ATOM 735 CB THR A 49 9.951 10.339 10.503 1.00 0.00 C ATOM 736 OG1 THR A 49 8.682 9.735 10.679 1.00 0.00 O ATOM 737 CG2 THR A 49 10.764 10.068 11.750 1.00 0.00 C ATOM 0 H THR A 49 8.161 12.204 11.441 1.00 0.00 H new ATOM 0 HA THR A 49 10.787 12.282 10.082 1.00 0.00 H new ATOM 0 HB THR A 49 10.477 9.915 9.647 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.798 8.783 10.878 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.830 8.993 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.766 10.479 11.627 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.282 10.537 12.608 1.00 0.00 H new ATOM 745 N LYS A 50 8.083 12.910 8.834 1.00 0.00 N ATOM 746 CA LYS A 50 7.309 13.154 7.615 1.00 0.00 C ATOM 747 C LYS A 50 6.822 11.837 7.014 1.00 0.00 C ATOM 748 O LYS A 50 6.782 11.676 5.790 1.00 0.00 O ATOM 749 CB LYS A 50 8.165 13.904 6.591 1.00 0.00 C ATOM 750 CG LYS A 50 8.388 15.370 6.928 1.00 0.00 C ATOM 751 CD LYS A 50 7.183 16.217 6.540 1.00 0.00 C ATOM 752 CE LYS A 50 7.336 17.663 6.988 1.00 0.00 C ATOM 753 NZ LYS A 50 8.574 18.297 6.456 1.00 0.00 N ATOM 0 H LYS A 50 7.812 13.485 9.632 1.00 0.00 H new ATOM 0 HA LYS A 50 6.442 13.762 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.133 13.409 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.688 13.835 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.580 15.475 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.274 15.734 6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.050 16.184 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.283 15.793 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.469 18.235 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.350 17.703 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.871 19.065 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.330 17.585 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.387 18.684 5.509 1.00 0.00 H new ATOM 767 N THR A 51 6.468 10.890 7.879 1.00 0.00 N ATOM 768 CA THR A 51 6.007 9.583 7.430 1.00 0.00 C ATOM 769 C THR A 51 4.692 9.197 8.101 1.00 0.00 C ATOM 770 O THR A 51 4.494 9.435 9.293 1.00 0.00 O ATOM 771 CB THR A 51 7.074 8.526 7.730 1.00 0.00 C ATOM 772 OG1 THR A 51 8.277 8.818 7.041 1.00 0.00 O ATOM 773 CG2 THR A 51 6.660 7.120 7.354 1.00 0.00 C ATOM 0 H THR A 51 6.492 11.005 8.892 1.00 0.00 H new ATOM 0 HA THR A 51 5.835 9.635 6.355 1.00 0.00 H new ATOM 0 HB THR A 51 7.215 8.564 8.810 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.636 9.673 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.466 6.427 7.595 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.764 6.843 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.451 7.076 6.285 1.00 0.00 H new ATOM 781 N PHE A 52 3.807 8.581 7.327 1.00 0.00 N ATOM 782 CA PHE A 52 2.517 8.133 7.836 1.00 0.00 C ATOM 783 C PHE A 52 2.508 6.613 7.925 1.00 0.00 C ATOM 784 O PHE A 52 3.124 5.942 7.104 1.00 0.00 O ATOM 785 CB PHE A 52 1.384 8.598 6.915 1.00 0.00 C ATOM 786 CG PHE A 52 1.381 10.074 6.639 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.433 10.669 5.959 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.323 10.868 7.054 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.429 12.025 5.698 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.313 12.225 6.793 1.00 0.00 C ATOM 791 CZ PHE A 52 1.368 12.804 6.116 1.00 0.00 C ATOM 0 H PHE A 52 3.961 8.380 6.339 1.00 0.00 H new ATOM 0 HA PHE A 52 2.362 8.563 8.826 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.458 8.063 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.430 8.322 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.265 10.065 5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.503 10.421 7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.255 12.476 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.519 12.832 7.118 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.363 13.865 5.914 1.00 0.00 H new ATOM 801 N THR A 53 1.812 6.063 8.912 1.00 0.00 N ATOM 802 CA THR A 53 1.748 4.616 9.065 1.00 0.00 C ATOM 803 C THR A 53 0.316 4.097 9.043 1.00 0.00 C ATOM 804 O THR A 53 -0.540 4.547 9.805 1.00 0.00 O ATOM 805 CB THR A 53 2.451 4.164 10.346 1.00 0.00 C ATOM 806 OG1 THR A 53 2.190 5.059 11.410 1.00 0.00 O ATOM 807 CG2 THR A 53 3.951 4.032 10.193 1.00 0.00 C ATOM 0 H THR A 53 1.289 6.590 9.611 1.00 0.00 H new ATOM 0 HA THR A 53 2.269 4.190 8.208 1.00 0.00 H new ATOM 0 HB THR A 53 2.044 3.177 10.565 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.540 4.657 12.023 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.386 3.708 11.139 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.175 3.297 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.374 4.996 9.910 1.00 0.00 H new ATOM 815 N VAL A 54 0.082 3.118 8.177 1.00 0.00 N ATOM 816 CA VAL A 54 -1.223 2.487 8.055 1.00 0.00 C ATOM 817 C VAL A 54 -1.155 1.090 8.654 1.00 0.00 C ATOM 818 O VAL A 54 -0.413 0.236 8.169 1.00 0.00 O ATOM 819 CB VAL A 54 -1.679 2.400 6.582 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.049 1.743 6.482 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.698 3.782 5.950 1.00 0.00 C ATOM 0 H VAL A 54 0.788 2.742 7.544 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.951 3.096 8.591 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.966 1.782 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.352 1.691 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.001 0.736 6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.776 2.331 7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.021 3.703 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.389 4.423 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.697 4.213 5.986 1.00 0.00 H new ATOM 831 N THR A 55 -1.905 0.862 9.727 1.00 0.00 N ATOM 832 CA THR A 55 -1.879 -0.435 10.388 1.00 0.00 C ATOM 833 C THR A 55 -3.194 -1.186 10.229 1.00 0.00 C ATOM 834 O THR A 55 -4.259 -0.689 10.598 1.00 0.00 O ATOM 835 CB THR A 55 -1.541 -0.271 11.870 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.488 0.663 12.039 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.101 -1.563 12.519 1.00 0.00 C ATOM 0 H THR A 55 -2.529 1.548 10.152 1.00 0.00 H new ATOM 0 HA THR A 55 -1.103 -1.028 9.905 1.00 0.00 H new ATOM 0 HB THR A 55 -2.460 0.072 12.346 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.285 0.758 12.993 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.875 -1.384 13.570 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.900 -2.300 12.441 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.210 -1.938 12.015 1.00 0.00 H new ATOM 845 N GLU A 56 -3.104 -2.392 9.675 1.00 0.00 N ATOM 846 CA GLU A 56 -4.275 -3.234 9.462 1.00 0.00 C ATOM 847 C GLU A 56 -5.025 -3.470 10.769 1.00 0.00 C ATOM 848 O GLU A 56 -4.372 -3.845 11.765 1.00 0.00 O ATOM 849 CB GLU A 56 -3.849 -4.572 8.851 1.00 0.00 C ATOM 850 CG GLU A 56 -4.997 -5.546 8.641 1.00 0.00 C ATOM 851 CD GLU A 56 -6.058 -5.002 7.706 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.723 -4.704 6.539 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.221 -4.874 8.141 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.258 -3.279 10.785 1.00 0.00 O ATOM 0 H GLU A 56 -2.226 -2.809 9.364 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.947 -2.720 8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.364 -4.385 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.106 -5.036 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.607 -6.480 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.451 -5.780 9.604 1.00 0.00 H new ATOM 862 N MET B 1 5.846 18.527 -1.607 1.00 0.00 N ATOM 863 CA MET B 1 6.957 17.823 -0.914 1.00 0.00 C ATOM 864 C MET B 1 6.822 16.308 -1.049 1.00 0.00 C ATOM 865 O MET B 1 5.762 15.797 -1.408 1.00 0.00 O ATOM 866 CB MET B 1 6.947 18.226 0.565 1.00 0.00 C ATOM 867 CG MET B 1 8.041 17.562 1.385 1.00 0.00 C ATOM 868 SD MET B 1 8.021 18.070 3.114 1.00 0.00 S ATOM 869 CE MET B 1 9.370 17.087 3.765 1.00 0.00 C ATOM 0 H1 MET B 1 5.694 19.456 -1.164 1.00 0.00 H new ATOM 0 H2 MET B 1 6.089 18.657 -2.610 1.00 0.00 H new ATOM 0 H3 MET B 1 4.977 17.961 -1.533 1.00 0.00 H new ATOM 0 HA MET B 1 7.902 18.110 -1.374 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.056 19.308 0.639 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.978 17.973 0.995 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.926 16.480 1.327 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.011 17.803 0.951 1.00 0.00 H new ATOM 0 HE1 MET B 1 8.969 16.278 4.376 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.946 16.667 2.940 1.00 0.00 H new ATOM 0 HE3 MET B 1 10.017 17.716 4.376 1.00 0.00 H new ATOM 881 N GLN B 2 7.903 15.600 -0.745 1.00 0.00 N ATOM 882 CA GLN B 2 7.919 14.145 -0.813 1.00 0.00 C ATOM 883 C GLN B 2 7.636 13.553 0.564 1.00 0.00 C ATOM 884 O GLN B 2 8.271 13.924 1.551 1.00 0.00 O ATOM 885 CB GLN B 2 9.275 13.667 -1.347 1.00 0.00 C ATOM 886 CG GLN B 2 9.418 12.156 -1.444 1.00 0.00 C ATOM 887 CD GLN B 2 9.590 11.492 -0.093 1.00 0.00 C ATOM 888 OE1 GLN B 2 8.696 10.567 0.227 1.00 0.00 O flip ATOM 889 NE2 GLN B 2 10.521 11.803 0.651 1.00 0.00 N flip ATOM 0 H GLN B 2 8.786 16.014 -0.447 1.00 0.00 H new ATOM 0 HA GLN B 2 7.139 13.806 -1.495 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.435 14.098 -2.335 1.00 0.00 H new ATOM 0 HB3 GLN B 2 10.063 14.053 -0.700 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.537 11.744 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN B 2 10.276 11.917 -2.073 1.00 0.00 H new ATOM 0 HE21 GLN B 2 11.186 12.521 0.363 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.627 11.342 1.555 1.00 0.00 H new ATOM 898 N TYR B 3 6.678 12.632 0.631 1.00 0.00 N ATOM 899 CA TYR B 3 6.316 12.000 1.896 1.00 0.00 C ATOM 900 C TYR B 3 6.398 10.484 1.784 1.00 0.00 C ATOM 901 O TYR B 3 6.051 9.909 0.754 1.00 0.00 O ATOM 902 CB TYR B 3 4.908 12.419 2.318 1.00 0.00 C ATOM 903 CG TYR B 3 4.763 13.905 2.544 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.587 14.777 1.476 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.803 14.439 3.825 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.455 16.136 1.680 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.673 15.798 4.036 1.00 0.00 C ATOM 908 CZ TYR B 3 4.498 16.643 2.961 1.00 0.00 C ATOM 909 OH TYR B 3 4.370 17.997 3.166 1.00 0.00 O ATOM 0 H TYR B 3 6.140 12.308 -0.173 1.00 0.00 H new ATOM 0 HA TYR B 3 7.024 12.330 2.656 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.199 12.105 1.551 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.640 11.893 3.234 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.553 14.385 0.470 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.938 13.781 4.671 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.319 16.800 0.839 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.708 16.197 5.039 1.00 0.00 H new ATOM 0 HH TYR B 3 5.259 18.409 3.197 1.00 0.00 H new ATOM 919 N LYS B 4 6.862 9.842 2.850 1.00 0.00 N ATOM 920 CA LYS B 4 6.989 8.391 2.861 1.00 0.00 C ATOM 921 C LYS B 4 5.899 7.753 3.711 1.00 0.00 C ATOM 922 O LYS B 4 5.876 7.912 4.929 1.00 0.00 O ATOM 923 CB LYS B 4 8.369 7.979 3.380 1.00 0.00 C ATOM 924 CG LYS B 4 8.577 6.473 3.423 1.00 0.00 C ATOM 925 CD LYS B 4 9.932 6.094 4.014 1.00 0.00 C ATOM 926 CE LYS B 4 11.088 6.503 3.111 1.00 0.00 C ATOM 927 NZ LYS B 4 11.291 7.979 3.079 1.00 0.00 N ATOM 0 H LYS B 4 7.155 10.301 3.713 1.00 0.00 H new ATOM 0 HA LYS B 4 6.876 8.036 1.837 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.135 8.425 2.746 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.508 8.386 4.382 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.784 6.015 4.014 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.497 6.068 2.414 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.048 6.570 4.988 1.00 0.00 H new ATOM 0 HD3 LYS B 4 9.966 5.017 4.180 1.00 0.00 H new ATOM 0 HE2 LYS B 4 12.003 6.021 3.456 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.900 6.143 2.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 12.308 8.191 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.906 8.363 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.801 8.414 3.887 1.00 0.00 H new ATOM 941 N VAL B 5 4.999 7.026 3.060 1.00 0.00 N ATOM 942 CA VAL B 5 3.913 6.358 3.758 1.00 0.00 C ATOM 943 C VAL B 5 4.284 4.911 4.063 1.00 0.00 C ATOM 944 O VAL B 5 4.796 4.193 3.206 1.00 0.00 O ATOM 945 CB VAL B 5 2.601 6.404 2.945 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.478 5.689 3.684 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.215 7.844 2.646 1.00 0.00 C ATOM 0 H VAL B 5 5.002 6.885 2.050 1.00 0.00 H new ATOM 0 HA VAL B 5 3.750 6.892 4.694 1.00 0.00 H new ATOM 0 HB VAL B 5 2.765 5.885 2.000 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.565 5.735 3.091 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.754 4.647 3.845 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.310 6.172 4.647 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.288 7.861 2.072 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.072 8.384 3.582 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.007 8.321 2.069 1.00 0.00 H new ATOM 957 N ILE B 6 4.036 4.501 5.297 1.00 0.00 N ATOM 958 CA ILE B 6 4.350 3.151 5.741 1.00 0.00 C ATOM 959 C ILE B 6 3.082 2.323 5.924 1.00 0.00 C ATOM 960 O ILE B 6 2.175 2.712 6.659 1.00 0.00 O ATOM 961 CB ILE B 6 5.139 3.191 7.067 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.506 3.841 6.848 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.296 1.795 7.653 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.334 3.950 8.110 1.00 0.00 C ATOM 0 H ILE B 6 3.614 5.090 6.015 1.00 0.00 H new ATOM 0 HA ILE B 6 4.962 2.682 4.971 1.00 0.00 H new ATOM 0 HB ILE B 6 4.576 3.791 7.782 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.060 3.262 6.109 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.362 4.838 6.430 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.856 1.853 8.587 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.312 1.369 7.846 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.833 1.162 6.947 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.290 4.420 7.879 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.801 4.554 8.844 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.509 2.954 8.518 1.00 0.00 H new ATOM 976 N LEU B 7 3.022 1.181 5.251 1.00 0.00 N ATOM 977 CA LEU B 7 1.863 0.305 5.340 1.00 0.00 C ATOM 978 C LEU B 7 2.189 -0.922 6.196 1.00 0.00 C ATOM 979 O LEU B 7 2.574 -1.973 5.680 1.00 0.00 O ATOM 980 CB LEU B 7 1.418 -0.111 3.935 1.00 0.00 C ATOM 981 CG LEU B 7 1.408 1.020 2.909 1.00 0.00 C ATOM 982 CD1 LEU B 7 0.937 0.503 1.557 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.528 2.162 3.393 1.00 0.00 C ATOM 0 H LEU B 7 3.763 0.841 4.638 1.00 0.00 H new ATOM 0 HA LEU B 7 1.044 0.842 5.818 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.079 -0.901 3.578 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.416 -0.536 3.997 1.00 0.00 H new ATOM 0 HG LEU B 7 2.423 1.399 2.792 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.935 1.320 0.836 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.610 -0.283 1.213 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.072 0.101 1.653 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.530 2.962 2.652 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.491 1.801 3.535 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.913 2.543 4.339 1.00 0.00 H new ATOM 995 N ASN B 8 2.047 -0.762 7.510 1.00 0.00 N ATOM 996 CA ASN B 8 2.341 -1.838 8.459 1.00 0.00 C ATOM 997 C ASN B 8 1.101 -2.650 8.816 1.00 0.00 C ATOM 998 O ASN B 8 0.227 -2.180 9.536 1.00 0.00 O ATOM 999 CB ASN B 8 2.959 -1.269 9.741 1.00 0.00 C ATOM 1000 CG ASN B 8 4.370 -0.730 9.553 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.927 -0.879 8.355 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 4.961 -0.189 10.487 1.00 0.00 N flip ATOM 0 H ASN B 8 1.729 0.104 7.945 1.00 0.00 H new ATOM 0 HA ASN B 8 3.051 -2.504 7.968 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.321 -0.469 10.117 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.976 -2.048 10.503 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.502 -0.092 11.393 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.909 0.162 10.355 1.00 0.00 H new ATOM 1009 N GLY B 9 1.045 -3.884 8.330 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.081 -4.747 8.630 1.00 0.00 C ATOM 1011 C GLY B 9 0.332 -5.968 9.419 1.00 0.00 C ATOM 1012 O GLY B 9 1.453 -6.039 9.924 1.00 0.00 O ATOM 0 H GLY B 9 1.759 -4.302 7.734 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.826 -4.186 9.194 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.555 -5.060 7.700 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.566 -6.938 9.520 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.278 -8.164 10.245 1.00 0.00 C ATOM 1018 C LYS B 10 0.498 -9.128 9.356 1.00 0.00 C ATOM 1019 O LYS B 10 1.579 -9.598 9.718 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.579 -8.824 10.716 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.493 -7.904 11.514 1.00 0.00 C ATOM 1022 CD LYS B 10 -2.110 -7.837 12.987 1.00 0.00 C ATOM 1023 CE LYS B 10 -0.711 -7.275 13.192 1.00 0.00 C ATOM 1024 NZ LYS B 10 -0.424 -7.019 14.629 1.00 0.00 N ATOM 0 H LYS B 10 -1.499 -6.898 9.109 1.00 0.00 H new ATOM 0 HA LYS B 10 0.327 -7.917 11.117 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.122 -9.192 9.846 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.332 -9.692 11.328 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.458 -6.902 11.087 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.522 -8.252 11.425 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -2.831 -7.217 13.520 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.166 -8.835 13.421 1.00 0.00 H new ATOM 0 HE2 LYS B 10 0.024 -7.975 12.794 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.606 -6.347 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 0.538 -6.637 14.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.110 -6.332 15.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.500 -7.909 15.162 1.00 0.00 H new ATOM 1038 N THR B 11 -0.068 -9.422 8.190 1.00 0.00 N ATOM 1039 CA THR B 11 0.543 -10.327 7.234 1.00 0.00 C ATOM 1040 C THR B 11 1.196 -9.564 6.089 1.00 0.00 C ATOM 1041 O THR B 11 1.776 -10.167 5.185 1.00 0.00 O ATOM 1042 CB THR B 11 -0.522 -11.266 6.678 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.683 -10.539 6.322 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.934 -12.355 7.645 1.00 0.00 C ATOM 0 H THR B 11 -0.962 -9.038 7.885 1.00 0.00 H new ATOM 0 HA THR B 11 1.317 -10.897 7.747 1.00 0.00 H new ATOM 0 HB THR B 11 -0.066 -11.740 5.809 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.471 -10.969 6.715 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.694 -12.984 7.182 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.066 -12.963 7.900 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.339 -11.903 8.550 1.00 0.00 H new ATOM 1052 N LEU B 12 1.095 -8.240 6.122 1.00 0.00 N ATOM 1053 CA LEU B 12 1.674 -7.419 5.074 1.00 0.00 C ATOM 1054 C LEU B 12 2.385 -6.198 5.648 1.00 0.00 C ATOM 1055 O LEU B 12 1.875 -5.531 6.547 1.00 0.00 O ATOM 1056 CB LEU B 12 0.592 -6.988 4.082 1.00 0.00 C ATOM 1057 CG LEU B 12 1.083 -6.115 2.937 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.283 -6.763 2.274 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.031 -5.872 1.928 1.00 0.00 C ATOM 0 H LEU B 12 0.620 -7.718 6.859 1.00 0.00 H new ATOM 0 HA LEU B 12 2.418 -8.020 4.551 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.126 -7.881 3.665 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.183 -6.448 4.625 1.00 0.00 H new ATOM 0 HG LEU B 12 1.386 -5.147 3.336 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.630 -6.133 1.455 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.083 -6.881 3.005 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.000 -7.741 1.885 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.342 -5.246 1.118 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.369 -6.826 1.523 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.864 -5.371 2.420 1.00 0.00 H new ATOM 1071 N LYS B 13 3.564 -5.916 5.107 1.00 0.00 N ATOM 1072 CA LYS B 13 4.363 -4.774 5.541 1.00 0.00 C ATOM 1073 C LYS B 13 5.111 -4.178 4.355 1.00 0.00 C ATOM 1074 O LYS B 13 5.528 -4.904 3.454 1.00 0.00 O ATOM 1075 CB LYS B 13 5.349 -5.200 6.630 1.00 0.00 C ATOM 1076 CG LYS B 13 4.676 -5.788 7.861 1.00 0.00 C ATOM 1077 CD LYS B 13 5.695 -6.210 8.908 1.00 0.00 C ATOM 1078 CE LYS B 13 5.018 -6.804 10.133 1.00 0.00 C ATOM 1079 NZ LYS B 13 6.005 -7.225 11.163 1.00 0.00 N ATOM 0 H LYS B 13 3.991 -6.466 4.362 1.00 0.00 H new ATOM 0 HA LYS B 13 3.697 -4.016 5.953 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.039 -5.935 6.217 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.944 -4.337 6.928 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.995 -5.053 8.290 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.074 -6.649 7.571 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.379 -6.941 8.478 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.294 -5.348 9.203 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.336 -6.070 10.562 1.00 0.00 H new ATOM 0 HE3 LYS B 13 4.416 -7.662 9.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.503 -7.624 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 6.640 -7.944 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.562 -6.401 11.467 1.00 0.00 H new ATOM 1093 N GLY B 14 5.279 -2.858 4.347 1.00 0.00 N ATOM 1094 CA GLY B 14 5.978 -2.222 3.244 1.00 0.00 C ATOM 1095 C GLY B 14 6.185 -0.735 3.436 1.00 0.00 C ATOM 1096 O GLY B 14 5.829 -0.173 4.472 1.00 0.00 O ATOM 0 H GLY B 14 4.948 -2.224 5.075 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.948 -2.702 3.114 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.416 -2.387 2.325 1.00 0.00 H new ATOM 1100 N GLU B 15 6.761 -0.099 2.419 1.00 0.00 N ATOM 1101 CA GLU B 15 7.019 1.337 2.448 1.00 0.00 C ATOM 1102 C GLU B 15 6.645 1.966 1.112 1.00 0.00 C ATOM 1103 O GLU B 15 6.970 1.435 0.050 1.00 0.00 O ATOM 1104 CB GLU B 15 8.493 1.622 2.761 1.00 0.00 C ATOM 1105 CG GLU B 15 8.947 1.126 4.126 1.00 0.00 C ATOM 1106 CD GLU B 15 8.991 -0.386 4.222 1.00 0.00 C ATOM 1107 OE1 GLU B 15 9.706 -1.011 3.411 1.00 0.00 O ATOM 1108 OE2 GLU B 15 8.317 -0.944 5.114 1.00 0.00 O ATOM 0 H GLU B 15 7.059 -0.560 1.559 1.00 0.00 H new ATOM 0 HA GLU B 15 6.406 1.775 3.236 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.112 1.158 1.994 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.664 2.697 2.702 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.937 1.527 4.341 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.273 1.514 4.890 1.00 0.00 H new ATOM 1115 N THR B 16 5.956 3.098 1.172 1.00 0.00 N ATOM 1116 CA THR B 16 5.528 3.803 -0.030 1.00 0.00 C ATOM 1117 C THR B 16 5.787 5.304 0.093 1.00 0.00 C ATOM 1118 O THR B 16 6.093 5.800 1.175 1.00 0.00 O ATOM 1119 CB THR B 16 4.047 3.518 -0.306 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.501 4.510 -1.137 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.196 3.434 0.940 1.00 0.00 C ATOM 0 H THR B 16 5.680 3.550 2.044 1.00 0.00 H new ATOM 0 HA THR B 16 6.114 3.439 -0.874 1.00 0.00 H new ATOM 0 HB THR B 16 4.031 2.541 -0.788 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.645 4.199 -1.498 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.162 3.230 0.661 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.565 2.632 1.579 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.247 4.380 1.480 1.00 0.00 H new ATOM 1129 N THR B 17 5.691 6.021 -1.029 1.00 0.00 N ATOM 1130 CA THR B 17 5.945 7.462 -1.031 1.00 0.00 C ATOM 1131 C THR B 17 5.027 8.229 -1.985 1.00 0.00 C ATOM 1132 O THR B 17 5.004 7.971 -3.188 1.00 0.00 O ATOM 1133 CB THR B 17 7.404 7.727 -1.401 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.711 7.165 -2.664 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.388 7.168 -0.397 1.00 0.00 C ATOM 0 H THR B 17 5.442 5.632 -1.938 1.00 0.00 H new ATOM 0 HA THR B 17 5.734 7.823 -0.024 1.00 0.00 H new ATOM 0 HB THR B 17 7.505 8.812 -1.417 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.898 7.123 -3.210 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.405 7.391 -0.721 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.210 7.621 0.578 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.260 6.088 -0.324 1.00 0.00 H new ATOM 1143 N THR B 18 4.294 9.196 -1.434 1.00 0.00 N ATOM 1144 CA THR B 18 3.391 10.038 -2.218 1.00 0.00 C ATOM 1145 C THR B 18 3.935 11.465 -2.261 1.00 0.00 C ATOM 1146 O THR B 18 4.535 11.935 -1.294 1.00 0.00 O ATOM 1147 CB THR B 18 1.989 10.039 -1.600 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.082 10.736 -2.432 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.935 10.676 -0.226 1.00 0.00 C ATOM 0 H THR B 18 4.309 9.417 -0.438 1.00 0.00 H new ATOM 0 HA THR B 18 3.326 9.639 -3.230 1.00 0.00 H new ATOM 0 HB THR B 18 1.715 8.989 -1.502 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.337 10.612 -3.370 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.913 10.642 0.151 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.591 10.131 0.454 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.263 11.713 -0.293 1.00 0.00 H new ATOM 1157 N GLU B 19 3.723 12.153 -3.373 1.00 0.00 N ATOM 1158 CA GLU B 19 4.194 13.526 -3.519 1.00 0.00 C ATOM 1159 C GLU B 19 3.021 14.499 -3.470 1.00 0.00 C ATOM 1160 O GLU B 19 2.136 14.454 -4.324 1.00 0.00 O ATOM 1161 CB GLU B 19 4.957 13.690 -4.835 1.00 0.00 C ATOM 1162 CG GLU B 19 5.492 15.096 -5.057 1.00 0.00 C ATOM 1163 CD GLU B 19 6.246 15.235 -6.365 1.00 0.00 C ATOM 1164 OE1 GLU B 19 6.350 14.232 -7.101 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.731 16.349 -6.653 1.00 0.00 O ATOM 0 H GLU B 19 3.229 11.786 -4.187 1.00 0.00 H new ATOM 0 HA GLU B 19 4.868 13.749 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.789 12.986 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.299 13.426 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.662 15.802 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.152 15.364 -4.232 1.00 0.00 H new ATOM 1172 N ALA B 20 3.008 15.370 -2.463 1.00 0.00 N ATOM 1173 CA ALA B 20 1.927 16.336 -2.317 1.00 0.00 C ATOM 1174 C ALA B 20 2.417 17.654 -1.720 1.00 0.00 C ATOM 1175 O ALA B 20 3.411 17.694 -0.995 1.00 0.00 O ATOM 1176 CB ALA B 20 0.817 15.749 -1.457 1.00 0.00 C ATOM 0 H ALA B 20 3.728 15.425 -1.743 1.00 0.00 H new ATOM 0 HA ALA B 20 1.539 16.552 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.013 16.478 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.430 14.846 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.212 15.502 -0.472 1.00 0.00 H new ATOM 1182 N VAL B 21 1.715 18.729 -2.058 1.00 0.00 N ATOM 1183 CA VAL B 21 2.065 20.069 -1.595 1.00 0.00 C ATOM 1184 C VAL B 21 2.267 20.115 -0.079 1.00 0.00 C ATOM 1185 O VAL B 21 2.996 20.965 0.430 1.00 0.00 O ATOM 1186 CB VAL B 21 0.977 21.087 -1.980 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.415 22.502 -1.638 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.629 20.962 -3.453 1.00 0.00 C ATOM 0 H VAL B 21 0.891 18.699 -2.658 1.00 0.00 H new ATOM 0 HA VAL B 21 3.004 20.330 -2.083 1.00 0.00 H new ATOM 0 HB VAL B 21 0.080 20.868 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.630 23.204 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.601 22.576 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.328 22.742 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.142 21.689 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.518 21.150 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.260 19.956 -3.656 1.00 0.00 H new ATOM 1198 N ASP B 22 1.632 19.192 0.634 1.00 0.00 N ATOM 1199 CA ASP B 22 1.767 19.138 2.089 1.00 0.00 C ATOM 1200 C ASP B 22 1.448 17.747 2.624 1.00 0.00 C ATOM 1201 O ASP B 22 1.043 16.859 1.874 1.00 0.00 O ATOM 1202 CB ASP B 22 0.871 20.188 2.751 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.604 19.920 2.538 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.099 18.900 3.057 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.261 20.730 1.853 1.00 0.00 O ATOM 0 H ASP B 22 1.024 18.477 0.236 1.00 0.00 H new ATOM 0 HA ASP B 22 2.805 19.360 2.337 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.080 20.215 3.820 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.118 21.172 2.353 1.00 0.00 H new ATOM 1210 N ALA B 23 1.642 17.560 3.923 1.00 0.00 N ATOM 1211 CA ALA B 23 1.384 16.271 4.555 1.00 0.00 C ATOM 1212 C ALA B 23 -0.071 15.854 4.397 1.00 0.00 C ATOM 1213 O ALA B 23 -0.365 14.692 4.116 1.00 0.00 O ATOM 1214 CB ALA B 23 1.774 16.312 6.024 1.00 0.00 C ATOM 0 H ALA B 23 1.977 18.283 4.560 1.00 0.00 H new ATOM 0 HA ALA B 23 1.997 15.524 4.051 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.575 15.342 6.480 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.835 16.544 6.112 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.191 17.079 6.534 1.00 0.00 H new ATOM 1220 N ALA B 24 -0.981 16.805 4.565 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.401 16.518 4.426 1.00 0.00 C ATOM 1222 C ALA B 24 -2.706 16.095 2.999 1.00 0.00 C ATOM 1223 O ALA B 24 -3.260 15.020 2.767 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.239 17.723 4.822 1.00 0.00 C ATOM 0 H ALA B 24 -0.763 17.774 4.796 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.659 15.699 5.097 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.296 17.484 4.710 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.034 17.983 5.861 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.988 18.568 4.180 1.00 0.00 H new ATOM 1230 N THR B 25 -2.316 16.927 2.036 1.00 0.00 N ATOM 1231 CA THR B 25 -2.523 16.612 0.637 1.00 0.00 C ATOM 1232 C THR B 25 -2.010 15.210 0.360 1.00 0.00 C ATOM 1233 O THR B 25 -2.687 14.400 -0.271 1.00 0.00 O ATOM 1234 CB THR B 25 -1.798 17.629 -0.242 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.420 17.675 0.077 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.346 19.033 -0.113 1.00 0.00 C ATOM 0 H THR B 25 -1.856 17.822 2.205 1.00 0.00 H new ATOM 0 HA THR B 25 -3.587 16.657 0.406 1.00 0.00 H new ATOM 0 HB THR B 25 -1.956 17.289 -1.265 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.293 17.422 1.015 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.785 19.704 -0.764 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.397 19.041 -0.402 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.251 19.367 0.920 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.818 14.921 0.873 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.225 13.606 0.716 1.00 0.00 C ATOM 1246 C ALA B 26 -1.127 12.556 1.349 1.00 0.00 C ATOM 1247 O ALA B 26 -1.455 11.547 0.727 1.00 0.00 O ATOM 1248 CB ALA B 26 1.163 13.568 1.337 1.00 0.00 C ATOM 0 H ALA B 26 -0.247 15.582 1.400 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.124 13.388 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.592 12.574 1.209 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.801 14.304 0.847 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.092 13.799 2.400 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.532 12.804 2.597 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.403 11.881 3.312 1.00 0.00 C ATOM 1256 C GLU B 27 -3.679 11.617 2.518 1.00 0.00 C ATOM 1257 O GLU B 27 -4.105 10.470 2.373 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.742 12.434 4.698 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.351 11.400 5.634 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.751 10.991 5.237 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -5.641 11.864 5.212 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.959 9.793 4.958 1.00 0.00 O ATOM 0 H GLU B 27 -1.269 13.634 3.128 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.874 10.936 3.433 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.835 12.834 5.152 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.437 13.266 4.588 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -2.713 10.517 5.654 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.370 11.802 6.647 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.277 12.682 1.987 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.493 12.553 1.189 1.00 0.00 C ATOM 1271 C LYS B 28 -5.193 11.844 -0.121 1.00 0.00 C ATOM 1272 O LYS B 28 -5.889 10.901 -0.499 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.115 13.928 0.935 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.933 14.448 2.110 1.00 0.00 C ATOM 1275 CD LYS B 28 -6.276 14.117 3.440 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.081 14.663 4.610 1.00 0.00 C ATOM 1277 NZ LYS B 28 -7.216 16.145 4.548 1.00 0.00 N ATOM 0 H LYS B 28 -3.941 13.639 2.095 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.213 11.953 1.745 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.322 14.641 0.710 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.754 13.872 0.053 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.052 15.528 2.021 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.932 14.013 2.079 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.176 13.036 3.539 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.269 14.534 3.464 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.072 14.208 4.613 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -6.598 14.381 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.556 16.501 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.291 16.569 4.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.896 16.401 3.804 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.141 12.279 -0.805 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.749 11.651 -2.058 1.00 0.00 C ATOM 1293 C VAL B 29 -3.539 10.162 -1.834 1.00 0.00 C ATOM 1294 O VAL B 29 -3.971 9.332 -2.634 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.463 12.280 -2.626 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -2.031 11.567 -3.896 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.668 13.765 -2.892 1.00 0.00 C ATOM 0 H VAL B 29 -3.549 13.058 -0.515 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.547 11.809 -2.783 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.672 12.167 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -1.121 12.028 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.841 10.516 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.820 11.645 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.749 14.193 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.475 13.898 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.927 14.269 -1.961 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.903 9.831 -0.715 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.674 8.444 -0.359 1.00 0.00 C ATOM 1309 C VAL B 30 -4.019 7.756 -0.145 1.00 0.00 C ATOM 1310 O VAL B 30 -4.248 6.656 -0.640 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.813 8.319 0.915 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.612 6.858 1.297 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.470 9.012 0.721 1.00 0.00 C ATOM 0 H VAL B 30 -2.539 10.507 -0.043 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.130 7.964 -1.173 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.342 8.811 1.731 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.002 6.798 2.198 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.581 6.394 1.483 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.110 6.335 0.483 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.125 8.914 1.629 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.061 8.550 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.633 10.068 0.506 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.922 8.421 0.586 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.250 7.863 0.833 1.00 0.00 C ATOM 1325 C LYS B 31 -6.870 7.373 -0.470 1.00 0.00 C ATOM 1326 O LYS B 31 -7.389 6.260 -0.548 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.174 8.887 1.496 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.948 9.023 2.988 1.00 0.00 C ATOM 1329 CD LYS B 31 -8.068 9.807 3.653 1.00 0.00 C ATOM 1330 CE LYS B 31 -7.988 9.715 5.169 1.00 0.00 C ATOM 1331 NZ LYS B 31 -9.096 10.457 5.831 1.00 0.00 N ATOM 0 H LYS B 31 -4.758 9.334 1.010 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.132 7.021 1.515 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.027 9.858 1.024 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.210 8.600 1.318 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.879 8.033 3.438 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.996 9.522 3.169 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -8.014 10.852 3.347 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -9.031 9.426 3.314 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.021 8.668 5.471 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.032 10.114 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.005 10.369 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.050 11.461 5.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -10.009 10.060 5.529 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.794 8.217 -1.493 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.332 7.875 -2.804 1.00 0.00 C ATOM 1347 C GLN B 32 -6.650 6.618 -3.331 1.00 0.00 C ATOM 1348 O GLN B 32 -7.278 5.776 -3.972 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.141 9.035 -3.784 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.730 8.775 -5.164 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.246 8.624 -5.168 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.899 8.910 -4.041 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.833 8.269 -6.190 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.366 9.141 -1.440 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.401 7.685 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.600 9.931 -3.366 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.075 9.241 -3.886 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.454 9.595 -5.827 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.283 7.870 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.303 8.058 -7.035 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.850 8.186 -6.192 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.360 6.500 -3.036 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.568 5.349 -3.453 1.00 0.00 C ATOM 1364 C PHE B 33 -5.269 4.053 -3.036 1.00 0.00 C ATOM 1365 O PHE B 33 -5.773 3.303 -3.872 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.172 5.443 -2.815 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.156 4.510 -3.401 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.691 4.701 -4.691 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.661 3.445 -2.662 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.753 3.846 -5.234 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.724 2.588 -3.202 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.270 2.792 -4.491 1.00 0.00 C ATOM 0 H PHE B 33 -4.836 7.195 -2.504 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.464 5.344 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.808 6.466 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.260 5.240 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.066 5.527 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.013 3.285 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.398 4.004 -6.242 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.347 1.761 -2.619 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.464 2.124 -4.916 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.297 3.814 -1.732 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.934 2.623 -1.174 1.00 0.00 C ATOM 1384 C PHE B 34 -7.432 2.629 -1.443 1.00 0.00 C ATOM 1385 O PHE B 34 -8.024 1.590 -1.730 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.635 2.532 0.314 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.162 2.535 0.567 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.348 1.603 -0.053 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.585 3.484 1.389 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -1.984 1.618 0.144 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.223 3.502 1.594 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.421 2.566 0.969 1.00 0.00 C ATOM 0 H PHE B 34 -4.884 4.432 -1.034 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.524 1.739 -1.663 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.098 3.371 0.833 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.076 1.622 0.722 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.786 0.856 -0.698 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.208 4.219 1.876 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.358 0.888 -0.348 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.783 4.246 2.242 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.353 2.578 1.128 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.040 3.805 -1.371 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.466 3.944 -1.634 1.00 0.00 C ATOM 1404 C ASN B 35 -9.820 3.292 -2.968 1.00 0.00 C ATOM 1405 O ASN B 35 -10.866 2.660 -3.117 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.833 5.426 -1.676 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.300 5.655 -1.964 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.839 5.163 -2.957 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.950 6.418 -1.102 1.00 0.00 N ATOM 0 H ASN B 35 -7.568 4.677 -1.133 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.025 3.450 -0.839 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.578 5.887 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.235 5.923 -2.440 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.939 6.621 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.462 6.804 -0.294 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.924 3.467 -3.932 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.104 2.916 -5.273 1.00 0.00 C ATOM 1418 C ASP B 36 -8.416 1.559 -5.442 1.00 0.00 C ATOM 1419 O ASP B 36 -8.812 0.766 -6.296 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.590 3.898 -6.326 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.318 5.227 -6.282 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.220 5.383 -5.432 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.985 6.112 -7.099 1.00 0.00 O ATOM 0 H ASP B 36 -8.057 3.991 -3.809 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.174 2.759 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.524 4.066 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.704 3.457 -7.316 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.403 1.281 -4.625 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.701 -0.001 -4.708 1.00 0.00 C ATOM 1430 C ASN B 37 -7.515 -1.078 -4.001 1.00 0.00 C ATOM 1431 O ASN B 37 -7.693 -2.181 -4.516 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.307 0.086 -4.077 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.396 1.074 -4.777 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.666 1.867 -3.998 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -4.325 1.106 -6.006 1.00 0.00 N flip ATOM 0 H ASN B 37 -7.052 1.915 -3.907 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.583 -0.256 -5.761 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.406 0.372 -3.030 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.845 -0.901 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.903 0.480 -6.567 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.688 1.758 -6.463 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.001 -0.712 -2.816 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.810 -1.583 -1.976 1.00 0.00 C ATOM 1444 C GLY B 38 -9.175 -2.933 -2.572 1.00 0.00 C ATOM 1445 O GLY B 38 -8.315 -3.786 -2.785 1.00 0.00 O ATOM 0 H GLY B 38 -7.840 0.210 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.275 -1.753 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.732 -1.058 -1.724 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.476 -3.146 -2.754 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.992 -4.426 -3.231 1.00 0.00 C ATOM 1451 C VAL B 39 -10.931 -4.631 -4.745 1.00 0.00 C ATOM 1452 O VAL B 39 -10.396 -5.639 -5.208 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.447 -4.627 -2.761 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.975 -5.987 -3.194 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.540 -4.466 -1.250 1.00 0.00 C ATOM 0 H VAL B 39 -11.195 -2.445 -2.577 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.324 -5.169 -2.796 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.069 -3.864 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -14.003 -6.104 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.945 -6.060 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.356 -6.772 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.572 -4.610 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.904 -5.207 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.210 -3.466 -0.970 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.516 -3.727 -5.518 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.550 -3.890 -6.974 1.00 0.00 C ATOM 1467 C ASP B 40 -10.364 -3.245 -7.684 1.00 0.00 C ATOM 1468 O ASP B 40 -10.472 -2.867 -8.852 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.855 -3.315 -7.531 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.080 -4.018 -6.977 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.203 -5.244 -7.181 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.912 -3.342 -6.336 1.00 0.00 O ATOM 0 H ASP B 40 -11.970 -2.881 -5.172 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.489 -4.961 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.911 -2.253 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.851 -3.399 -8.618 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.235 -3.128 -7.000 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.065 -2.535 -7.623 1.00 0.00 C ATOM 1479 C GLY B 41 -7.519 -3.394 -8.751 1.00 0.00 C ATOM 1480 O GLY B 41 -7.650 -4.617 -8.723 1.00 0.00 O ATOM 0 H GLY B 41 -9.106 -3.429 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.322 -1.549 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.289 -2.389 -6.871 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.892 -2.757 -9.739 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.315 -3.480 -10.872 1.00 0.00 C ATOM 1486 C GLU B 42 -4.947 -4.044 -10.494 1.00 0.00 C ATOM 1487 O GLU B 42 -3.935 -3.346 -10.571 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.181 -2.560 -12.089 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.506 -2.193 -12.747 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.442 -1.428 -11.829 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.945 -2.026 -10.857 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.670 -0.227 -12.086 1.00 0.00 O ATOM 0 H GLU B 42 -6.771 -1.745 -9.778 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.982 -4.302 -11.130 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.675 -1.644 -11.784 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.544 -3.045 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.308 -1.592 -13.635 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.002 -3.104 -13.082 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.926 -5.301 -10.058 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.685 -5.941 -9.634 1.00 0.00 C ATOM 1501 C TRP B 43 -3.112 -6.871 -10.699 1.00 0.00 C ATOM 1502 O TRP B 43 -3.759 -7.834 -11.110 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.915 -6.756 -8.362 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.458 -5.971 -7.207 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.185 -4.818 -7.253 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.317 -6.298 -5.825 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.511 -4.414 -5.982 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.985 -5.304 -5.088 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.691 -7.339 -5.140 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.044 -5.325 -3.700 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.746 -7.357 -3.763 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.419 -6.354 -3.054 1.00 0.00 C ATOM 0 H TRP B 43 -5.752 -5.895 -9.989 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.971 -5.137 -9.456 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.604 -7.570 -8.587 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.971 -7.212 -8.063 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.464 -4.298 -8.158 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.056 -3.586 -5.744 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.172 -8.118 -5.679 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.566 -4.555 -3.151 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.263 -8.157 -3.222 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.444 -6.395 -1.975 1.00 0.00 H new ATOM 1523 N THR B 44 -1.876 -6.600 -11.105 1.00 0.00 N ATOM 1524 CA THR B 44 -1.189 -7.436 -12.081 1.00 0.00 C ATOM 1525 C THR B 44 -0.111 -8.248 -11.367 1.00 0.00 C ATOM 1526 O THR B 44 0.567 -7.733 -10.476 1.00 0.00 O ATOM 1527 CB THR B 44 -0.573 -6.581 -13.191 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.319 -5.625 -12.651 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.602 -5.835 -14.013 1.00 0.00 C ATOM 0 H THR B 44 -1.329 -5.806 -10.772 1.00 0.00 H new ATOM 0 HA THR B 44 -1.907 -8.112 -12.545 1.00 0.00 H new ATOM 0 HB THR B 44 -0.052 -7.284 -13.841 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.971 -6.075 -12.075 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.098 -5.249 -14.782 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.277 -6.549 -14.485 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.173 -5.170 -13.365 1.00 0.00 H new ATOM 1537 N TYR B 45 0.034 -9.518 -11.731 1.00 0.00 N ATOM 1538 CA TYR B 45 1.020 -10.378 -11.082 1.00 0.00 C ATOM 1539 C TYR B 45 2.157 -10.756 -12.027 1.00 0.00 C ATOM 1540 O TYR B 45 1.937 -11.024 -13.208 1.00 0.00 O ATOM 1541 CB TYR B 45 0.342 -11.644 -10.554 1.00 0.00 C ATOM 1542 CG TYR B 45 1.278 -12.575 -9.814 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.260 -12.075 -8.967 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.180 -13.952 -9.965 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.115 -12.922 -8.289 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.032 -14.805 -9.289 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.997 -14.286 -8.453 1.00 0.00 C ATOM 1548 OH TYR B 45 3.848 -15.133 -7.780 1.00 0.00 O ATOM 0 H TYR B 45 -0.512 -9.972 -12.464 1.00 0.00 H new ATOM 0 HA TYR B 45 1.451 -9.817 -10.253 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.472 -11.358 -9.888 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.104 -12.182 -11.391 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.356 -11.007 -8.837 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.426 -14.363 -10.621 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.872 -12.518 -7.634 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.942 -15.874 -9.415 1.00 0.00 H new ATOM 0 HH TYR B 45 3.631 -16.062 -8.005 1.00 0.00 H new ATOM 1558 N ASP B 46 3.370 -10.790 -11.486 1.00 0.00 N ATOM 1559 CA ASP B 46 4.550 -11.153 -12.259 1.00 0.00 C ATOM 1560 C ASP B 46 5.266 -12.331 -11.605 1.00 0.00 C ATOM 1561 O ASP B 46 6.236 -12.150 -10.870 1.00 0.00 O ATOM 1562 CB ASP B 46 5.500 -9.959 -12.375 1.00 0.00 C ATOM 1563 CG ASP B 46 6.739 -10.279 -13.192 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.858 -11.427 -13.668 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.592 -9.379 -13.354 1.00 0.00 O ATOM 0 H ASP B 46 3.561 -10.569 -10.509 1.00 0.00 H new ATOM 0 HA ASP B 46 4.233 -11.445 -13.260 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.973 -9.122 -12.833 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.799 -9.639 -11.377 1.00 0.00 H new ATOM 1570 N ASP B 47 4.775 -13.538 -11.871 1.00 0.00 N ATOM 1571 CA ASP B 47 5.360 -14.750 -11.300 1.00 0.00 C ATOM 1572 C ASP B 47 6.875 -14.777 -11.482 1.00 0.00 C ATOM 1573 O ASP B 47 7.607 -15.255 -10.615 1.00 0.00 O ATOM 1574 CB ASP B 47 4.739 -15.992 -11.944 1.00 0.00 C ATOM 1575 CG ASP B 47 3.240 -16.067 -11.727 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.530 -15.135 -12.160 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.777 -17.058 -11.125 1.00 0.00 O ATOM 0 H ASP B 47 3.973 -13.704 -12.479 1.00 0.00 H new ATOM 0 HA ASP B 47 5.145 -14.750 -10.231 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.949 -15.987 -13.014 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.208 -16.885 -11.531 1.00 0.00 H new ATOM 1582 N ALA B 48 7.339 -14.266 -12.617 1.00 0.00 N ATOM 1583 CA ALA B 48 8.765 -14.237 -12.923 1.00 0.00 C ATOM 1584 C ALA B 48 9.574 -13.623 -11.782 1.00 0.00 C ATOM 1585 O ALA B 48 10.726 -13.997 -11.557 1.00 0.00 O ATOM 1586 CB ALA B 48 9.009 -13.470 -14.214 1.00 0.00 C ATOM 0 H ALA B 48 6.746 -13.865 -13.343 1.00 0.00 H new ATOM 0 HA ALA B 48 9.099 -15.267 -13.049 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.077 -13.455 -14.432 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.478 -13.957 -15.032 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.647 -12.448 -14.104 1.00 0.00 H new ATOM 1592 N THR B 49 8.973 -12.675 -11.070 1.00 0.00 N ATOM 1593 CA THR B 49 9.655 -12.012 -9.960 1.00 0.00 C ATOM 1594 C THR B 49 8.887 -12.167 -8.646 1.00 0.00 C ATOM 1595 O THR B 49 9.195 -11.495 -7.662 1.00 0.00 O ATOM 1596 CB THR B 49 9.845 -10.526 -10.273 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.593 -9.891 -10.467 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.681 -10.277 -11.509 1.00 0.00 C ATOM 0 H THR B 49 8.021 -12.349 -11.239 1.00 0.00 H new ATOM 0 HA THR B 49 10.627 -12.491 -9.839 1.00 0.00 H new ATOM 0 HB THR B 49 10.369 -10.114 -9.411 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.735 -8.942 -10.665 1.00 0.00 H new ATOM 0 HG21 THR B 49 10.776 -9.204 -11.674 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.671 -10.713 -11.373 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.199 -10.735 -12.373 1.00 0.00 H new ATOM 1606 N LYS B 50 7.891 -13.052 -8.631 1.00 0.00 N ATOM 1607 CA LYS B 50 7.094 -13.275 -7.425 1.00 0.00 C ATOM 1608 C LYS B 50 6.630 -11.948 -6.829 1.00 0.00 C ATOM 1609 O LYS B 50 6.579 -11.785 -5.607 1.00 0.00 O ATOM 1610 CB LYS B 50 7.917 -14.046 -6.388 1.00 0.00 C ATOM 1611 CG LYS B 50 8.109 -15.517 -6.722 1.00 0.00 C ATOM 1612 CD LYS B 50 6.879 -16.334 -6.351 1.00 0.00 C ATOM 1613 CE LYS B 50 7.002 -17.786 -6.797 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.218 -18.448 -6.247 1.00 0.00 N ATOM 0 H LYS B 50 7.618 -13.622 -9.432 1.00 0.00 H new ATOM 0 HA LYS B 50 6.216 -13.860 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.895 -13.575 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.428 -13.965 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.313 -15.627 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.978 -15.903 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.732 -16.298 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS B 50 5.996 -15.888 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.117 -18.337 -6.480 1.00 0.00 H new ATOM 0 HE3 LYS B 50 7.030 -17.828 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.197 -19.462 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.067 -18.015 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 8.240 -18.330 -5.214 1.00 0.00 H new ATOM 1628 N THR B 51 6.313 -10.993 -7.699 1.00 0.00 N ATOM 1629 CA THR B 51 5.876 -9.675 -7.257 1.00 0.00 C ATOM 1630 C THR B 51 4.581 -9.256 -7.947 1.00 0.00 C ATOM 1631 O THR B 51 4.395 -9.490 -9.140 1.00 0.00 O ATOM 1632 CB THR B 51 6.974 -8.645 -7.542 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.160 -8.965 -6.836 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.588 -7.229 -7.171 1.00 0.00 C ATOM 0 H THR B 51 6.351 -11.108 -8.712 1.00 0.00 H new ATOM 0 HA THR B 51 5.685 -9.723 -6.185 1.00 0.00 H new ATOM 0 HB THR B 51 7.130 -8.688 -8.620 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.511 -9.821 -7.158 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.413 -6.555 -7.400 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.707 -6.931 -7.740 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.365 -7.180 -6.105 1.00 0.00 H new ATOM 1642 N PHE B 52 3.700 -8.618 -7.184 1.00 0.00 N ATOM 1643 CA PHE B 52 2.428 -8.140 -7.711 1.00 0.00 C ATOM 1644 C PHE B 52 2.458 -6.620 -7.800 1.00 0.00 C ATOM 1645 O PHE B 52 3.079 -5.966 -6.972 1.00 0.00 O ATOM 1646 CB PHE B 52 1.272 -8.577 -6.807 1.00 0.00 C ATOM 1647 CG PHE B 52 1.230 -10.054 -6.533 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.257 -10.673 -5.838 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.159 -10.821 -6.960 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.216 -12.028 -5.575 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.112 -12.178 -6.701 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.142 -12.782 -6.009 1.00 0.00 C ATOM 0 H PHE B 52 3.845 -8.420 -6.194 1.00 0.00 H new ATOM 0 HA PHE B 52 2.275 -8.567 -8.702 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.346 -8.045 -5.859 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.331 -8.277 -7.269 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.099 -10.089 -5.498 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.650 -10.353 -7.502 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.022 -12.498 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.729 -12.765 -7.040 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.109 -13.842 -5.807 1.00 0.00 H new ATOM 1662 N THR B 53 1.790 -6.055 -8.797 1.00 0.00 N ATOM 1663 CA THR B 53 1.763 -4.605 -8.951 1.00 0.00 C ATOM 1664 C THR B 53 0.345 -4.052 -8.949 1.00 0.00 C ATOM 1665 O THR B 53 -0.512 -4.482 -9.723 1.00 0.00 O ATOM 1666 CB THR B 53 2.495 -4.172 -10.222 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.227 -5.059 -11.291 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.995 -4.075 -10.048 1.00 0.00 C ATOM 0 H THR B 53 1.265 -6.570 -9.504 1.00 0.00 H new ATOM 0 HA THR B 53 2.282 -4.190 -8.087 1.00 0.00 H new ATOM 0 HB THR B 53 2.114 -3.176 -10.446 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.570 -4.654 -11.895 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.451 -3.763 -10.988 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.225 -3.344 -9.273 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.391 -5.048 -9.758 1.00 0.00 H new ATOM 1676 N VAL B 54 0.122 -3.068 -8.087 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.169 -2.405 -7.982 1.00 0.00 C ATOM 1678 C VAL B 54 -1.060 -1.011 -8.581 1.00 0.00 C ATOM 1679 O VAL B 54 -0.304 -0.174 -8.084 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.643 -2.306 -6.517 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.997 -1.616 -6.435 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.705 -3.689 -5.884 1.00 0.00 C ATOM 0 H VAL B 54 0.828 -2.709 -7.444 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.904 -2.997 -8.527 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.922 -1.705 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.313 -1.557 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.919 -0.610 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.731 -2.186 -7.005 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -2.041 -3.602 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.404 -4.313 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.715 -4.144 -5.906 1.00 0.00 H new ATOM 1692 N THR B 55 -1.788 -0.766 -9.664 1.00 0.00 N ATOM 1693 CA THR B 55 -1.721 0.531 -10.324 1.00 0.00 C ATOM 1694 C THR B 55 -3.020 1.313 -10.183 1.00 0.00 C ATOM 1695 O THR B 55 -4.091 0.843 -10.568 1.00 0.00 O ATOM 1696 CB THR B 55 -1.366 0.358 -11.800 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.334 -0.600 -11.956 1.00 0.00 O ATOM 1698 CG2 THR B 55 -0.886 1.640 -12.444 1.00 0.00 C ATOM 0 H THR B 55 -2.422 -1.437 -10.098 1.00 0.00 H new ATOM 0 HA THR B 55 -0.938 1.106 -9.830 1.00 0.00 H new ATOM 0 HB THR B 55 -2.287 0.036 -12.287 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.121 -0.699 -12.907 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.649 1.454 -13.492 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.669 2.396 -12.377 1.00 0.00 H new ATOM 0 HG23 THR B 55 0.006 1.995 -11.928 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.907 2.518 -9.629 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.061 3.388 -9.430 1.00 0.00 C ATOM 1708 C GLU B 56 -4.787 3.642 -10.749 1.00 0.00 C ATOM 1709 O GLU B 56 -4.110 4.001 -11.735 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.610 4.716 -8.813 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.737 5.717 -8.620 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.825 5.199 -7.701 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.515 4.893 -6.531 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.985 5.101 -8.153 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.025 3.481 -10.782 1.00 0.00 O ATOM 0 H GLU B 56 -2.023 2.914 -9.309 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.754 2.892 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.144 4.518 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.846 5.161 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.331 6.642 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.171 5.961 -9.590 1.00 0.00 H new