USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -92:sc= 1.25 USER MOD Set 1.2: B 51 THR OG1 : rot 55:sc= 0.695 USER MOD Set 2.1: B 44 THR OG1 : rot 57:sc= 1.61 USER MOD Set 2.2: B 53 THR OG1 : rot 106:sc= 1.84 USER MOD Set 3.1: A 49 THR OG1 : rot -101:sc= 1.21 USER MOD Set 3.2: A 51 THR OG1 : rot 55:sc= 0.706 USER MOD Set 4.1: A 44 THR OG1 : rot 63:sc= 1.59 USER MOD Set 4.2: A 53 THR OG1 : rot 105:sc= 1.76! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.3 (180deg=1.12) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.89!,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.69 USER MOD Single : A 4 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.683) USER MOD Single : A 8 ASN : amide:sc= -5.7! C(o=-5.7!,f=-12!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -150:sc= -4.73! USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= -0.0252 (180deg=-0.249) USER MOD Single : A 16 THR OG1 : rot 169:sc= -4.89! USER MOD Single : A 17 THR OG1 : rot 40:sc= 0.313 USER MOD Single : A 18 THR OG1 : rot 27:sc= -0.764 USER MOD Single : A 25 THR OG1 : rot -20:sc= -0.165! USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0434 (180deg=-0.319) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= -2.99 (180deg=-3.09) USER MOD Single : A 32 GLN : amide:sc= -8.7! C(o=-8.7!,f=-13!) USER MOD Single : A 35 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5.3!) USER MOD Single : A 37 ASN : amide:sc= -8.16! C(o=-8.2!,f=-9!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.245 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 159:sc= 1.3 (180deg=1.2) USER MOD Single : B 2 GLN :FLIP amide:sc= 0 F(o=-0.94!,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -1.66 USER MOD Single : B 4 LYS NZ :NH3+ 148:sc= 1.13 (180deg=0.702) USER MOD Single : B 8 ASN : amide:sc= -5.69! C(o=-5.7!,f=-12!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -163:sc= -4.69! USER MOD Single : B 13 LYS NZ :NH3+ -168:sc= -0.0433 (180deg=-0.246) USER MOD Single : B 16 THR OG1 : rot 164:sc= -4.93! USER MOD Single : B 17 THR OG1 : rot 30:sc= 0.309 USER MOD Single : B 18 THR OG1 : rot 28:sc= -0.744 USER MOD Single : B 25 THR OG1 : rot -20:sc= -0.241! USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= -0.0705 (180deg=-0.303) USER MOD Single : B 31 LYS NZ :NH3+ -166:sc= -2.95 (180deg=-3.12) USER MOD Single : B 32 GLN : amide:sc= -8.54! C(o=-8.5!,f=-13!) USER MOD Single : B 35 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5.3!) USER MOD Single : B 37 ASN : amide:sc= -8.29! C(o=-8.3!,f=-9.1!) USER MOD Single : B 45 TYR OH : rot 180:sc= -0.237 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.533 -18.764 1.851 1.00 0.00 N ATOM 2 CA MET A 1 6.615 -18.037 1.139 1.00 0.00 C ATOM 3 C MET A 1 6.420 -16.528 1.240 1.00 0.00 C ATOM 4 O MET A 1 5.342 -16.054 1.597 1.00 0.00 O ATOM 5 CB MET A 1 6.613 -18.476 -0.330 1.00 0.00 C ATOM 6 CG MET A 1 7.723 -17.850 -1.157 1.00 0.00 C ATOM 7 SD MET A 1 7.734 -18.437 -2.861 1.00 0.00 S ATOM 8 CE MET A 1 9.110 -17.506 -3.530 1.00 0.00 C ATOM 0 H1 MET A 1 5.449 -19.726 1.465 1.00 0.00 H new ATOM 0 H2 MET A 1 5.759 -18.816 2.865 1.00 0.00 H new ATOM 0 H3 MET A 1 4.633 -18.260 1.722 1.00 0.00 H new ATOM 0 HA MET A 1 7.573 -18.276 1.600 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.706 -19.561 -0.376 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.652 -18.219 -0.775 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.608 -16.766 -1.151 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.685 -18.071 -0.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.244 -17.760 -4.581 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.907 -16.439 -3.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.018 -17.751 -2.979 1.00 0.00 H new ATOM 20 N GLN A 2 7.466 -15.777 0.910 1.00 0.00 N ATOM 21 CA GLN A 2 7.406 -14.322 0.950 1.00 0.00 C ATOM 22 C GLN A 2 7.266 -13.764 -0.460 1.00 0.00 C ATOM 23 O GLN A 2 7.916 -14.241 -1.391 1.00 0.00 O ATOM 24 CB GLN A 2 8.660 -13.753 1.618 1.00 0.00 C ATOM 25 CG GLN A 2 8.664 -12.232 1.706 1.00 0.00 C ATOM 26 CD GLN A 2 9.907 -11.663 2.381 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.824 -12.529 2.810 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 10.041 -10.447 2.515 1.00 0.00 N flip ATOM 0 H GLN A 2 8.366 -16.154 0.612 1.00 0.00 H new ATOM 0 HA GLN A 2 6.535 -14.027 1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.747 -14.167 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.539 -14.079 1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.585 -11.818 0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.781 -11.906 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.318 -9.814 2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.875 -10.073 2.967 1.00 0.00 H new ATOM 37 N TYR A 3 6.413 -12.759 -0.619 1.00 0.00 N ATOM 38 CA TYR A 3 6.195 -12.153 -1.926 1.00 0.00 C ATOM 39 C TYR A 3 6.453 -10.652 -1.885 1.00 0.00 C ATOM 40 O TYR A 3 6.194 -9.991 -0.877 1.00 0.00 O ATOM 41 CB TYR A 3 4.773 -12.436 -2.410 1.00 0.00 C ATOM 42 CG TYR A 3 4.488 -13.910 -2.593 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.419 -14.765 -1.498 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.294 -14.449 -3.859 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.163 -16.113 -1.661 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.036 -15.795 -4.029 1.00 0.00 C ATOM 47 CZ TYR A 3 3.973 -16.624 -2.928 1.00 0.00 C ATOM 48 OH TYR A 3 3.718 -17.965 -3.094 1.00 0.00 O ATOM 0 H TYR A 3 5.864 -12.349 0.136 1.00 0.00 H new ATOM 0 HA TYR A 3 6.901 -12.597 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.063 -12.022 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.609 -11.921 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.568 -14.369 -0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.346 -13.805 -4.724 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.112 -16.763 -0.800 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.884 -16.197 -5.020 1.00 0.00 H new ATOM 0 HH TYR A 3 3.608 -18.161 -4.048 1.00 0.00 H new ATOM 58 N LYS A 4 6.967 -10.122 -2.989 1.00 0.00 N ATOM 59 CA LYS A 4 7.269 -8.700 -3.090 1.00 0.00 C ATOM 60 C LYS A 4 6.132 -7.974 -3.800 1.00 0.00 C ATOM 61 O LYS A 4 5.954 -8.116 -5.007 1.00 0.00 O ATOM 62 CB LYS A 4 8.585 -8.504 -3.848 1.00 0.00 C ATOM 63 CG LYS A 4 9.228 -7.140 -3.649 1.00 0.00 C ATOM 64 CD LYS A 4 8.338 -6.008 -4.131 1.00 0.00 C ATOM 65 CE LYS A 4 9.068 -4.677 -4.076 1.00 0.00 C ATOM 66 NZ LYS A 4 10.241 -4.649 -4.993 1.00 0.00 N ATOM 0 H LYS A 4 7.184 -10.658 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 4 7.374 -8.283 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.290 -9.274 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.403 -8.655 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.453 -6.998 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.177 -7.106 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.013 -6.206 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.440 -5.960 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.380 -3.874 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.400 -4.487 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.380 -3.682 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.092 -4.953 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.072 -5.292 -5.792 1.00 0.00 H new ATOM 80 N VAL A 5 5.362 -7.202 -3.046 1.00 0.00 N ATOM 81 CA VAL A 5 4.240 -6.468 -3.615 1.00 0.00 C ATOM 82 C VAL A 5 4.629 -5.031 -3.942 1.00 0.00 C ATOM 83 O VAL A 5 5.094 -4.289 -3.083 1.00 0.00 O ATOM 84 CB VAL A 5 3.032 -6.469 -2.657 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.859 -5.715 -3.265 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.632 -7.895 -2.307 1.00 0.00 C ATOM 0 H VAL A 5 5.492 -7.068 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 5 3.960 -6.975 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 5 3.323 -5.958 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.018 -5.729 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.151 -4.683 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.565 -6.192 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.778 -7.878 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.363 -8.431 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.468 -8.399 -1.823 1.00 0.00 H new ATOM 96 N ILE A 6 4.434 -4.649 -5.196 1.00 0.00 N ATOM 97 CA ILE A 6 4.754 -3.306 -5.655 1.00 0.00 C ATOM 98 C ILE A 6 3.473 -2.493 -5.852 1.00 0.00 C ATOM 99 O ILE A 6 2.559 -2.923 -6.551 1.00 0.00 O ATOM 100 CB ILE A 6 5.558 -3.365 -6.973 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.894 -4.073 -6.745 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.788 -1.976 -7.544 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.726 -4.211 -8.001 1.00 0.00 C ATOM 0 H ILE A 6 4.052 -5.258 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 6 5.365 -2.817 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 6 4.974 -3.932 -7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.466 -3.521 -5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.705 -5.064 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.356 -2.053 -8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.827 -1.502 -7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.345 -1.375 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.659 -4.722 -7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.173 -4.789 -8.742 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.946 -3.222 -8.402 1.00 0.00 H new ATOM 115 N LEU A 7 3.402 -1.330 -5.213 1.00 0.00 N ATOM 116 CA LEU A 7 2.218 -0.479 -5.307 1.00 0.00 C ATOM 117 C LEU A 7 2.513 0.771 -6.142 1.00 0.00 C ATOM 118 O LEU A 7 3.166 1.703 -5.670 1.00 0.00 O ATOM 119 CB LEU A 7 1.759 -0.089 -3.896 1.00 0.00 C ATOM 120 CG LEU A 7 1.854 -1.209 -2.861 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.403 -0.709 -1.497 1.00 0.00 C ATOM 122 CD2 LEU A 7 1.028 -2.409 -3.301 1.00 0.00 C ATOM 0 H LEU A 7 4.147 -0.955 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 7 1.421 -1.032 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.358 0.755 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.725 0.254 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 7 2.894 -1.524 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.476 -1.518 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.040 0.119 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.369 -0.369 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.106 -3.198 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.015 -2.113 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.401 -2.777 -4.257 1.00 0.00 H new ATOM 134 N ASN A 8 2.036 0.779 -7.390 1.00 0.00 N ATOM 135 CA ASN A 8 2.261 1.910 -8.296 1.00 0.00 C ATOM 136 C ASN A 8 0.986 2.702 -8.550 1.00 0.00 C ATOM 137 O ASN A 8 0.084 2.235 -9.240 1.00 0.00 O ATOM 138 CB ASN A 8 2.818 1.423 -9.634 1.00 0.00 C ATOM 139 CG ASN A 8 4.174 0.771 -9.493 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.319 -0.222 -8.792 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.174 1.332 -10.164 1.00 0.00 N ATOM 0 H ASN A 8 1.493 0.017 -7.796 1.00 0.00 H new ATOM 0 HA ASN A 8 2.982 2.565 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.121 0.712 -10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.893 2.266 -10.321 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.112 0.935 -10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.004 2.159 -10.736 1.00 0.00 H new ATOM 148 N GLY A 9 0.911 3.908 -7.999 1.00 0.00 N ATOM 149 CA GLY A 9 -0.266 4.734 -8.199 1.00 0.00 C ATOM 150 C GLY A 9 0.018 5.958 -9.043 1.00 0.00 C ATOM 151 O GLY A 9 1.093 6.079 -9.632 1.00 0.00 O ATOM 0 H GLY A 9 1.639 4.327 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.045 4.140 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.654 5.048 -7.230 1.00 0.00 H new ATOM 155 N LYS A 10 -0.947 6.867 -9.103 1.00 0.00 N ATOM 156 CA LYS A 10 -0.799 8.091 -9.879 1.00 0.00 C ATOM 157 C LYS A 10 0.188 9.041 -9.212 1.00 0.00 C ATOM 158 O LYS A 10 1.159 9.480 -9.828 1.00 0.00 O ATOM 159 CB LYS A 10 -2.153 8.784 -10.042 1.00 0.00 C ATOM 160 CG LYS A 10 -3.175 7.960 -10.806 1.00 0.00 C ATOM 161 CD LYS A 10 -2.724 7.701 -12.233 1.00 0.00 C ATOM 162 CE LYS A 10 -3.766 6.914 -13.011 1.00 0.00 C ATOM 163 NZ LYS A 10 -3.348 6.681 -14.421 1.00 0.00 N ATOM 0 H LYS A 10 -1.842 6.779 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.413 7.822 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.553 9.017 -9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.005 9.733 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.334 7.010 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.132 8.482 -10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.534 8.650 -12.734 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.783 7.151 -12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.938 5.956 -12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.713 7.454 -12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.086 6.141 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.208 7.595 -14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.458 6.144 -14.435 1.00 0.00 H new ATOM 177 N THR A 11 -0.078 9.367 -7.952 1.00 0.00 N ATOM 178 CA THR A 11 0.760 10.274 -7.193 1.00 0.00 C ATOM 179 C THR A 11 1.429 9.564 -6.025 1.00 0.00 C ATOM 180 O THR A 11 1.970 10.206 -5.125 1.00 0.00 O ATOM 181 CB THR A 11 -0.098 11.422 -6.670 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.354 10.937 -6.237 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.353 12.503 -7.691 1.00 0.00 C ATOM 0 H THR A 11 -0.880 9.008 -7.433 1.00 0.00 H new ATOM 0 HA THR A 11 1.543 10.654 -7.849 1.00 0.00 H new ATOM 0 HB THR A 11 0.471 11.858 -5.849 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.033 11.634 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.969 13.285 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.597 12.929 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.871 12.077 -8.550 1.00 0.00 H new ATOM 191 N LEU A 12 1.381 8.238 -6.034 1.00 0.00 N ATOM 192 CA LEU A 12 1.975 7.458 -4.965 1.00 0.00 C ATOM 193 C LEU A 12 2.688 6.225 -5.510 1.00 0.00 C ATOM 194 O LEU A 12 2.198 5.563 -6.424 1.00 0.00 O ATOM 195 CB LEU A 12 0.893 7.057 -3.960 1.00 0.00 C ATOM 196 CG LEU A 12 1.371 6.201 -2.796 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.558 6.866 -2.123 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.240 5.974 -1.801 1.00 0.00 C ATOM 0 H LEU A 12 0.938 7.685 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 12 2.722 8.071 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.438 7.963 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.110 6.515 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 12 1.685 5.228 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.897 6.249 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.368 6.980 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.263 7.847 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.600 5.360 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.104 6.934 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.586 5.465 -2.299 1.00 0.00 H new ATOM 210 N LYS A 13 3.849 5.927 -4.936 1.00 0.00 N ATOM 211 CA LYS A 13 4.640 4.774 -5.355 1.00 0.00 C ATOM 212 C LYS A 13 5.348 4.154 -4.156 1.00 0.00 C ATOM 213 O LYS A 13 5.755 4.864 -3.238 1.00 0.00 O ATOM 214 CB LYS A 13 5.665 5.193 -6.410 1.00 0.00 C ATOM 215 CG LYS A 13 5.046 5.884 -7.613 1.00 0.00 C ATOM 216 CD LYS A 13 6.100 6.297 -8.626 1.00 0.00 C ATOM 217 CE LYS A 13 5.480 7.026 -9.808 1.00 0.00 C ATOM 218 NZ LYS A 13 4.486 6.179 -10.523 1.00 0.00 N ATOM 0 H LYS A 13 4.264 6.469 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 13 3.970 4.032 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.394 5.861 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.209 4.311 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.327 5.215 -8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.493 6.764 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.836 6.941 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.632 5.414 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.996 7.938 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.265 7.328 -10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.251 6.616 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.888 5.234 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.624 6.094 -9.947 1.00 0.00 H new ATOM 232 N GLY A 14 5.496 2.831 -4.160 1.00 0.00 N ATOM 233 CA GLY A 14 6.157 2.174 -3.048 1.00 0.00 C ATOM 234 C GLY A 14 6.348 0.685 -3.251 1.00 0.00 C ATOM 235 O GLY A 14 6.094 0.153 -4.332 1.00 0.00 O ATOM 0 H GLY A 14 5.174 2.211 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.130 2.638 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.574 2.337 -2.142 1.00 0.00 H new ATOM 239 N GLU A 15 6.799 0.013 -2.196 1.00 0.00 N ATOM 240 CA GLU A 15 7.035 -1.424 -2.234 1.00 0.00 C ATOM 241 C GLU A 15 6.648 -2.064 -0.904 1.00 0.00 C ATOM 242 O GLU A 15 6.929 -1.520 0.163 1.00 0.00 O ATOM 243 CB GLU A 15 8.504 -1.707 -2.550 1.00 0.00 C ATOM 244 CG GLU A 15 8.959 -1.131 -3.882 1.00 0.00 C ATOM 245 CD GLU A 15 10.428 -1.384 -4.157 1.00 0.00 C ATOM 246 OE1 GLU A 15 11.271 -0.928 -3.356 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.737 -2.039 -5.176 1.00 0.00 O ATOM 0 H GLU A 15 7.010 0.447 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 15 6.416 -1.858 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.125 -1.295 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.665 -2.785 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.363 -1.566 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.771 -0.057 -3.892 1.00 0.00 H new ATOM 254 N THR A 16 5.994 -3.216 -0.979 1.00 0.00 N ATOM 255 CA THR A 16 5.558 -3.928 0.212 1.00 0.00 C ATOM 256 C THR A 16 5.792 -5.431 0.071 1.00 0.00 C ATOM 257 O THR A 16 6.107 -5.916 -1.014 1.00 0.00 O ATOM 258 CB THR A 16 4.082 -3.627 0.493 1.00 0.00 C ATOM 259 OG1 THR A 16 3.523 -4.619 1.318 1.00 0.00 O ATOM 260 CG2 THR A 16 3.226 -3.527 -0.753 1.00 0.00 C ATOM 0 H THR A 16 5.754 -3.677 -1.856 1.00 0.00 H new ATOM 0 HA THR A 16 6.151 -3.582 1.058 1.00 0.00 H new ATOM 0 HB THR A 16 4.081 -2.653 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.642 -4.326 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.195 -3.312 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.602 -2.726 -1.389 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.264 -4.471 -1.297 1.00 0.00 H new ATOM 268 N THR A 17 5.663 -6.161 1.178 1.00 0.00 N ATOM 269 CA THR A 17 5.887 -7.604 1.170 1.00 0.00 C ATOM 270 C THR A 17 4.926 -8.352 2.095 1.00 0.00 C ATOM 271 O THR A 17 4.921 -8.140 3.308 1.00 0.00 O ATOM 272 CB THR A 17 7.325 -7.903 1.585 1.00 0.00 C ATOM 273 OG1 THR A 17 7.607 -7.337 2.853 1.00 0.00 O ATOM 274 CG2 THR A 17 8.353 -7.379 0.607 1.00 0.00 C ATOM 0 H THR A 17 5.406 -5.778 2.088 1.00 0.00 H new ATOM 0 HA THR A 17 5.702 -7.953 0.154 1.00 0.00 H new ATOM 0 HB THR A 17 7.398 -8.990 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.833 -7.453 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.353 -7.626 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.192 -7.836 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.255 -6.297 0.521 1.00 0.00 H new ATOM 282 N THR A 18 4.136 -9.249 1.512 1.00 0.00 N ATOM 283 CA THR A 18 3.186 -10.058 2.272 1.00 0.00 C ATOM 284 C THR A 18 3.717 -11.482 2.418 1.00 0.00 C ATOM 285 O THR A 18 4.255 -12.053 1.468 1.00 0.00 O ATOM 286 CB THR A 18 1.825 -10.081 1.572 1.00 0.00 C ATOM 287 OG1 THR A 18 0.866 -10.742 2.375 1.00 0.00 O ATOM 288 CG2 THR A 18 1.853 -10.770 0.224 1.00 0.00 C ATOM 0 H THR A 18 4.135 -9.435 0.509 1.00 0.00 H new ATOM 0 HA THR A 18 3.064 -9.616 3.261 1.00 0.00 H new ATOM 0 HB THR A 18 1.560 -9.035 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.120 -10.665 3.318 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.856 -10.750 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.551 -10.253 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.173 -11.804 0.351 1.00 0.00 H new ATOM 296 N GLU A 19 3.560 -12.053 3.604 1.00 0.00 N ATOM 297 CA GLU A 19 4.021 -13.413 3.861 1.00 0.00 C ATOM 298 C GLU A 19 2.850 -14.384 3.786 1.00 0.00 C ATOM 299 O GLU A 19 1.970 -14.370 4.646 1.00 0.00 O ATOM 300 CB GLU A 19 4.690 -13.499 5.234 1.00 0.00 C ATOM 301 CG GLU A 19 5.203 -14.887 5.576 1.00 0.00 C ATOM 302 CD GLU A 19 6.253 -15.377 4.599 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.303 -14.713 4.474 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.027 -16.427 3.962 1.00 0.00 O ATOM 0 H GLU A 19 3.118 -11.598 4.403 1.00 0.00 H new ATOM 0 HA GLU A 19 4.754 -13.683 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.522 -12.795 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.976 -13.187 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.624 -14.877 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.367 -15.587 5.587 1.00 0.00 H new ATOM 311 N ALA A 20 2.830 -15.221 2.751 1.00 0.00 N ATOM 312 CA ALA A 20 1.747 -16.178 2.580 1.00 0.00 C ATOM 313 C ALA A 20 2.236 -17.486 1.960 1.00 0.00 C ATOM 314 O ALA A 20 3.204 -17.508 1.199 1.00 0.00 O ATOM 315 CB ALA A 20 0.646 -15.565 1.728 1.00 0.00 C ATOM 0 H ALA A 20 3.546 -15.254 2.025 1.00 0.00 H new ATOM 0 HA ALA A 20 1.351 -16.416 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.162 -16.286 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.262 -14.671 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.048 -15.298 0.751 1.00 0.00 H new ATOM 321 N VAL A 21 1.562 -18.574 2.319 1.00 0.00 N ATOM 322 CA VAL A 21 1.916 -19.910 1.835 1.00 0.00 C ATOM 323 C VAL A 21 2.052 -19.944 0.313 1.00 0.00 C ATOM 324 O VAL A 21 2.918 -20.634 -0.225 1.00 0.00 O ATOM 325 CB VAL A 21 0.858 -20.944 2.259 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.320 -22.353 1.925 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.542 -20.809 3.741 1.00 0.00 C ATOM 0 H VAL A 21 0.760 -18.559 2.949 1.00 0.00 H new ATOM 0 HA VAL A 21 2.878 -20.160 2.281 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.057 -20.750 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.558 -23.068 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.484 -22.437 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.250 -22.565 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.208 -21.548 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.449 -20.973 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.158 -19.809 3.942 1.00 0.00 H new ATOM 337 N ASP A 22 1.200 -19.195 -0.375 1.00 0.00 N ATOM 338 CA ASP A 22 1.237 -19.141 -1.832 1.00 0.00 C ATOM 339 C ASP A 22 0.862 -17.756 -2.346 1.00 0.00 C ATOM 340 O ASP A 22 0.404 -16.903 -1.587 1.00 0.00 O ATOM 341 CB ASP A 22 0.311 -20.201 -2.436 1.00 0.00 C ATOM 342 CG ASP A 22 -1.091 -20.135 -1.871 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.250 -20.382 -0.658 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.029 -19.838 -2.639 1.00 0.00 O ATOM 0 H ASP A 22 0.476 -18.617 0.051 1.00 0.00 H new ATOM 0 HA ASP A 22 2.260 -19.351 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.270 -20.070 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.728 -21.191 -2.251 1.00 0.00 H new ATOM 349 N ALA A 23 1.069 -17.540 -3.642 1.00 0.00 N ATOM 350 CA ALA A 23 0.759 -16.257 -4.264 1.00 0.00 C ATOM 351 C ALA A 23 -0.690 -15.861 -4.025 1.00 0.00 C ATOM 352 O ALA A 23 -0.985 -14.700 -3.742 1.00 0.00 O ATOM 353 CB ALA A 23 1.061 -16.305 -5.755 1.00 0.00 C ATOM 0 H ALA A 23 1.450 -18.237 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 23 1.391 -15.498 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.825 -15.341 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.118 -16.527 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.457 -17.082 -6.224 1.00 0.00 H new ATOM 359 N ALA A 24 -1.592 -16.827 -4.133 1.00 0.00 N ATOM 360 CA ALA A 24 -3.006 -16.565 -3.917 1.00 0.00 C ATOM 361 C ALA A 24 -3.244 -16.108 -2.487 1.00 0.00 C ATOM 362 O ALA A 24 -3.802 -15.036 -2.258 1.00 0.00 O ATOM 363 CB ALA A 24 -3.837 -17.799 -4.237 1.00 0.00 C ATOM 0 H ALA A 24 -1.370 -17.794 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.318 -15.766 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.892 -17.581 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.686 -18.079 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.529 -18.622 -3.592 1.00 0.00 H new ATOM 369 N THR A 25 -2.789 -16.905 -1.522 1.00 0.00 N ATOM 370 CA THR A 25 -2.935 -16.540 -0.124 1.00 0.00 C ATOM 371 C THR A 25 -2.365 -15.147 0.082 1.00 0.00 C ATOM 372 O THR A 25 -2.979 -14.298 0.728 1.00 0.00 O ATOM 373 CB THR A 25 -2.229 -17.556 0.773 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.890 -17.751 0.367 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.911 -18.906 0.805 1.00 0.00 C ATOM 0 H THR A 25 -2.322 -17.797 -1.685 1.00 0.00 H new ATOM 0 HA THR A 25 -3.991 -16.541 0.146 1.00 0.00 H new ATOM 0 HB THR A 25 -2.270 -17.127 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.783 -17.453 -0.560 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.357 -19.578 1.461 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.928 -18.791 1.179 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.940 -19.323 -0.202 1.00 0.00 H new ATOM 383 N ALA A 26 -1.197 -14.909 -0.509 1.00 0.00 N ATOM 384 CA ALA A 26 -0.563 -13.604 -0.429 1.00 0.00 C ATOM 385 C ALA A 26 -1.491 -12.561 -1.033 1.00 0.00 C ATOM 386 O ALA A 26 -1.824 -11.563 -0.393 1.00 0.00 O ATOM 387 CB ALA A 26 0.778 -13.614 -1.146 1.00 0.00 C ATOM 0 H ALA A 26 -0.675 -15.602 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.377 -13.356 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.236 -12.628 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.433 -14.353 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.628 -13.869 -2.195 1.00 0.00 H new ATOM 393 N GLU A 27 -1.924 -12.808 -2.271 1.00 0.00 N ATOM 394 CA GLU A 27 -2.832 -11.902 -2.961 1.00 0.00 C ATOM 395 C GLU A 27 -4.032 -11.576 -2.081 1.00 0.00 C ATOM 396 O GLU A 27 -4.377 -10.411 -1.896 1.00 0.00 O ATOM 397 CB GLU A 27 -3.310 -12.522 -4.275 1.00 0.00 C ATOM 398 CG GLU A 27 -4.242 -11.625 -5.066 1.00 0.00 C ATOM 399 CD GLU A 27 -4.710 -12.263 -6.361 1.00 0.00 C ATOM 400 OE1 GLU A 27 -4.301 -13.409 -6.642 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.488 -11.615 -7.093 1.00 0.00 O ATOM 0 H GLU A 27 -1.658 -13.630 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.292 -10.981 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.443 -12.763 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.819 -13.461 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.109 -11.378 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.733 -10.687 -5.291 1.00 0.00 H new ATOM 408 N LYS A 28 -4.653 -12.615 -1.523 1.00 0.00 N ATOM 409 CA LYS A 28 -5.799 -12.431 -0.646 1.00 0.00 C ATOM 410 C LYS A 28 -5.402 -11.569 0.541 1.00 0.00 C ATOM 411 O LYS A 28 -6.112 -10.638 0.918 1.00 0.00 O ATOM 412 CB LYS A 28 -6.326 -13.782 -0.157 1.00 0.00 C ATOM 413 CG LYS A 28 -6.818 -14.682 -1.278 1.00 0.00 C ATOM 414 CD LYS A 28 -7.915 -14.007 -2.083 1.00 0.00 C ATOM 415 CE LYS A 28 -8.421 -14.910 -3.198 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.952 -16.197 -2.673 1.00 0.00 N ATOM 0 H LYS A 28 -4.380 -13.587 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.591 -11.934 -1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.535 -14.295 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.141 -13.612 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.986 -14.937 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.193 -15.616 -0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.742 -13.742 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.537 -13.078 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.204 -14.395 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.610 -15.111 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.496 -16.678 -3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.161 -16.803 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.571 -16.011 -1.858 1.00 0.00 H new ATOM 430 N VAL A 29 -4.245 -11.882 1.113 1.00 0.00 N ATOM 431 CA VAL A 29 -3.725 -11.136 2.246 1.00 0.00 C ATOM 432 C VAL A 29 -3.602 -9.662 1.903 1.00 0.00 C ATOM 433 O VAL A 29 -3.977 -8.797 2.694 1.00 0.00 O ATOM 434 CB VAL A 29 -2.349 -11.679 2.688 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.682 -10.741 3.680 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.495 -13.072 3.283 1.00 0.00 C ATOM 0 H VAL A 29 -3.649 -12.651 0.807 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.428 -11.257 3.070 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.711 -11.741 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.715 -11.149 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.538 -9.765 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.314 -10.635 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.516 -13.441 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.155 -13.030 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.918 -13.744 2.537 1.00 0.00 H new ATOM 446 N VAL A 30 -3.100 -9.382 0.710 1.00 0.00 N ATOM 447 CA VAL A 30 -2.964 -8.009 0.268 1.00 0.00 C ATOM 448 C VAL A 30 -4.351 -7.401 0.116 1.00 0.00 C ATOM 449 O VAL A 30 -4.620 -6.314 0.623 1.00 0.00 O ATOM 450 CB VAL A 30 -2.202 -7.913 -1.062 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.894 -6.462 -1.397 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.924 -8.741 -1.011 1.00 0.00 C ATOM 0 H VAL A 30 -2.784 -10.082 0.039 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.389 -7.460 1.014 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.836 -8.318 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.354 -6.414 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.826 -5.903 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.281 -6.028 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.399 -8.659 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.283 -8.372 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.174 -9.785 -0.823 1.00 0.00 H new ATOM 462 N LYS A 31 -5.245 -8.120 -0.575 1.00 0.00 N ATOM 463 CA LYS A 31 -6.614 -7.647 -0.764 1.00 0.00 C ATOM 464 C LYS A 31 -7.179 -7.155 0.559 1.00 0.00 C ATOM 465 O LYS A 31 -7.729 -6.059 0.648 1.00 0.00 O ATOM 466 CB LYS A 31 -7.522 -8.755 -1.316 1.00 0.00 C ATOM 467 CG LYS A 31 -7.164 -9.232 -2.716 1.00 0.00 C ATOM 468 CD LYS A 31 -6.768 -8.078 -3.616 1.00 0.00 C ATOM 469 CE LYS A 31 -7.032 -8.386 -5.082 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.219 -9.533 -5.564 1.00 0.00 N ATOM 0 H LYS A 31 -5.044 -9.022 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.585 -6.832 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.487 -9.607 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.550 -8.394 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.343 -9.947 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.015 -9.757 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.323 -7.185 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.710 -7.855 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.090 -8.607 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.809 -7.505 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.312 -9.615 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.221 -9.379 -5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.555 -10.409 -5.116 1.00 0.00 H new ATOM 484 N GLN A 32 -7.016 -7.976 1.588 1.00 0.00 N ATOM 485 CA GLN A 32 -7.489 -7.621 2.915 1.00 0.00 C ATOM 486 C GLN A 32 -6.739 -6.393 3.420 1.00 0.00 C ATOM 487 O GLN A 32 -7.303 -5.540 4.106 1.00 0.00 O ATOM 488 CB GLN A 32 -7.343 -8.820 3.868 1.00 0.00 C ATOM 489 CG GLN A 32 -7.383 -8.463 5.350 1.00 0.00 C ATOM 490 CD GLN A 32 -6.072 -7.897 5.891 1.00 0.00 C ATOM 491 OE1 GLN A 32 -6.007 -7.487 7.049 1.00 0.00 O ATOM 492 NE2 GLN A 32 -5.016 -7.880 5.076 1.00 0.00 N ATOM 0 H GLN A 32 -6.562 -8.887 1.528 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.548 -7.367 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.140 -9.533 3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.400 -9.324 3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.177 -7.734 5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.644 -9.354 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.103 -8.227 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.121 -7.520 5.408 1.00 0.00 H new ATOM 501 N PHE A 33 -5.462 -6.310 3.064 1.00 0.00 N ATOM 502 CA PHE A 33 -4.618 -5.191 3.463 1.00 0.00 C ATOM 503 C PHE A 33 -5.237 -3.867 3.006 1.00 0.00 C ATOM 504 O PHE A 33 -5.516 -2.987 3.818 1.00 0.00 O ATOM 505 CB PHE A 33 -3.215 -5.373 2.864 1.00 0.00 C ATOM 506 CG PHE A 33 -2.193 -4.395 3.367 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.588 -4.591 4.596 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.834 -3.283 2.614 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.647 -3.698 5.069 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.891 -2.388 3.086 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.300 -2.598 4.316 1.00 0.00 C ATOM 0 H PHE A 33 -4.986 -7.010 2.495 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.539 -5.166 4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.870 -6.384 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.282 -5.284 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.855 -5.452 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.296 -3.116 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.183 -3.862 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.618 -1.527 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.435 -1.899 4.688 1.00 0.00 H new ATOM 521 N PHE A 34 -5.460 -3.749 1.701 1.00 0.00 N ATOM 522 CA PHE A 34 -6.054 -2.543 1.123 1.00 0.00 C ATOM 523 C PHE A 34 -7.549 -2.473 1.392 1.00 0.00 C ATOM 524 O PHE A 34 -8.082 -1.412 1.716 1.00 0.00 O ATOM 525 CB PHE A 34 -5.760 -2.483 -0.371 1.00 0.00 C ATOM 526 CG PHE A 34 -4.288 -2.431 -0.646 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.479 -1.547 0.048 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.711 -3.275 -1.574 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.120 -1.507 -0.181 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.353 -3.238 -1.812 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.557 -2.352 -1.113 1.00 0.00 C ATOM 0 H PHE A 34 -5.238 -4.475 1.020 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.602 -1.675 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.191 -3.356 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.242 -1.605 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.917 -0.881 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.330 -3.972 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.498 -0.815 0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.913 -3.900 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.493 -2.321 -1.297 1.00 0.00 H new ATOM 541 N ASN A 35 -8.222 -3.610 1.285 1.00 0.00 N ATOM 542 CA ASN A 35 -9.656 -3.678 1.546 1.00 0.00 C ATOM 543 C ASN A 35 -9.973 -3.008 2.881 1.00 0.00 C ATOM 544 O ASN A 35 -10.996 -2.344 3.041 1.00 0.00 O ATOM 545 CB ASN A 35 -10.098 -5.141 1.591 1.00 0.00 C ATOM 546 CG ASN A 35 -11.570 -5.299 1.899 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.075 -4.759 2.883 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.257 -6.060 1.065 1.00 0.00 N ATOM 0 H ASN A 35 -7.799 -4.499 1.019 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.190 -3.160 0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.879 -5.611 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.515 -5.669 2.345 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.252 -6.221 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.793 -6.486 0.263 1.00 0.00 H new ATOM 555 N ASP A 36 -9.070 -3.212 3.833 1.00 0.00 N ATOM 556 CA ASP A 36 -9.215 -2.656 5.175 1.00 0.00 C ATOM 557 C ASP A 36 -8.486 -1.320 5.346 1.00 0.00 C ATOM 558 O ASP A 36 -8.862 -0.519 6.202 1.00 0.00 O ATOM 559 CB ASP A 36 -8.721 -3.658 6.216 1.00 0.00 C ATOM 560 CG ASP A 36 -9.524 -4.943 6.207 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.553 -5.620 5.158 1.00 0.00 O ATOM 562 OD2 ASP A 36 -10.128 -5.274 7.250 1.00 0.00 O ATOM 0 H ASP A 36 -8.222 -3.763 3.699 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.277 -2.461 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.672 -3.887 6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.775 -3.206 7.206 1.00 0.00 H new ATOM 567 N ASN A 37 -7.460 -1.062 4.534 1.00 0.00 N ATOM 568 CA ASN A 37 -6.733 0.206 4.630 1.00 0.00 C ATOM 569 C ASN A 37 -7.550 1.313 3.981 1.00 0.00 C ATOM 570 O ASN A 37 -7.669 2.416 4.520 1.00 0.00 O ATOM 571 CB ASN A 37 -5.356 0.127 3.957 1.00 0.00 C ATOM 572 CG ASN A 37 -4.368 -0.738 4.713 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.308 -0.700 5.943 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.556 -1.496 3.980 1.00 0.00 N ATOM 0 H ASN A 37 -7.118 -1.700 3.815 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.578 0.421 5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.475 -0.267 2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.948 1.133 3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.850 -2.075 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.640 -1.498 2.963 1.00 0.00 H new ATOM 581 N GLY A 38 -8.106 0.979 2.817 1.00 0.00 N ATOM 582 CA GLY A 38 -8.930 1.883 2.030 1.00 0.00 C ATOM 583 C GLY A 38 -9.242 3.226 2.667 1.00 0.00 C ATOM 584 O GLY A 38 -8.350 4.042 2.899 1.00 0.00 O ATOM 0 H GLY A 38 -7.992 0.059 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.430 2.062 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.872 1.382 1.806 1.00 0.00 H new ATOM 588 N VAL A 39 -10.532 3.483 2.859 1.00 0.00 N ATOM 589 CA VAL A 39 -10.995 4.768 3.375 1.00 0.00 C ATOM 590 C VAL A 39 -10.981 4.911 4.899 1.00 0.00 C ATOM 591 O VAL A 39 -10.417 5.876 5.415 1.00 0.00 O ATOM 592 CB VAL A 39 -12.413 5.074 2.852 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.924 6.399 3.406 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.429 5.086 1.332 1.00 0.00 C ATOM 0 H VAL A 39 -11.279 2.816 2.664 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.267 5.489 3.003 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.080 4.285 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.926 6.592 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.956 6.350 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.256 7.204 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.438 5.304 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.744 5.852 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.116 4.111 0.957 1.00 0.00 H new ATOM 604 N ASP A 40 -11.636 4.012 5.620 1.00 0.00 N ATOM 605 CA ASP A 40 -11.715 4.134 7.080 1.00 0.00 C ATOM 606 C ASP A 40 -10.568 3.449 7.819 1.00 0.00 C ATOM 607 O ASP A 40 -10.729 3.045 8.972 1.00 0.00 O ATOM 608 CB ASP A 40 -13.047 3.567 7.578 1.00 0.00 C ATOM 609 CG ASP A 40 -14.243 4.319 7.025 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.037 5.289 6.264 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.385 3.940 7.357 1.00 0.00 O ATOM 0 H ASP A 40 -12.116 3.200 5.231 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.638 5.199 7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.120 2.517 7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.070 3.605 8.667 1.00 0.00 H new ATOM 616 N GLY A 41 -9.413 3.327 7.182 1.00 0.00 N ATOM 617 CA GLY A 41 -8.284 2.697 7.844 1.00 0.00 C ATOM 618 C GLY A 41 -7.741 3.549 8.981 1.00 0.00 C ATOM 619 O GLY A 41 -7.927 4.767 8.990 1.00 0.00 O ATOM 0 H GLY A 41 -9.236 3.648 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.588 1.725 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.492 2.516 7.117 1.00 0.00 H new ATOM 623 N GLU A 42 -7.064 2.915 9.937 1.00 0.00 N ATOM 624 CA GLU A 42 -6.484 3.635 11.074 1.00 0.00 C ATOM 625 C GLU A 42 -5.089 4.140 10.720 1.00 0.00 C ATOM 626 O GLU A 42 -4.121 3.380 10.743 1.00 0.00 O ATOM 627 CB GLU A 42 -6.412 2.726 12.301 1.00 0.00 C ATOM 628 CG GLU A 42 -7.765 2.211 12.759 1.00 0.00 C ATOM 629 CD GLU A 42 -7.665 1.319 13.982 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.181 1.800 15.028 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.072 0.141 13.894 1.00 0.00 O ATOM 0 H GLU A 42 -6.903 1.908 9.949 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.123 4.487 11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.767 1.877 12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.945 3.273 13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.415 3.057 12.983 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.233 1.656 11.946 1.00 0.00 H new ATOM 638 N TRP A 43 -4.994 5.416 10.354 1.00 0.00 N ATOM 639 CA TRP A 43 -3.719 6.001 9.953 1.00 0.00 C ATOM 640 C TRP A 43 -3.118 6.909 11.022 1.00 0.00 C ATOM 641 O TRP A 43 -3.747 7.873 11.459 1.00 0.00 O ATOM 642 CB TRP A 43 -3.898 6.826 8.682 1.00 0.00 C ATOM 643 CG TRP A 43 -4.481 6.078 7.525 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.380 5.052 7.562 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.204 6.318 6.149 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.683 4.645 6.285 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.971 5.408 5.400 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.380 7.220 5.480 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.935 5.378 4.012 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.344 7.189 4.103 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.118 6.273 3.381 1.00 0.00 C ATOM 0 H TRP A 43 -5.783 6.062 10.327 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.039 5.165 9.791 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.540 7.678 8.906 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.928 7.226 8.386 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.793 4.623 8.463 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.332 3.898 6.038 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.781 7.930 6.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.531 4.673 3.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.709 7.882 3.572 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.068 6.274 2.302 1.00 0.00 H new ATOM 662 N THR A 44 -1.879 6.619 11.402 1.00 0.00 N ATOM 663 CA THR A 44 -1.162 7.433 12.375 1.00 0.00 C ATOM 664 C THR A 44 -0.056 8.205 11.660 1.00 0.00 C ATOM 665 O THR A 44 0.615 7.663 10.783 1.00 0.00 O ATOM 666 CB THR A 44 -0.574 6.558 13.484 1.00 0.00 C ATOM 667 OG1 THR A 44 0.291 5.577 12.942 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.625 5.842 14.303 1.00 0.00 C ATOM 0 H THR A 44 -1.349 5.822 11.049 1.00 0.00 H new ATOM 0 HA THR A 44 -1.855 8.135 12.837 1.00 0.00 H new ATOM 0 HB THR A 44 -0.034 7.244 14.137 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.049 6.016 12.503 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.140 5.240 15.071 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.279 6.574 14.776 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.214 5.195 13.653 1.00 0.00 H new ATOM 676 N TYR A 45 0.121 9.474 12.014 1.00 0.00 N ATOM 677 CA TYR A 45 1.137 10.302 11.370 1.00 0.00 C ATOM 678 C TYR A 45 2.260 10.665 12.337 1.00 0.00 C ATOM 679 O TYR A 45 2.024 10.913 13.519 1.00 0.00 O ATOM 680 CB TYR A 45 0.493 11.572 10.810 1.00 0.00 C ATOM 681 CG TYR A 45 1.426 12.414 9.965 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.380 11.823 9.146 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.348 13.800 9.986 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.231 12.591 8.372 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.194 14.575 9.215 1.00 0.00 C ATOM 686 CZ TYR A 45 3.133 13.965 8.410 1.00 0.00 C ATOM 687 OH TYR A 45 3.976 14.732 7.639 1.00 0.00 O ATOM 0 H TYR A 45 -0.420 9.949 12.737 1.00 0.00 H new ATOM 0 HA TYR A 45 1.575 9.726 10.555 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.373 11.294 10.209 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.125 12.176 11.639 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.458 10.746 9.113 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.614 14.281 10.615 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.968 12.116 7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.120 15.652 9.243 1.00 0.00 H new ATOM 0 HH TYR A 45 3.776 15.681 7.781 1.00 0.00 H new ATOM 697 N ASP A 46 3.486 10.703 11.818 1.00 0.00 N ATOM 698 CA ASP A 46 4.655 11.044 12.622 1.00 0.00 C ATOM 699 C ASP A 46 5.401 12.231 12.014 1.00 0.00 C ATOM 700 O ASP A 46 6.361 12.054 11.264 1.00 0.00 O ATOM 701 CB ASP A 46 5.592 9.838 12.735 1.00 0.00 C ATOM 702 CG ASP A 46 6.809 10.129 13.591 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.632 10.464 14.782 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.939 10.022 13.072 1.00 0.00 O ATOM 0 H ASP A 46 3.694 10.501 10.840 1.00 0.00 H new ATOM 0 HA ASP A 46 4.314 11.323 13.619 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.046 8.996 13.159 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.916 9.538 11.738 1.00 0.00 H new ATOM 709 N ASP A 47 4.949 13.440 12.337 1.00 0.00 N ATOM 710 CA ASP A 47 5.568 14.659 11.818 1.00 0.00 C ATOM 711 C ASP A 47 7.088 14.623 11.961 1.00 0.00 C ATOM 712 O ASP A 47 7.814 15.133 11.107 1.00 0.00 O ATOM 713 CB ASP A 47 5.012 15.885 12.547 1.00 0.00 C ATOM 714 CG ASP A 47 3.505 16.000 12.428 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.888 15.112 11.803 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.940 16.976 12.964 1.00 0.00 O ATOM 0 H ASP A 47 4.155 13.603 12.957 1.00 0.00 H new ATOM 0 HA ASP A 47 5.328 14.724 10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.287 15.832 13.601 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.475 16.785 12.142 1.00 0.00 H new ATOM 721 N ALA A 48 7.561 14.034 13.054 1.00 0.00 N ATOM 722 CA ALA A 48 8.994 13.947 13.325 1.00 0.00 C ATOM 723 C ALA A 48 9.774 13.411 12.127 1.00 0.00 C ATOM 724 O ALA A 48 10.926 13.791 11.910 1.00 0.00 O ATOM 725 CB ALA A 48 9.241 13.077 14.548 1.00 0.00 C ATOM 0 H ALA A 48 6.972 13.608 13.770 1.00 0.00 H new ATOM 0 HA ALA A 48 9.354 14.957 13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.312 13.018 14.742 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.739 13.513 15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.849 12.076 14.368 1.00 0.00 H new ATOM 731 N THR A 49 9.155 12.526 11.357 1.00 0.00 N ATOM 732 CA THR A 49 9.812 11.944 10.190 1.00 0.00 C ATOM 733 C THR A 49 8.955 12.075 8.932 1.00 0.00 C ATOM 734 O THR A 49 9.224 11.422 7.923 1.00 0.00 O ATOM 735 CB THR A 49 10.135 10.471 10.447 1.00 0.00 C ATOM 736 OG1 THR A 49 8.951 9.734 10.697 1.00 0.00 O ATOM 737 CG2 THR A 49 11.065 10.258 11.620 1.00 0.00 C ATOM 0 H THR A 49 8.203 12.195 11.517 1.00 0.00 H new ATOM 0 HA THR A 49 10.736 12.497 10.024 1.00 0.00 H new ATOM 0 HB THR A 49 10.633 10.123 9.542 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.855 9.586 11.661 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.253 9.192 11.747 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.008 10.773 11.435 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.606 10.656 12.525 1.00 0.00 H new ATOM 745 N LYS A 50 7.920 12.910 8.994 1.00 0.00 N ATOM 746 CA LYS A 50 7.031 13.101 7.849 1.00 0.00 C ATOM 747 C LYS A 50 6.581 11.755 7.290 1.00 0.00 C ATOM 748 O LYS A 50 6.400 11.601 6.079 1.00 0.00 O ATOM 749 CB LYS A 50 7.740 13.896 6.749 1.00 0.00 C ATOM 750 CG LYS A 50 7.974 15.358 7.090 1.00 0.00 C ATOM 751 CD LYS A 50 6.662 16.112 7.231 1.00 0.00 C ATOM 752 CE LYS A 50 6.889 17.611 7.341 1.00 0.00 C ATOM 753 NZ LYS A 50 5.612 18.352 7.533 1.00 0.00 N ATOM 0 H LYS A 50 7.677 13.461 9.817 1.00 0.00 H new ATOM 0 HA LYS A 50 6.157 13.657 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.700 13.426 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.149 13.838 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.539 15.430 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.580 15.822 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.026 15.902 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.131 15.758 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.558 17.817 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.386 17.970 6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.809 19.371 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.983 18.176 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.150 18.027 8.407 1.00 0.00 H new ATOM 767 N THR A 51 6.429 10.774 8.174 1.00 0.00 N ATOM 768 CA THR A 51 6.027 9.438 7.761 1.00 0.00 C ATOM 769 C THR A 51 4.644 9.074 8.292 1.00 0.00 C ATOM 770 O THR A 51 4.260 9.471 9.392 1.00 0.00 O ATOM 771 CB THR A 51 7.057 8.412 8.243 1.00 0.00 C ATOM 772 OG1 THR A 51 8.330 8.683 7.689 1.00 0.00 O ATOM 773 CG2 THR A 51 6.695 6.986 7.891 1.00 0.00 C ATOM 0 H THR A 51 6.578 10.880 9.177 1.00 0.00 H new ATOM 0 HA THR A 51 5.978 9.427 6.672 1.00 0.00 H new ATOM 0 HB THR A 51 7.071 8.506 9.329 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.588 9.605 7.897 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.467 6.312 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.739 6.730 8.348 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.617 6.887 6.808 1.00 0.00 H new ATOM 781 N PHE A 52 3.905 8.303 7.498 1.00 0.00 N ATOM 782 CA PHE A 52 2.566 7.862 7.873 1.00 0.00 C ATOM 783 C PHE A 52 2.534 6.342 8.002 1.00 0.00 C ATOM 784 O PHE A 52 3.090 5.633 7.167 1.00 0.00 O ATOM 785 CB PHE A 52 1.542 8.300 6.821 1.00 0.00 C ATOM 786 CG PHE A 52 1.593 9.762 6.475 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.718 10.307 5.877 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.510 10.589 6.735 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.763 11.648 5.547 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.551 11.931 6.405 1.00 0.00 C ATOM 791 CZ PHE A 52 1.679 12.461 5.812 1.00 0.00 C ATOM 0 H PHE A 52 4.214 7.969 6.585 1.00 0.00 H new ATOM 0 HA PHE A 52 2.311 8.317 8.830 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.701 7.719 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.542 8.059 7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.569 9.676 5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.375 10.180 7.200 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.646 12.060 5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.299 12.564 6.611 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.714 13.510 5.556 1.00 0.00 H new ATOM 801 N THR A 53 1.876 5.839 9.039 1.00 0.00 N ATOM 802 CA THR A 53 1.775 4.401 9.245 1.00 0.00 C ATOM 803 C THR A 53 0.327 3.929 9.234 1.00 0.00 C ATOM 804 O THR A 53 -0.517 4.445 9.966 1.00 0.00 O ATOM 805 CB THR A 53 2.454 3.982 10.548 1.00 0.00 C ATOM 806 OG1 THR A 53 2.203 4.921 11.577 1.00 0.00 O ATOM 807 CG2 THR A 53 3.953 3.811 10.417 1.00 0.00 C ATOM 0 H THR A 53 1.406 6.403 9.747 1.00 0.00 H new ATOM 0 HA THR A 53 2.292 3.924 8.412 1.00 0.00 H new ATOM 0 HB THR A 53 2.022 3.013 10.797 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.547 4.551 12.205 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.371 3.513 11.379 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.168 3.043 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.401 4.754 10.103 1.00 0.00 H new ATOM 815 N VAL A 54 0.061 2.925 8.406 1.00 0.00 N ATOM 816 CA VAL A 54 -1.270 2.347 8.297 1.00 0.00 C ATOM 817 C VAL A 54 -1.283 0.971 8.950 1.00 0.00 C ATOM 818 O VAL A 54 -0.710 0.018 8.421 1.00 0.00 O ATOM 819 CB VAL A 54 -1.721 2.230 6.826 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.116 1.631 6.736 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.677 3.593 6.149 1.00 0.00 C ATOM 0 H VAL A 54 0.756 2.493 7.797 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.968 3.009 8.809 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.032 1.563 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.414 1.558 5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.115 0.637 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.821 2.268 7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.998 3.495 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.343 4.280 6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.659 3.981 6.179 1.00 0.00 H new ATOM 831 N THR A 55 -1.917 0.877 10.114 1.00 0.00 N ATOM 832 CA THR A 55 -1.972 -0.383 10.844 1.00 0.00 C ATOM 833 C THR A 55 -3.244 -1.163 10.532 1.00 0.00 C ATOM 834 O THR A 55 -4.337 -0.791 10.957 1.00 0.00 O ATOM 835 CB THR A 55 -1.868 -0.138 12.347 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.813 0.762 12.637 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.605 -1.406 13.129 1.00 0.00 C ATOM 0 H THR A 55 -2.397 1.653 10.569 1.00 0.00 H new ATOM 0 HA THR A 55 -1.122 -0.982 10.518 1.00 0.00 H new ATOM 0 HB THR A 55 -2.832 0.274 12.645 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.764 0.907 13.605 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.541 -1.171 14.192 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.419 -2.112 12.962 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.666 -1.850 12.798 1.00 0.00 H new ATOM 845 N GLU A 56 -3.086 -2.255 9.790 1.00 0.00 N ATOM 846 CA GLU A 56 -4.210 -3.109 9.417 1.00 0.00 C ATOM 847 C GLU A 56 -5.025 -3.508 10.645 1.00 0.00 C ATOM 848 O GLU A 56 -4.417 -3.732 11.712 1.00 0.00 O ATOM 849 CB GLU A 56 -3.695 -4.361 8.698 1.00 0.00 C ATOM 850 CG GLU A 56 -4.778 -5.374 8.368 1.00 0.00 C ATOM 851 CD GLU A 56 -5.878 -4.789 7.509 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.576 -4.329 6.387 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.044 -4.796 7.956 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.267 -3.591 10.528 1.00 0.00 O ATOM 0 H GLU A 56 -2.184 -2.571 9.433 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.860 -2.548 8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.200 -4.060 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.941 -4.841 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.331 -6.223 7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.209 -5.755 9.294 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.013 18.677 -1.681 1.00 0.00 N ATOM 863 CA MET B 1 7.067 17.924 -0.953 1.00 0.00 C ATOM 864 C MET B 1 6.837 16.419 -1.057 1.00 0.00 C ATOM 865 O MET B 1 5.753 15.972 -1.430 1.00 0.00 O ATOM 866 CB MET B 1 7.054 18.362 0.515 1.00 0.00 C ATOM 867 CG MET B 1 8.138 17.708 1.358 1.00 0.00 C ATOM 868 SD MET B 1 8.139 18.296 3.063 1.00 0.00 S ATOM 869 CE MET B 1 9.483 17.333 3.751 1.00 0.00 C ATOM 0 H1 MET B 1 5.970 19.651 -1.319 1.00 0.00 H new ATOM 0 H2 MET B 1 6.237 18.694 -2.696 1.00 0.00 H new ATOM 0 H3 MET B 1 5.093 18.213 -1.537 1.00 0.00 H new ATOM 0 HA MET B 1 8.037 18.140 -1.400 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.172 19.444 0.563 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.080 18.128 0.946 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.997 16.627 1.350 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.111 17.905 0.909 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.609 17.584 4.804 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.256 16.271 3.656 1.00 0.00 H new ATOM 0 HE3 MET B 1 10.404 17.556 3.212 1.00 0.00 H new ATOM 881 N GLN B 2 7.859 15.644 -0.714 1.00 0.00 N ATOM 882 CA GLN B 2 7.765 14.190 -0.755 1.00 0.00 C ATOM 883 C GLN B 2 7.591 13.637 0.654 1.00 0.00 C ATOM 884 O GLN B 2 8.239 14.097 1.595 1.00 0.00 O ATOM 885 CB GLN B 2 9.014 13.590 -1.403 1.00 0.00 C ATOM 886 CG GLN B 2 8.982 12.071 -1.493 1.00 0.00 C ATOM 887 CD GLN B 2 10.220 11.471 -2.149 1.00 0.00 C ATOM 888 OE1 GLN B 2 11.164 12.314 -2.566 1.00 0.00 O flip ATOM 889 NE2 GLN B 2 10.326 10.251 -2.282 1.00 0.00 N flip ATOM 0 H GLN B 2 8.764 15.999 -0.404 1.00 0.00 H new ATOM 0 HA GLN B 2 6.897 13.916 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.127 14.003 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.891 13.894 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.877 11.658 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.100 11.768 -2.056 1.00 0.00 H new ATOM 0 HE21 GLN B 2 9.583 9.635 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.157 9.856 -2.723 1.00 0.00 H new ATOM 898 N TYR B 3 6.712 12.652 0.801 1.00 0.00 N ATOM 899 CA TYR B 3 6.461 12.051 2.105 1.00 0.00 C ATOM 900 C TYR B 3 6.683 10.545 2.067 1.00 0.00 C ATOM 901 O TYR B 3 6.423 9.891 1.055 1.00 0.00 O ATOM 902 CB TYR B 3 5.039 12.370 2.569 1.00 0.00 C ATOM 903 CG TYR B 3 4.788 13.850 2.747 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.756 14.706 1.652 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.587 14.394 4.010 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.529 16.060 1.812 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.361 15.746 4.177 1.00 0.00 C ATOM 908 CZ TYR B 3 4.334 16.575 3.077 1.00 0.00 C ATOM 909 OH TYR B 3 4.111 17.922 3.238 1.00 0.00 O ATOM 0 H TYR B 3 6.164 12.255 0.038 1.00 0.00 H new ATOM 0 HA TYR B 3 7.168 12.476 2.817 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.329 11.973 1.843 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.849 11.860 3.513 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.911 14.307 0.661 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.608 13.748 4.876 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.504 16.712 0.951 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.206 16.152 5.166 1.00 0.00 H new ATOM 0 HH TYR B 3 3.992 18.122 4.190 1.00 0.00 H new ATOM 919 N LYS B 4 7.169 10.003 3.180 1.00 0.00 N ATOM 920 CA LYS B 4 7.433 8.574 3.282 1.00 0.00 C ATOM 921 C LYS B 4 6.270 7.876 3.978 1.00 0.00 C ATOM 922 O LYS B 4 6.078 8.023 5.181 1.00 0.00 O ATOM 923 CB LYS B 4 8.734 8.347 4.060 1.00 0.00 C ATOM 924 CG LYS B 4 9.346 6.967 3.869 1.00 0.00 C ATOM 925 CD LYS B 4 8.422 5.856 4.339 1.00 0.00 C ATOM 926 CE LYS B 4 9.120 4.507 4.294 1.00 0.00 C ATOM 927 NZ LYS B 4 10.280 4.451 5.227 1.00 0.00 N ATOM 0 H LYS B 4 7.388 10.533 4.023 1.00 0.00 H new ATOM 0 HA LYS B 4 7.540 8.154 2.282 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.462 9.099 3.756 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.540 8.502 5.121 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.581 6.819 2.815 1.00 0.00 H new ATOM 0 HG3 LYS B 4 10.287 6.910 4.417 1.00 0.00 H new ATOM 0 HD2 LYS B 4 8.088 6.062 5.356 1.00 0.00 H new ATOM 0 HD3 LYS B 4 7.532 5.829 3.711 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.409 3.722 4.551 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.461 4.308 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.390 3.481 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.145 4.734 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.116 5.099 6.024 1.00 0.00 H new ATOM 941 N VAL B 5 5.492 7.122 3.213 1.00 0.00 N ATOM 942 CA VAL B 5 4.346 6.417 3.764 1.00 0.00 C ATOM 943 C VAL B 5 4.693 4.970 4.097 1.00 0.00 C ATOM 944 O VAL B 5 5.153 4.217 3.245 1.00 0.00 O ATOM 945 CB VAL B 5 3.150 6.448 2.790 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.951 5.721 3.380 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.790 7.883 2.434 1.00 0.00 C ATOM 0 H VAL B 5 5.634 6.984 2.212 1.00 0.00 H new ATOM 0 HA VAL B 5 4.067 6.932 4.683 1.00 0.00 H new ATOM 0 HB VAL B 5 3.440 5.930 1.876 1.00 0.00 H new ATOM 0 HG11 VAL B 5 1.121 5.757 2.675 1.00 0.00 H new ATOM 0 HG12 VAL B 5 2.216 4.682 3.576 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.656 6.203 4.312 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.944 7.886 1.746 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.523 8.427 3.340 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.645 8.366 1.960 1.00 0.00 H new ATOM 957 N ILE B 6 4.471 4.594 5.347 1.00 0.00 N ATOM 958 CA ILE B 6 4.754 3.244 5.811 1.00 0.00 C ATOM 959 C ILE B 6 3.450 2.462 5.990 1.00 0.00 C ATOM 960 O ILE B 6 2.538 2.913 6.675 1.00 0.00 O ATOM 961 CB ILE B 6 5.539 3.282 7.140 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.895 3.957 6.931 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.728 1.889 7.715 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.712 4.076 8.200 1.00 0.00 C ATOM 0 H ILE B 6 4.092 5.212 6.065 1.00 0.00 H new ATOM 0 HA ILE B 6 5.366 2.742 5.062 1.00 0.00 H new ATOM 0 HB ILE B 6 4.957 3.861 7.857 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.464 3.391 6.194 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.736 4.952 6.516 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.284 1.954 8.650 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.754 1.438 7.903 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.282 1.274 7.005 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.661 4.564 7.977 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.163 4.668 8.932 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.902 3.082 8.605 1.00 0.00 H new ATOM 976 N LEU B 7 3.360 1.300 5.349 1.00 0.00 N ATOM 977 CA LEU B 7 2.154 0.478 5.427 1.00 0.00 C ATOM 978 C LEU B 7 2.407 -0.778 6.266 1.00 0.00 C ATOM 979 O LEU B 7 3.043 -1.726 5.804 1.00 0.00 O ATOM 980 CB LEU B 7 1.707 0.099 4.010 1.00 0.00 C ATOM 981 CG LEU B 7 1.842 1.217 2.977 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.398 0.729 1.606 1.00 0.00 C ATOM 983 CD2 LEU B 7 1.041 2.437 3.405 1.00 0.00 C ATOM 0 H LEU B 7 4.104 0.907 4.772 1.00 0.00 H new ATOM 0 HA LEU B 7 1.363 1.049 5.913 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.292 -0.758 3.676 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.665 -0.220 4.046 1.00 0.00 H new ATOM 0 HG LEU B 7 2.891 1.506 2.912 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.500 1.537 0.882 1.00 0.00 H new ATOM 0 HD12 LEU B 7 2.019 -0.113 1.301 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.356 0.413 1.652 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.149 3.223 2.658 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.011 2.167 3.499 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.410 2.796 4.365 1.00 0.00 H new ATOM 995 N ASN B 8 1.913 -0.775 7.508 1.00 0.00 N ATOM 996 CA ASN B 8 2.097 -1.911 8.416 1.00 0.00 C ATOM 997 C ASN B 8 0.798 -2.672 8.653 1.00 0.00 C ATOM 998 O ASN B 8 -0.099 -2.181 9.330 1.00 0.00 O ATOM 999 CB ASN B 8 2.646 -1.436 9.762 1.00 0.00 C ATOM 1000 CG ASN B 8 4.019 -0.818 9.642 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.199 0.172 8.942 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.995 -1.403 10.325 1.00 0.00 N ATOM 0 H ASN B 8 1.384 0.000 7.907 1.00 0.00 H new ATOM 0 HA ASN B 8 2.808 -2.585 7.938 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.960 -0.707 10.194 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.690 -2.280 10.451 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.943 -1.030 10.280 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.797 -2.226 10.895 1.00 0.00 H new ATOM 1009 N GLY B 9 0.702 -3.875 8.100 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.497 -4.671 8.283 1.00 0.00 C ATOM 1011 C GLY B 9 -0.253 -5.902 9.131 1.00 0.00 C ATOM 1012 O GLY B 9 0.808 -6.049 9.735 1.00 0.00 O ATOM 0 H GLY B 9 1.428 -4.312 7.532 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.268 -4.059 8.751 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.879 -4.975 7.309 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.242 -6.788 9.177 1.00 0.00 N ATOM 1017 CA LYS B 10 -1.135 -8.014 9.955 1.00 0.00 C ATOM 1018 C LYS B 10 -0.162 -8.988 9.301 1.00 0.00 C ATOM 1019 O LYS B 10 0.790 -9.451 9.931 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.507 -8.675 10.099 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.520 -7.824 10.848 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.083 -7.577 12.282 1.00 0.00 C ATOM 1023 CE LYS B 10 -4.118 -6.766 13.046 1.00 0.00 C ATOM 1024 NZ LYS B 10 -3.712 -6.542 14.460 1.00 0.00 N ATOM 0 H LYS B 10 -2.128 -6.678 8.683 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.757 -7.753 10.944 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.898 -8.900 9.107 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.390 -9.626 10.619 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.647 -6.871 10.335 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -4.490 -8.321 10.842 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -2.923 -8.531 12.784 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.129 -7.050 12.287 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -4.263 -5.805 12.553 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -5.077 -7.284 13.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -4.443 -5.986 14.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -3.599 -7.459 14.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -2.810 -6.025 14.484 1.00 0.00 H new ATOM 1038 N THR B 11 -0.419 -9.308 8.038 1.00 0.00 N ATOM 1039 CA THR B 11 0.408 -10.237 7.290 1.00 0.00 C ATOM 1040 C THR B 11 1.112 -9.542 6.132 1.00 0.00 C ATOM 1041 O THR B 11 1.648 -10.198 5.240 1.00 0.00 O ATOM 1042 CB THR B 11 -0.469 -11.361 6.756 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.708 -10.847 6.305 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.765 -12.436 7.774 1.00 0.00 C ATOM 0 H THR B 11 -1.205 -8.930 7.508 1.00 0.00 H new ATOM 0 HA THR B 11 1.172 -10.637 7.956 1.00 0.00 H new ATOM 0 HB THR B 11 0.102 -11.810 5.943 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.354 -11.579 6.220 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.394 -13.202 7.321 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.169 -12.886 8.110 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.284 -11.997 8.626 1.00 0.00 H new ATOM 1052 N LEU B 12 1.096 -8.216 6.142 1.00 0.00 N ATOM 1053 CA LEU B 12 1.723 -7.450 5.080 1.00 0.00 C ATOM 1054 C LEU B 12 2.458 -6.234 5.636 1.00 0.00 C ATOM 1055 O LEU B 12 1.972 -5.560 6.543 1.00 0.00 O ATOM 1056 CB LEU B 12 0.666 -7.025 4.060 1.00 0.00 C ATOM 1057 CG LEU B 12 1.181 -6.179 2.902 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.360 -6.873 2.247 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.070 -5.925 1.893 1.00 0.00 C ATOM 0 H LEU B 12 0.657 -7.653 6.871 1.00 0.00 H new ATOM 0 HA LEU B 12 2.462 -8.081 4.586 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.197 -7.921 3.653 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.112 -6.465 4.579 1.00 0.00 H new ATOM 0 HG LEU B 12 1.513 -5.214 3.284 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.726 -6.265 1.419 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.156 -7.006 2.979 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.046 -7.847 1.871 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.455 -5.319 1.073 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.292 -6.876 1.503 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.750 -5.397 2.380 1.00 0.00 H new ATOM 1071 N LYS B 13 3.633 -5.966 5.079 1.00 0.00 N ATOM 1072 CA LYS B 13 4.447 -4.832 5.509 1.00 0.00 C ATOM 1073 C LYS B 13 5.186 -4.228 4.319 1.00 0.00 C ATOM 1074 O LYS B 13 5.588 -4.948 3.409 1.00 0.00 O ATOM 1075 CB LYS B 13 5.446 -5.275 6.578 1.00 0.00 C ATOM 1076 CG LYS B 13 4.793 -5.951 7.772 1.00 0.00 C ATOM 1077 CD LYS B 13 5.823 -6.390 8.799 1.00 0.00 C ATOM 1078 CE LYS B 13 5.168 -7.102 9.972 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.184 -6.231 10.674 1.00 0.00 N ATOM 0 H LYS B 13 4.045 -6.519 4.327 1.00 0.00 H new ATOM 0 HA LYS B 13 3.790 -4.073 5.934 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.165 -5.961 6.130 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.006 -4.406 6.923 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.085 -5.265 8.237 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.223 -6.817 7.434 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.549 -7.053 8.328 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.373 -5.521 9.160 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.666 -8.002 9.616 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.936 -7.423 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 3.913 -6.671 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.612 -5.301 10.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 3.339 -6.112 10.079 1.00 0.00 H new ATOM 1093 N GLY B 14 5.366 -2.911 4.326 1.00 0.00 N ATOM 1094 CA GLY B 14 6.058 -2.269 3.224 1.00 0.00 C ATOM 1095 C GLY B 14 6.283 -0.785 3.430 1.00 0.00 C ATOM 1096 O GLY B 14 6.027 -0.249 4.508 1.00 0.00 O ATOM 0 H GLY B 14 5.049 -2.284 5.065 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.022 -2.757 3.078 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.483 -2.417 2.310 1.00 0.00 H new ATOM 1100 N GLU B 15 6.766 -0.126 2.382 1.00 0.00 N ATOM 1101 CA GLU B 15 7.035 1.305 2.423 1.00 0.00 C ATOM 1102 C GLU B 15 6.683 1.953 1.088 1.00 0.00 C ATOM 1103 O GLU B 15 6.965 1.404 0.024 1.00 0.00 O ATOM 1104 CB GLU B 15 8.506 1.552 2.759 1.00 0.00 C ATOM 1105 CG GLU B 15 8.928 0.966 4.097 1.00 0.00 C ATOM 1106 CD GLU B 15 10.399 1.184 4.394 1.00 0.00 C ATOM 1107 OE1 GLU B 15 11.241 0.706 3.605 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.709 1.831 5.418 1.00 0.00 O ATOM 0 H GLU B 15 6.980 -0.566 1.487 1.00 0.00 H new ATOM 0 HA GLU B 15 6.415 1.754 3.199 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.127 1.125 1.972 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.694 2.626 2.766 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.331 1.416 4.890 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.715 -0.103 4.104 1.00 0.00 H new ATOM 1115 N THR B 16 6.057 3.121 1.154 1.00 0.00 N ATOM 1116 CA THR B 16 5.654 3.844 -0.044 1.00 0.00 C ATOM 1117 C THR B 16 5.923 5.342 0.101 1.00 0.00 C ATOM 1118 O THR B 16 6.235 5.819 1.191 1.00 0.00 O ATOM 1119 CB THR B 16 4.175 3.579 -0.346 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.653 4.584 -1.178 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.301 3.500 0.888 1.00 0.00 C ATOM 0 H THR B 16 5.817 3.589 2.028 1.00 0.00 H new ATOM 0 HA THR B 16 6.250 3.483 -0.882 1.00 0.00 H new ATOM 0 HB THR B 16 4.156 2.605 -0.835 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.807 4.279 -1.568 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.269 3.310 0.592 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.649 2.690 1.529 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.355 4.443 1.433 1.00 0.00 H new ATOM 1129 N THR B 17 5.826 6.075 -1.008 1.00 0.00 N ATOM 1130 CA THR B 17 6.085 7.512 -0.996 1.00 0.00 C ATOM 1131 C THR B 17 5.158 8.283 -1.936 1.00 0.00 C ATOM 1132 O THR B 17 5.163 8.069 -3.148 1.00 0.00 O ATOM 1133 CB THR B 17 7.536 7.775 -1.391 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.822 7.202 -2.654 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.538 7.227 -0.399 1.00 0.00 C ATOM 0 H THR B 17 5.571 5.699 -1.921 1.00 0.00 H new ATOM 0 HA THR B 17 5.893 7.865 0.017 1.00 0.00 H new ATOM 0 HB THR B 17 7.636 8.860 -1.417 1.00 0.00 H new ATOM 0 HG1 THR B 17 7.009 7.193 -3.201 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.548 7.449 -0.742 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.376 7.689 0.575 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.413 6.148 -0.314 1.00 0.00 H new ATOM 1143 N THR B 18 4.379 9.198 -1.363 1.00 0.00 N ATOM 1144 CA THR B 18 3.461 10.031 -2.135 1.00 0.00 C ATOM 1145 C THR B 18 4.029 11.440 -2.274 1.00 0.00 C ATOM 1146 O THR B 18 4.567 11.998 -1.317 1.00 0.00 O ATOM 1147 CB THR B 18 2.092 10.086 -1.455 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.161 10.770 -2.271 1.00 0.00 O ATOM 1149 CG2 THR B 18 2.117 10.775 -0.108 1.00 0.00 C ATOM 0 H THR B 18 4.366 9.382 -0.360 1.00 0.00 H new ATOM 0 HA THR B 18 3.342 9.594 -3.126 1.00 0.00 H new ATOM 0 HB THR B 18 1.800 9.047 -1.304 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.418 10.673 -3.212 1.00 0.00 H new ATOM 0 HG21 THR B 18 1.114 10.778 0.318 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.793 10.242 0.561 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.462 11.801 -0.231 1.00 0.00 H new ATOM 1157 N GLU B 19 3.903 12.015 -3.462 1.00 0.00 N ATOM 1158 CA GLU B 19 4.399 13.363 -3.712 1.00 0.00 C ATOM 1159 C GLU B 19 3.252 14.363 -3.654 1.00 0.00 C ATOM 1160 O GLU B 19 2.384 14.370 -4.526 1.00 0.00 O ATOM 1161 CB GLU B 19 5.089 13.432 -5.075 1.00 0.00 C ATOM 1162 CG GLU B 19 5.640 14.809 -5.410 1.00 0.00 C ATOM 1163 CD GLU B 19 6.689 15.273 -4.419 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.721 14.583 -4.279 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.480 16.327 -3.784 1.00 0.00 O ATOM 0 H GLU B 19 3.462 11.571 -4.267 1.00 0.00 H new ATOM 0 HA GLU B 19 5.126 13.615 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.904 12.709 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.379 13.136 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.073 14.790 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.822 15.529 -5.431 1.00 0.00 H new ATOM 1172 N ALA B 20 3.238 15.199 -2.620 1.00 0.00 N ATOM 1173 CA ALA B 20 2.175 16.182 -2.463 1.00 0.00 C ATOM 1174 C ALA B 20 2.688 17.478 -1.836 1.00 0.00 C ATOM 1175 O ALA B 20 3.645 17.478 -1.061 1.00 0.00 O ATOM 1176 CB ALA B 20 1.048 15.596 -1.627 1.00 0.00 C ATOM 0 H ALA B 20 3.945 15.215 -1.885 1.00 0.00 H new ATOM 0 HA ALA B 20 1.797 16.429 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.256 16.337 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.649 14.711 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.430 15.320 -0.644 1.00 0.00 H new ATOM 1182 N VAL B 21 2.045 18.582 -2.204 1.00 0.00 N ATOM 1183 CA VAL B 21 2.425 19.908 -1.716 1.00 0.00 C ATOM 1184 C VAL B 21 2.540 19.942 -0.190 1.00 0.00 C ATOM 1185 O VAL B 21 3.416 20.610 0.358 1.00 0.00 O ATOM 1186 CB VAL B 21 1.398 20.969 -2.154 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.890 22.367 -1.814 1.00 0.00 C ATOM 1188 CG2 VAL B 21 1.100 20.842 -3.641 1.00 0.00 C ATOM 0 H VAL B 21 1.251 18.586 -2.844 1.00 0.00 H new ATOM 0 HA VAL B 21 3.400 20.131 -2.150 1.00 0.00 H new ATOM 0 HB VAL B 21 0.471 20.797 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL B 21 1.149 23.101 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL B 21 2.042 22.448 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.832 22.556 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.372 21.600 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.019 20.984 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.695 19.851 -3.848 1.00 0.00 H new ATOM 1198 N ASP B 22 1.661 19.212 0.484 1.00 0.00 N ATOM 1199 CA ASP B 22 1.677 19.159 1.943 1.00 0.00 C ATOM 1200 C ASP B 22 1.260 17.784 2.451 1.00 0.00 C ATOM 1201 O ASP B 22 0.792 16.941 1.684 1.00 0.00 O ATOM 1202 CB ASP B 22 0.768 20.240 2.533 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.628 20.209 1.948 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.764 20.459 0.733 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.584 19.935 2.703 1.00 0.00 O ATOM 0 H ASP B 22 0.930 18.650 0.048 1.00 0.00 H new ATOM 0 HA ASP B 22 2.700 19.345 2.270 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.708 20.109 3.613 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.211 21.220 2.354 1.00 0.00 H new ATOM 1210 N ALA B 23 1.442 17.562 3.750 1.00 0.00 N ATOM 1211 CA ALA B 23 1.094 16.287 4.366 1.00 0.00 C ATOM 1212 C ALA B 23 -0.361 15.925 4.107 1.00 0.00 C ATOM 1213 O ALA B 23 -0.680 14.774 3.820 1.00 0.00 O ATOM 1214 CB ALA B 23 1.376 16.329 5.861 1.00 0.00 C ATOM 0 H ALA B 23 1.829 18.250 4.396 1.00 0.00 H new ATOM 0 HA ALA B 23 1.714 15.514 3.912 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.112 15.371 6.308 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.435 16.527 6.026 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.783 17.120 6.321 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.239 16.915 4.203 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.659 16.687 3.966 1.00 0.00 C ATOM 1222 C ALA B 24 -2.886 16.235 2.533 1.00 0.00 C ATOM 1223 O ALA B 24 -3.467 15.176 2.296 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.464 17.940 4.274 1.00 0.00 C ATOM 0 H ALA B 24 -0.996 17.877 4.441 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.001 15.897 4.635 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.521 17.748 4.090 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.322 18.216 5.319 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.127 18.755 3.634 1.00 0.00 H new ATOM 1230 N THR B 25 -2.398 17.020 1.573 1.00 0.00 N ATOM 1231 CA THR B 25 -2.534 16.660 0.174 1.00 0.00 C ATOM 1232 C THR B 25 -1.995 15.253 -0.024 1.00 0.00 C ATOM 1233 O THR B 25 -2.621 14.420 -0.678 1.00 0.00 O ATOM 1234 CB THR B 25 -1.791 17.657 -0.714 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.453 17.820 -0.288 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.439 19.025 -0.754 1.00 0.00 C ATOM 0 H THR B 25 -1.910 17.900 1.742 1.00 0.00 H new ATOM 0 HA THR B 25 -3.586 16.688 -0.110 1.00 0.00 H new ATOM 0 HB THR B 25 -1.829 17.229 -1.716 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.366 17.519 0.641 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.860 19.683 -1.402 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.454 18.936 -1.141 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.470 19.443 0.252 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.842 14.985 0.584 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.239 13.667 0.512 1.00 0.00 C ATOM 1246 C ALA B 26 -1.201 12.646 1.103 1.00 0.00 C ATOM 1247 O ALA B 26 -1.547 11.657 0.459 1.00 0.00 O ATOM 1248 CB ALA B 26 1.092 13.644 1.248 1.00 0.00 C ATOM 0 H ALA B 26 -0.312 15.664 1.129 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.044 13.415 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.527 12.647 1.182 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.771 14.367 0.795 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.933 13.902 2.295 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.644 12.904 2.336 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.585 12.021 3.012 1.00 0.00 C ATOM 1256 C GLU B 27 -3.778 11.724 2.116 1.00 0.00 C ATOM 1257 O GLU B 27 -4.149 10.567 1.924 1.00 0.00 O ATOM 1258 CB GLU B 27 -3.064 12.653 4.318 1.00 0.00 C ATOM 1259 CG GLU B 27 -4.030 11.779 5.097 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.501 12.428 6.385 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -4.067 13.563 6.673 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.303 11.798 7.106 1.00 0.00 O ATOM 0 H GLU B 27 -1.364 13.718 2.883 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.073 11.086 3.237 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.199 12.872 4.944 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.546 13.605 4.096 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.894 11.553 4.472 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.548 10.829 5.329 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.365 12.778 1.549 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.504 12.621 0.655 1.00 0.00 C ATOM 1271 C LYS B 28 -5.111 11.749 -0.526 1.00 0.00 C ATOM 1272 O LYS B 28 -5.840 10.837 -0.913 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.991 13.985 0.160 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.477 14.895 1.273 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.602 14.248 2.062 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.101 15.162 3.170 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.593 16.462 2.638 1.00 0.00 N ATOM 0 H LYS B 28 -4.070 13.744 1.694 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.316 12.143 1.202 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.180 14.479 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.800 13.835 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.649 15.130 1.942 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.822 15.838 0.850 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.426 14.005 1.391 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.253 13.309 2.492 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.904 14.666 3.716 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.296 15.343 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.135 16.956 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.783 17.049 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.205 16.291 1.814 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.938 12.034 -1.082 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.421 11.275 -2.207 1.00 0.00 C ATOM 1293 C VAL B 29 -3.338 9.799 -1.862 1.00 0.00 C ATOM 1294 O VAL B 29 -3.723 8.943 -2.659 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.027 11.786 -2.630 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.369 10.830 -3.612 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.128 13.181 -3.225 1.00 0.00 C ATOM 0 H VAL B 29 -3.328 12.789 -0.768 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.110 11.411 -3.041 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.401 11.835 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.389 11.215 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.255 9.851 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.991 10.738 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.136 13.525 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.776 13.157 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.545 13.863 -2.484 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.861 9.507 -0.663 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.764 8.132 -0.220 1.00 0.00 C ATOM 1309 C VAL B 30 -4.168 7.557 -0.086 1.00 0.00 C ATOM 1310 O VAL B 30 -4.456 6.477 -0.598 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.023 8.018 1.122 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.756 6.558 1.461 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.725 8.812 1.089 1.00 0.00 C ATOM 0 H VAL B 30 -2.538 10.199 0.013 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.192 7.570 -0.959 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.657 8.440 1.902 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.231 6.496 2.414 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.702 6.022 1.533 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.143 6.109 0.679 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.216 8.718 2.048 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.082 8.426 0.298 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.946 9.862 0.897 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.053 8.297 0.592 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.437 7.858 0.760 1.00 0.00 C ATOM 1325 C LYS B 31 -6.994 7.381 -0.570 1.00 0.00 C ATOM 1326 O LYS B 31 -7.569 6.298 -0.666 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.325 8.987 1.301 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.975 9.456 2.705 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.621 8.294 3.610 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.897 8.608 5.073 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.063 9.735 5.567 1.00 0.00 N ATOM 0 H LYS B 31 -4.836 9.193 1.028 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.439 7.041 1.482 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.261 9.838 0.622 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.362 8.650 1.293 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.136 10.150 2.659 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.818 10.003 3.127 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.194 7.415 3.313 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.567 8.045 3.485 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.951 8.855 5.198 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.703 7.722 5.677 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.101 9.765 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.079 9.599 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.425 10.630 5.181 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.796 8.196 -1.598 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.260 7.853 -2.931 1.00 0.00 C ATOM 1347 C GLN B 32 -6.533 6.607 -3.425 1.00 0.00 C ATOM 1348 O GLN B 32 -7.107 5.768 -4.118 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.071 9.047 -3.881 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.098 8.692 -5.362 1.00 0.00 C ATOM 1351 CD GLN B 32 -5.795 8.093 -5.886 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -5.723 7.681 -7.045 1.00 0.00 O ATOM 1353 NE2 GLN B 32 -4.750 8.051 -5.057 1.00 0.00 N ATOM 0 H GLN B 32 -6.319 9.095 -1.533 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.326 7.626 -2.903 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.854 9.779 -3.682 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.119 9.528 -3.654 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.908 7.984 -5.540 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.328 9.590 -5.935 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -4.842 8.400 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -3.860 7.670 -5.377 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.263 6.492 -3.051 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.441 5.354 -3.437 1.00 0.00 C ATOM 1364 C PHE B 33 -5.098 4.046 -2.991 1.00 0.00 C ATOM 1365 O PHE B 33 -5.388 3.172 -3.806 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.042 5.502 -2.818 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.038 4.499 -3.308 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.410 4.680 -4.528 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.717 3.379 -2.549 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.485 3.765 -4.986 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.789 2.461 -3.009 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.175 2.657 -4.230 1.00 0.00 C ATOM 0 H PHE B 33 -4.778 7.181 -2.476 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.346 5.328 -4.523 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.669 6.504 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.126 5.414 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.647 5.547 -5.128 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.195 3.224 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.003 3.918 -5.940 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.546 1.593 -2.414 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.548 1.941 -4.592 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.343 3.932 -1.689 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.973 2.741 -1.118 1.00 0.00 C ATOM 1384 C PHE B 34 -7.466 2.708 -1.409 1.00 0.00 C ATOM 1385 O PHE B 34 -8.020 1.660 -1.741 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.701 2.674 0.379 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.236 2.586 0.675 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.439 1.684 -0.007 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.652 3.417 1.611 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.085 1.611 0.242 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.299 3.347 1.868 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.515 2.441 1.181 1.00 0.00 C ATOM 0 H PHE B 34 -5.114 4.653 -1.005 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.535 1.861 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.117 3.557 0.864 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.210 1.808 0.802 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.883 1.030 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.262 4.129 2.147 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.473 0.904 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.853 3.999 2.605 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.455 2.384 1.380 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.112 3.862 -1.309 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.540 3.964 -1.592 1.00 0.00 C ATOM 1404 C ASN B 35 -9.855 3.302 -2.932 1.00 0.00 C ATOM 1405 O ASN B 35 -10.891 2.662 -3.106 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.946 5.437 -1.643 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.410 5.631 -1.972 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.914 5.104 -2.962 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.090 6.410 -1.148 1.00 0.00 N ATOM 0 H ASN B 35 -7.672 4.740 -1.035 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.097 3.458 -0.804 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.730 5.902 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.340 5.951 -2.389 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.078 6.596 -1.321 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.627 6.825 -0.339 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.934 3.483 -3.871 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.074 2.931 -5.216 1.00 0.00 C ATOM 1418 C ASP B 36 -8.374 1.577 -5.377 1.00 0.00 C ATOM 1419 O ASP B 36 -8.758 0.785 -6.236 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.541 3.919 -6.248 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.314 5.225 -6.251 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.338 5.902 -5.202 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.892 5.570 -7.303 1.00 0.00 O ATOM 0 H ASP B 36 -8.074 4.012 -3.725 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.138 2.763 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.490 4.122 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.591 3.468 -7.239 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.367 1.294 -4.548 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.670 0.009 -4.636 1.00 0.00 C ATOM 1430 C ASN B 37 -7.523 -1.078 -3.999 1.00 0.00 C ATOM 1431 O ASN B 37 -7.660 -2.176 -4.539 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.301 0.054 -3.942 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.280 0.896 -4.686 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.205 0.857 -5.914 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.462 1.634 -3.940 1.00 0.00 N ATOM 0 H ASN B 37 -7.021 1.922 -3.823 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.506 -0.209 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.425 0.451 -2.934 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.919 -0.962 -3.840 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.737 2.198 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.560 1.636 -2.925 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.086 -0.729 -2.842 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.944 -1.613 -2.067 1.00 0.00 C ATOM 1444 C GLY B 38 -9.280 -2.949 -2.708 1.00 0.00 C ATOM 1445 O GLY B 38 -8.403 -3.785 -2.928 1.00 0.00 O ATOM 0 H GLY B 38 -7.955 0.188 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.463 -1.804 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.876 -1.089 -1.857 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.573 -3.175 -2.919 1.00 0.00 N ATOM 1450 CA VAL B 39 -11.060 -4.448 -3.441 1.00 0.00 C ATOM 1451 C VAL B 39 -11.027 -4.591 -4.964 1.00 0.00 C ATOM 1452 O VAL B 39 -10.479 -5.569 -5.474 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.492 -4.720 -2.940 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -13.026 -6.031 -3.499 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.530 -4.730 -1.419 1.00 0.00 C ATOM 0 H VAL B 39 -11.306 -2.490 -2.736 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.356 -5.187 -3.057 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.135 -3.916 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -14.038 -6.199 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.040 -5.983 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.383 -6.851 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.548 -4.923 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.869 -5.511 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.200 -3.763 -1.040 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.650 -3.677 -5.695 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.711 -3.796 -7.155 1.00 0.00 C ATOM 1467 C ASP B 40 -10.537 -3.140 -7.879 1.00 0.00 C ATOM 1468 O ASP B 40 -10.671 -2.733 -9.032 1.00 0.00 O ATOM 1469 CB ASP B 40 -13.021 -3.198 -7.672 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.243 -3.920 -7.137 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.072 -4.894 -6.373 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.371 -3.513 -7.485 1.00 0.00 O ATOM 0 H ASP B 40 -12.116 -2.854 -5.313 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.657 -4.863 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -13.072 -2.146 -7.390 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.029 -3.236 -8.761 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.389 -3.045 -7.225 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.235 -2.444 -7.870 1.00 0.00 C ATOM 1479 C GLY B 41 -7.699 -3.310 -9.001 1.00 0.00 C ATOM 1480 O GLY B 41 -7.913 -4.521 -9.013 1.00 0.00 O ATOM 0 H GLY B 41 -9.234 -3.368 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.508 -1.464 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.449 -2.285 -7.132 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.991 -2.693 -9.947 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.413 -3.427 -11.076 1.00 0.00 C ATOM 1486 C GLU B 42 -5.036 -3.965 -10.703 1.00 0.00 C ATOM 1487 O GLU B 42 -4.049 -3.228 -10.712 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.303 -2.520 -12.302 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.637 -1.970 -12.780 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.498 -1.083 -14.000 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -7.009 -1.575 -15.040 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -7.875 0.106 -13.918 1.00 0.00 O ATOM 0 H GLU B 42 -6.804 -1.690 -9.956 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.069 -4.264 -11.317 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.640 -1.687 -12.068 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.838 -3.078 -13.115 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.305 -2.799 -13.012 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.102 -1.402 -11.974 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.978 -5.244 -10.336 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.722 -5.858 -9.916 1.00 0.00 C ATOM 1501 C TRP B 43 -3.129 -6.781 -10.976 1.00 0.00 C ATOM 1502 O TRP B 43 -3.775 -7.729 -11.422 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.939 -6.678 -8.648 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.521 -5.915 -7.500 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.394 -4.868 -7.548 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.268 -6.163 -6.119 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.706 -4.454 -6.275 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.023 -5.235 -5.382 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.476 -7.083 -5.439 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.007 -5.205 -3.993 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.459 -7.054 -4.062 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.221 -6.120 -3.349 1.00 0.00 C ATOM 0 H TRP B 43 -5.782 -5.871 -10.321 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.025 -5.038 -9.744 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.598 -7.515 -8.881 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.984 -7.101 -8.338 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.783 -4.428 -8.454 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.340 -3.692 -6.036 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.885 -7.807 -5.981 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.594 -4.485 -3.442 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.848 -7.763 -3.523 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.187 -6.122 -2.270 1.00 0.00 H new ATOM 1523 N THR B 44 -1.877 -6.521 -11.338 1.00 0.00 N ATOM 1524 CA THR B 44 -1.168 -7.351 -12.302 1.00 0.00 C ATOM 1525 C THR B 44 -0.091 -8.151 -11.572 1.00 0.00 C ATOM 1526 O THR B 44 0.581 -7.624 -10.684 1.00 0.00 O ATOM 1527 CB THR B 44 -0.542 -6.491 -13.402 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.338 -5.532 -12.849 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.564 -5.751 -14.236 1.00 0.00 C ATOM 0 H THR B 44 -1.332 -5.739 -10.976 1.00 0.00 H new ATOM 0 HA THR B 44 -1.873 -8.034 -12.775 1.00 0.00 H new ATOM 0 HB THR B 44 -0.008 -7.190 -14.046 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.025 -5.986 -12.318 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.054 -5.161 -14.997 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.228 -6.468 -14.718 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.147 -5.090 -13.595 1.00 0.00 H new ATOM 1537 N TYR B 45 0.061 -9.422 -11.924 1.00 0.00 N ATOM 1538 CA TYR B 45 1.047 -10.276 -11.266 1.00 0.00 C ATOM 1539 C TYR B 45 2.176 -10.666 -12.217 1.00 0.00 C ATOM 1540 O TYR B 45 1.949 -10.909 -13.402 1.00 0.00 O ATOM 1541 CB TYR B 45 0.366 -11.530 -10.713 1.00 0.00 C ATOM 1542 CG TYR B 45 1.265 -12.395 -9.857 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.222 -11.827 -9.023 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.153 -13.778 -9.878 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.042 -12.614 -8.238 1.00 0.00 C ATOM 1546 CE2 TYR B 45 1.969 -14.573 -9.096 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.911 -13.986 -8.278 1.00 0.00 C ATOM 1548 OH TYR B 45 3.725 -14.774 -7.496 1.00 0.00 O ATOM 0 H TYR B 45 -0.480 -9.883 -12.655 1.00 0.00 H new ATOM 0 HA TYR B 45 1.486 -9.710 -10.444 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.500 -11.230 -10.123 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.007 -12.125 -11.546 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.326 -10.753 -8.989 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.415 -14.241 -10.517 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.781 -12.157 -7.597 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.869 -15.648 -9.125 1.00 0.00 H new ATOM 0 HH TYR B 45 3.504 -15.718 -7.641 1.00 0.00 H new ATOM 1558 N ASP B 46 3.392 -10.733 -11.680 1.00 0.00 N ATOM 1559 CA ASP B 46 4.563 -11.102 -12.468 1.00 0.00 C ATOM 1560 C ASP B 46 5.271 -12.308 -11.849 1.00 0.00 C ATOM 1561 O ASP B 46 6.225 -12.153 -11.084 1.00 0.00 O ATOM 1562 CB ASP B 46 5.530 -9.921 -12.568 1.00 0.00 C ATOM 1563 CG ASP B 46 6.753 -10.242 -13.406 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.583 -10.572 -14.599 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.877 -10.163 -12.870 1.00 0.00 O ATOM 0 H ASP B 46 3.591 -10.536 -10.699 1.00 0.00 H new ATOM 0 HA ASP B 46 4.230 -11.371 -13.470 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.011 -9.066 -13.001 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.846 -9.628 -11.567 1.00 0.00 H new ATOM 1570 N ASP B 47 4.796 -13.506 -12.178 1.00 0.00 N ATOM 1571 CA ASP B 47 5.377 -14.739 -11.649 1.00 0.00 C ATOM 1572 C ASP B 47 6.899 -14.742 -11.772 1.00 0.00 C ATOM 1573 O ASP B 47 7.600 -15.269 -10.909 1.00 0.00 O ATOM 1574 CB ASP B 47 4.801 -15.951 -12.387 1.00 0.00 C ATOM 1575 CG ASP B 47 3.290 -16.031 -12.290 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.686 -15.127 -11.674 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.710 -16.993 -12.834 1.00 0.00 O ATOM 0 H ASP B 47 4.008 -13.651 -12.810 1.00 0.00 H new ATOM 0 HA ASP B 47 5.121 -14.796 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.092 -15.904 -13.436 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.236 -16.862 -11.976 1.00 0.00 H new ATOM 1582 N ALA B 48 7.402 -14.164 -12.858 1.00 0.00 N ATOM 1583 CA ALA B 48 8.839 -14.112 -13.109 1.00 0.00 C ATOM 1584 C ALA B 48 9.616 -13.594 -11.901 1.00 0.00 C ATOM 1585 O ALA B 48 10.754 -14.002 -11.668 1.00 0.00 O ATOM 1586 CB ALA B 48 9.126 -13.248 -14.328 1.00 0.00 C ATOM 0 H ALA B 48 6.834 -13.723 -13.581 1.00 0.00 H new ATOM 0 HA ALA B 48 9.175 -15.132 -13.298 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.201 -13.216 -14.506 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.626 -13.671 -15.199 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.757 -12.237 -14.153 1.00 0.00 H new ATOM 1592 N THR B 49 9.006 -12.693 -11.139 1.00 0.00 N ATOM 1593 CA THR B 49 9.663 -12.128 -9.963 1.00 0.00 C ATOM 1594 C THR B 49 8.783 -12.236 -8.718 1.00 0.00 C ATOM 1595 O THR B 49 9.054 -11.591 -7.705 1.00 0.00 O ATOM 1596 CB THR B 49 10.023 -10.664 -10.214 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.862 -9.899 -10.483 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.977 -10.473 -11.375 1.00 0.00 C ATOM 0 H THR B 49 8.065 -12.339 -11.311 1.00 0.00 H new ATOM 0 HA THR B 49 10.571 -12.703 -9.785 1.00 0.00 H new ATOM 0 HB THR B 49 10.514 -10.328 -9.301 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.705 -9.871 -11.450 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.191 -9.411 -11.499 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.905 -11.010 -11.176 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.522 -10.860 -12.287 1.00 0.00 H new ATOM 1606 N LYS B 50 7.730 -13.047 -8.794 1.00 0.00 N ATOM 1607 CA LYS B 50 6.823 -13.217 -7.661 1.00 0.00 C ATOM 1608 C LYS B 50 6.397 -11.860 -7.108 1.00 0.00 C ATOM 1609 O LYS B 50 6.202 -11.701 -5.901 1.00 0.00 O ATOM 1610 CB LYS B 50 7.495 -14.029 -6.552 1.00 0.00 C ATOM 1611 CG LYS B 50 7.698 -15.496 -6.889 1.00 0.00 C ATOM 1612 CD LYS B 50 6.370 -16.218 -7.049 1.00 0.00 C ATOM 1613 CE LYS B 50 6.563 -17.722 -7.157 1.00 0.00 C ATOM 1614 NZ LYS B 50 5.271 -18.432 -7.366 1.00 0.00 N ATOM 0 H LYS B 50 7.485 -13.592 -9.620 1.00 0.00 H new ATOM 0 HA LYS B 50 5.942 -13.753 -8.013 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.463 -13.582 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.892 -13.956 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.274 -15.583 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.281 -15.974 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS B 50 5.727 -15.993 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS B 50 5.860 -15.851 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.237 -17.943 -7.984 1.00 0.00 H new ATOM 0 HE3 LYS B 50 7.039 -18.093 -6.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 5.444 -19.455 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 4.636 -18.241 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 4.829 -18.096 -8.245 1.00 0.00 H new ATOM 1628 N THR B 51 6.281 -10.876 -7.994 1.00 0.00 N ATOM 1629 CA THR B 51 5.906 -9.530 -7.588 1.00 0.00 C ATOM 1630 C THR B 51 4.538 -9.132 -8.137 1.00 0.00 C ATOM 1631 O THR B 51 4.161 -9.521 -9.243 1.00 0.00 O ATOM 1632 CB THR B 51 6.965 -8.530 -8.056 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.225 -8.832 -7.482 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.634 -7.096 -7.708 1.00 0.00 C ATOM 0 H THR B 51 6.441 -10.987 -8.995 1.00 0.00 H new ATOM 0 HA THR B 51 5.844 -9.518 -6.500 1.00 0.00 H new ATOM 0 HB THR B 51 6.990 -8.624 -9.142 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.464 -9.760 -7.687 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.427 -6.442 -8.069 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.691 -6.816 -8.177 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.545 -6.995 -6.626 1.00 0.00 H new ATOM 1642 N PHE B 52 3.807 -8.344 -7.354 1.00 0.00 N ATOM 1643 CA PHE B 52 2.485 -7.871 -7.748 1.00 0.00 C ATOM 1644 C PHE B 52 2.492 -6.350 -7.877 1.00 0.00 C ATOM 1645 O PHE B 52 3.053 -5.655 -7.035 1.00 0.00 O ATOM 1646 CB PHE B 52 1.435 -8.283 -6.710 1.00 0.00 C ATOM 1647 CG PHE B 52 1.446 -9.747 -6.364 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.548 -10.319 -5.750 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.349 -10.546 -6.639 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.557 -11.661 -5.419 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.351 -11.889 -6.310 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.457 -12.447 -5.700 1.00 0.00 C ATOM 0 H PHE B 52 4.111 -8.018 -6.437 1.00 0.00 H new ATOM 0 HA PHE B 52 2.233 -8.320 -8.709 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.595 -7.706 -5.800 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.447 -8.018 -7.086 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.411 -9.709 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.519 -10.115 -7.116 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.423 -12.094 -4.941 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.511 -12.501 -6.530 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.462 -13.496 -5.443 1.00 0.00 H new ATOM 1662 N THR B 53 1.860 -5.834 -8.923 1.00 0.00 N ATOM 1663 CA THR B 53 1.797 -4.391 -9.130 1.00 0.00 C ATOM 1664 C THR B 53 0.362 -3.884 -9.140 1.00 0.00 C ATOM 1665 O THR B 53 -0.484 -4.380 -9.886 1.00 0.00 O ATOM 1666 CB THR B 53 2.507 -3.989 -10.424 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.247 -4.924 -11.455 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.005 -3.855 -10.271 1.00 0.00 C ATOM 0 H THR B 53 1.387 -6.387 -9.637 1.00 0.00 H new ATOM 0 HA THR B 53 2.312 -3.926 -8.289 1.00 0.00 H new ATOM 0 HB THR B 53 2.104 -3.009 -10.681 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.612 -4.538 -12.094 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.444 -3.568 -11.226 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.228 -3.092 -9.525 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.425 -4.809 -9.951 1.00 0.00 H new ATOM 1676 N VAL B 54 0.108 -2.876 -8.316 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.210 -2.264 -8.225 1.00 0.00 C ATOM 1678 C VAL B 54 -1.180 -0.888 -8.878 1.00 0.00 C ATOM 1679 O VAL B 54 -0.592 0.049 -8.341 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.678 -2.137 -6.760 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.059 -1.503 -6.690 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.676 -3.499 -6.083 1.00 0.00 C ATOM 0 H VAL B 54 0.805 -2.462 -7.696 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.918 -2.908 -8.747 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.980 -1.488 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.370 -1.423 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.026 -0.509 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.772 -2.122 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -2.008 -3.393 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.351 -4.170 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.667 -3.912 -6.099 1.00 0.00 H new ATOM 1692 N THR B 55 -1.796 -0.779 -10.051 1.00 0.00 N ATOM 1693 CA THR B 55 -1.808 0.481 -10.782 1.00 0.00 C ATOM 1694 C THR B 55 -3.065 1.292 -10.486 1.00 0.00 C ATOM 1695 O THR B 55 -4.162 0.946 -10.927 1.00 0.00 O ATOM 1696 CB THR B 55 -1.689 0.234 -12.283 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.652 -0.692 -12.558 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.385 1.495 -13.059 1.00 0.00 C ATOM 0 H THR B 55 -2.290 -1.543 -10.512 1.00 0.00 H new ATOM 0 HA THR B 55 -0.947 1.059 -10.446 1.00 0.00 H new ATOM 0 HB THR B 55 -2.658 -0.155 -12.596 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.592 -0.839 -13.525 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.311 1.260 -14.121 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.184 2.220 -12.902 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.440 1.916 -12.714 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.891 2.381 -9.743 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.000 3.262 -9.386 1.00 0.00 C ATOM 1708 C GLU B 56 -4.788 3.680 -10.626 1.00 0.00 C ATOM 1709 O GLU B 56 -4.159 3.889 -11.684 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.464 4.499 -8.660 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.527 5.539 -8.345 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.654 4.983 -7.501 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.378 4.516 -6.376 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.812 5.016 -7.965 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.028 3.793 -10.526 1.00 0.00 O ATOM 0 H GLU B 56 -1.987 2.676 -9.374 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.674 2.718 -8.724 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.990 4.185 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.689 4.960 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.066 6.377 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.935 5.930 -9.277 1.00 0.00 H new TER 1722 GLU B 56