USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 GLN :FLIP amide:sc= 0.347 F(o=-0.77,f=0.53) USER MOD Set 1.2: A 50 TYR OH : rot 127:sc= 0.182 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= -0.0163 (180deg=-0.258) USER MOD Single : A 24 GLN : amide:sc= -0.199 K(o=-0.2,f=-0.96) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 74:sc= 0.339 USER MOD Single : A 30 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-4.6!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -44:sc= 1.09 USER MOD Single : A 43 SER OG : rot -101:sc= -0.136 USER MOD Single : A 48 GLN : amide:sc= -2.4! C(o=-2.4!,f=-3!) USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= -3.09! (180deg=-3.75!) USER MOD Single : A 51 SER OG : rot -90:sc= 1.25 USER MOD Single : A 52 ASN : amide:sc= -0.0736 K(o=-0.074,f=-2.1!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -8.73! C(o=-8.7!,f=-16!) USER MOD Single : A 59 ASN : amide:sc= -0.0754 K(o=-0.075,f=-1.9!) USER MOD Single : A 60 SER OG : rot -106:sc= -0.792! USER MOD Single : A 61 THR OG1 : rot 112:sc= 0.971 USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.229) USER MOD Single : A 77 SER OG : rot 103:sc= -2.64 USER MOD Single : A 79 LYS NZ :NH3+ 130:sc= -0.0606 (180deg=-0.606) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 59.015 3.457 13.259 1.00 1.00 N ATOM 2 CA MET A 13 57.869 3.943 12.438 1.00 1.00 C ATOM 3 C MET A 13 58.396 4.529 11.133 1.00 1.00 C ATOM 4 O MET A 13 57.735 4.457 10.101 1.00 1.00 O ATOM 5 CB MET A 13 57.100 5.011 13.224 1.00 1.00 C ATOM 6 CG MET A 13 58.088 5.904 13.977 1.00 1.00 C ATOM 7 SD MET A 13 57.190 7.253 14.783 1.00 1.00 S ATOM 8 CE MET A 13 58.621 8.057 15.547 1.00 1.00 C ATOM 0 HA MET A 13 57.197 3.115 12.211 1.00 1.00 H new ATOM 0 HB2 MET A 13 56.495 5.612 12.545 1.00 1.00 H new ATOM 0 HB3 MET A 13 56.414 4.537 13.926 1.00 1.00 H new ATOM 0 HG2 MET A 13 58.630 5.319 14.720 1.00 1.00 H new ATOM 0 HG3 MET A 13 58.829 6.308 13.287 1.00 1.00 H new ATOM 0 HE1 MET A 13 58.291 8.932 16.106 1.00 1.00 H new ATOM 0 HE2 MET A 13 59.113 7.358 16.224 1.00 1.00 H new ATOM 0 HE3 MET A 13 59.322 8.365 14.771 1.00 1.00 H new ATOM 18 N ARG A 14 59.591 5.103 11.182 1.00 1.00 N ATOM 19 CA ARG A 14 60.204 5.698 10.018 1.00 1.00 C ATOM 20 C ARG A 14 60.005 4.834 8.775 1.00 1.00 C ATOM 21 O ARG A 14 60.007 5.340 7.656 1.00 1.00 O ATOM 22 CB ARG A 14 61.684 5.879 10.293 1.00 1.00 C ATOM 23 CG ARG A 14 62.260 6.820 9.257 1.00 1.00 C ATOM 24 CD ARG A 14 63.741 7.006 9.529 1.00 1.00 C ATOM 25 NE ARG A 14 63.944 7.741 10.771 1.00 1.00 N ATOM 26 CZ ARG A 14 63.707 9.047 10.842 1.00 1.00 C ATOM 27 NH1 ARG A 14 63.284 9.692 9.788 1.00 1.00 N ATOM 28 NH2 ARG A 14 63.896 9.684 11.964 1.00 1.00 N ATOM 0 H ARG A 14 60.155 5.165 12.030 1.00 1.00 H new ATOM 0 HA ARG A 14 59.732 6.661 9.823 1.00 1.00 H new ATOM 0 HB2 ARG A 14 61.835 6.282 11.295 1.00 1.00 H new ATOM 0 HB3 ARG A 14 62.195 4.917 10.255 1.00 1.00 H new ATOM 0 HG2 ARG A 14 62.109 6.416 8.256 1.00 1.00 H new ATOM 0 HG3 ARG A 14 61.747 7.781 9.294 1.00 1.00 H new ATOM 0 HD2 ARG A 14 64.230 6.034 9.591 1.00 1.00 H new ATOM 0 HD3 ARG A 14 64.204 7.544 8.702 1.00 1.00 H new ATOM 0 HE ARG A 14 64.273 7.245 11.599 1.00 1.00 H new ATOM 0 HH11 ARG A 14 63.136 9.194 8.911 1.00 1.00 H new ATOM 0 HH12 ARG A 14 63.102 10.694 9.842 1.00 1.00 H new ATOM 0 HH21 ARG A 14 64.226 9.180 12.787 1.00 1.00 H new ATOM 0 HH22 ARG A 14 63.714 10.686 12.018 1.00 1.00 H new ATOM 42 N ILE A 15 59.843 3.534 8.980 1.00 1.00 N ATOM 43 CA ILE A 15 59.649 2.596 7.871 1.00 1.00 C ATOM 44 C ILE A 15 58.609 3.156 6.897 1.00 1.00 C ATOM 45 O ILE A 15 58.860 3.263 5.696 1.00 1.00 O ATOM 46 CB ILE A 15 59.183 1.205 8.416 1.00 1.00 C ATOM 47 CG1 ILE A 15 59.115 1.238 9.955 1.00 1.00 C ATOM 48 CG2 ILE A 15 60.170 0.102 7.987 1.00 1.00 C ATOM 49 CD1 ILE A 15 60.525 1.352 10.556 1.00 1.00 C ATOM 0 H ILE A 15 59.841 3.100 9.903 1.00 1.00 H new ATOM 0 HA ILE A 15 60.595 2.465 7.346 1.00 1.00 H new ATOM 0 HB ILE A 15 58.196 0.990 8.005 1.00 1.00 H new ATOM 0 HG12 ILE A 15 58.506 2.082 10.280 1.00 1.00 H new ATOM 0 HG13 ILE A 15 58.629 0.334 10.322 1.00 1.00 H new ATOM 0 HG21 ILE A 15 59.832 -0.859 8.374 1.00 1.00 H new ATOM 0 HG22 ILE A 15 60.217 0.059 6.899 1.00 1.00 H new ATOM 0 HG23 ILE A 15 61.160 0.325 8.384 1.00 1.00 H new ATOM 0 HD11 ILE A 15 60.456 1.374 11.644 1.00 1.00 H new ATOM 0 HD12 ILE A 15 61.123 0.494 10.247 1.00 1.00 H new ATOM 0 HD13 ILE A 15 60.998 2.269 10.204 1.00 1.00 H new ATOM 61 N TYR A 16 57.458 3.527 7.436 1.00 1.00 N ATOM 62 CA TYR A 16 56.386 4.095 6.631 1.00 1.00 C ATOM 63 C TYR A 16 56.918 5.342 5.939 1.00 1.00 C ATOM 64 O TYR A 16 56.677 5.565 4.753 1.00 1.00 O ATOM 65 CB TYR A 16 55.159 4.396 7.555 1.00 1.00 C ATOM 66 CG TYR A 16 54.926 5.900 7.736 1.00 1.00 C ATOM 67 CD1 TYR A 16 55.658 6.618 8.702 1.00 1.00 C ATOM 68 CD2 TYR A 16 53.987 6.579 6.935 1.00 1.00 C ATOM 69 CE1 TYR A 16 55.456 7.983 8.865 1.00 1.00 C ATOM 70 CE2 TYR A 16 53.793 7.956 7.104 1.00 1.00 C ATOM 71 CZ TYR A 16 54.527 8.658 8.068 1.00 1.00 C ATOM 72 OH TYR A 16 54.333 10.014 8.231 1.00 1.00 O ATOM 0 H TYR A 16 57.241 3.445 8.429 1.00 1.00 H new ATOM 0 HA TYR A 16 56.049 3.401 5.862 1.00 1.00 H new ATOM 0 HB2 TYR A 16 54.265 3.940 7.129 1.00 1.00 H new ATOM 0 HB3 TYR A 16 55.318 3.935 8.530 1.00 1.00 H new ATOM 0 HD1 TYR A 16 56.380 6.105 9.319 1.00 1.00 H new ATOM 0 HD2 TYR A 16 53.418 6.039 6.192 1.00 1.00 H new ATOM 0 HE1 TYR A 16 56.019 8.525 9.611 1.00 1.00 H new ATOM 0 HE2 TYR A 16 53.075 8.478 6.489 1.00 1.00 H new ATOM 0 HH TYR A 16 53.654 10.326 7.597 1.00 1.00 H new ATOM 82 N LYS A 17 57.671 6.127 6.688 1.00 1.00 N ATOM 83 CA LYS A 17 58.274 7.326 6.142 1.00 1.00 C ATOM 84 C LYS A 17 59.288 6.934 5.073 1.00 1.00 C ATOM 85 O LYS A 17 59.474 7.637 4.086 1.00 1.00 O ATOM 86 CB LYS A 17 58.962 8.128 7.257 1.00 1.00 C ATOM 87 CG LYS A 17 59.168 9.578 6.803 1.00 1.00 C ATOM 88 CD LYS A 17 59.736 10.424 7.958 1.00 1.00 C ATOM 89 CE LYS A 17 58.593 11.018 8.788 1.00 1.00 C ATOM 90 NZ LYS A 17 57.955 12.127 8.023 1.00 1.00 N ATOM 0 H LYS A 17 57.878 5.956 7.672 1.00 1.00 H new ATOM 0 HA LYS A 17 57.500 7.951 5.696 1.00 1.00 H new ATOM 0 HB2 LYS A 17 58.355 8.104 8.162 1.00 1.00 H new ATOM 0 HB3 LYS A 17 59.922 7.675 7.504 1.00 1.00 H new ATOM 0 HG2 LYS A 17 59.849 9.607 5.953 1.00 1.00 H new ATOM 0 HG3 LYS A 17 58.221 9.999 6.466 1.00 1.00 H new ATOM 0 HD2 LYS A 17 60.373 9.807 8.592 1.00 1.00 H new ATOM 0 HD3 LYS A 17 60.361 11.224 7.560 1.00 1.00 H new ATOM 0 HE2 LYS A 17 57.856 10.248 9.018 1.00 1.00 H new ATOM 0 HE3 LYS A 17 58.974 11.389 9.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 57.458 12.761 8.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 58.686 12.662 7.512 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 57.275 11.733 7.342 1.00 1.00 H new ATOM 104 N GLY A 18 59.942 5.795 5.282 1.00 1.00 N ATOM 105 CA GLY A 18 60.934 5.305 4.333 1.00 1.00 C ATOM 106 C GLY A 18 60.284 4.798 3.056 1.00 1.00 C ATOM 107 O GLY A 18 60.881 4.839 1.982 1.00 1.00 O ATOM 0 H GLY A 18 59.803 5.197 6.097 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.635 6.105 4.093 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.512 4.502 4.791 1.00 1.00 H new ATOM 111 N VAL A 19 59.065 4.291 3.188 1.00 1.00 N ATOM 112 CA VAL A 19 58.359 3.745 2.042 1.00 1.00 C ATOM 113 C VAL A 19 58.069 4.854 1.042 1.00 1.00 C ATOM 114 O VAL A 19 57.831 4.600 -0.138 1.00 1.00 O ATOM 115 CB VAL A 19 57.053 3.071 2.503 1.00 1.00 C ATOM 116 CG1 VAL A 19 56.107 2.841 1.304 1.00 1.00 C ATOM 117 CG2 VAL A 19 57.382 1.712 3.139 1.00 1.00 C ATOM 0 H VAL A 19 58.551 4.247 4.068 1.00 1.00 H new ATOM 0 HA VAL A 19 58.981 2.993 1.557 1.00 1.00 H new ATOM 0 HB VAL A 19 56.562 3.722 3.226 1.00 1.00 H new ATOM 0 HG11 VAL A 19 55.190 2.364 1.650 1.00 1.00 H new ATOM 0 HG12 VAL A 19 55.866 3.798 0.842 1.00 1.00 H new ATOM 0 HG13 VAL A 19 56.597 2.198 0.572 1.00 1.00 H new ATOM 0 HG21 VAL A 19 56.460 1.231 3.467 1.00 1.00 H new ATOM 0 HG22 VAL A 19 57.881 1.078 2.406 1.00 1.00 H new ATOM 0 HG23 VAL A 19 58.038 1.861 3.996 1.00 1.00 H new ATOM 127 N ILE A 20 58.119 6.080 1.528 1.00 1.00 N ATOM 128 CA ILE A 20 57.884 7.239 0.678 1.00 1.00 C ATOM 129 C ILE A 20 58.841 7.156 -0.495 1.00 1.00 C ATOM 130 O ILE A 20 58.568 7.681 -1.571 1.00 1.00 O ATOM 131 CB ILE A 20 58.168 8.534 1.497 1.00 1.00 C ATOM 132 CG1 ILE A 20 57.116 8.720 2.639 1.00 1.00 C ATOM 133 CG2 ILE A 20 58.168 9.787 0.591 1.00 1.00 C ATOM 134 CD1 ILE A 20 57.475 9.899 3.577 1.00 1.00 C ATOM 0 H ILE A 20 58.319 6.302 2.503 1.00 1.00 H new ATOM 0 HA ILE A 20 56.854 7.260 0.323 1.00 1.00 H new ATOM 0 HB ILE A 20 59.158 8.420 1.938 1.00 1.00 H new ATOM 0 HG12 ILE A 20 56.133 8.893 2.201 1.00 1.00 H new ATOM 0 HG13 ILE A 20 57.048 7.801 3.222 1.00 1.00 H new ATOM 0 HG21 ILE A 20 58.369 10.672 1.194 1.00 1.00 H new ATOM 0 HG22 ILE A 20 58.940 9.685 -0.172 1.00 1.00 H new ATOM 0 HG23 ILE A 20 57.195 9.889 0.111 1.00 1.00 H new ATOM 0 HD11 ILE A 20 56.716 9.990 4.354 1.00 1.00 H new ATOM 0 HD12 ILE A 20 58.446 9.715 4.037 1.00 1.00 H new ATOM 0 HD13 ILE A 20 57.516 10.823 3.000 1.00 1.00 H new ATOM 146 N GLN A 21 59.949 6.470 -0.280 1.00 1.00 N ATOM 147 CA GLN A 21 60.926 6.289 -1.327 1.00 1.00 C ATOM 148 C GLN A 21 60.229 5.680 -2.537 1.00 1.00 C ATOM 149 O GLN A 21 60.508 6.044 -3.677 1.00 1.00 O ATOM 150 CB GLN A 21 62.065 5.383 -0.827 1.00 1.00 C ATOM 151 CG GLN A 21 62.825 4.789 -2.014 1.00 1.00 C ATOM 152 CD GLN A 21 64.176 4.242 -1.566 1.00 1.00 C ATOM 153 OE1 GLN A 21 65.266 4.713 -2.105 1.00 1.00 O flip ATOM 154 NE2 GLN A 21 64.240 3.362 -0.706 1.00 1.00 N flip ATOM 0 H GLN A 21 60.190 6.032 0.609 1.00 1.00 H new ATOM 0 HA GLN A 21 61.363 7.246 -1.611 1.00 1.00 H new ATOM 0 HB2 GLN A 21 62.747 5.956 -0.199 1.00 1.00 H new ATOM 0 HB3 GLN A 21 61.659 4.583 -0.208 1.00 1.00 H new ATOM 0 HG2 GLN A 21 62.236 3.992 -2.468 1.00 1.00 H new ATOM 0 HG3 GLN A 21 62.971 5.552 -2.778 1.00 1.00 H new ATOM 0 HE21 GLN A 21 63.385 2.996 -0.286 1.00 1.00 H new ATOM 0 HE22 GLN A 21 65.148 3.000 -0.414 1.00 1.00 H new ATOM 163 N ALA A 22 59.306 4.763 -2.274 1.00 1.00 N ATOM 164 CA ALA A 22 58.561 4.125 -3.351 1.00 1.00 C ATOM 165 C ALA A 22 57.629 5.137 -4.009 1.00 1.00 C ATOM 166 O ALA A 22 57.523 5.197 -5.235 1.00 1.00 O ATOM 167 CB ALA A 22 57.738 2.951 -2.802 1.00 1.00 C ATOM 0 H ALA A 22 59.058 4.448 -1.336 1.00 1.00 H new ATOM 0 HA ALA A 22 59.268 3.750 -4.091 1.00 1.00 H new ATOM 0 HB1 ALA A 22 57.185 2.482 -3.616 1.00 1.00 H new ATOM 0 HB2 ALA A 22 58.406 2.219 -2.348 1.00 1.00 H new ATOM 0 HB3 ALA A 22 57.037 3.317 -2.052 1.00 1.00 H new ATOM 173 N ILE A 23 56.956 5.927 -3.178 1.00 1.00 N ATOM 174 CA ILE A 23 56.028 6.937 -3.669 1.00 1.00 C ATOM 175 C ILE A 23 56.756 8.036 -4.446 1.00 1.00 C ATOM 176 O ILE A 23 56.295 8.470 -5.502 1.00 1.00 O ATOM 177 CB ILE A 23 55.269 7.553 -2.489 1.00 1.00 C ATOM 178 CG1 ILE A 23 54.352 6.487 -1.881 1.00 1.00 C ATOM 179 CG2 ILE A 23 54.426 8.739 -2.971 1.00 1.00 C ATOM 180 CD1 ILE A 23 53.778 6.993 -0.555 1.00 1.00 C ATOM 0 H ILE A 23 57.037 5.886 -2.162 1.00 1.00 H new ATOM 0 HA ILE A 23 55.327 6.453 -4.349 1.00 1.00 H new ATOM 0 HB ILE A 23 55.979 7.905 -1.741 1.00 1.00 H new ATOM 0 HG12 ILE A 23 53.543 6.253 -2.573 1.00 1.00 H new ATOM 0 HG13 ILE A 23 54.909 5.564 -1.718 1.00 1.00 H new ATOM 0 HG21 ILE A 23 53.890 9.171 -2.126 1.00 1.00 H new ATOM 0 HG22 ILE A 23 55.078 9.493 -3.411 1.00 1.00 H new ATOM 0 HG23 ILE A 23 53.710 8.397 -3.718 1.00 1.00 H new ATOM 0 HD11 ILE A 23 53.126 6.232 -0.126 1.00 1.00 H new ATOM 0 HD12 ILE A 23 54.593 7.205 0.137 1.00 1.00 H new ATOM 0 HD13 ILE A 23 53.205 7.904 -0.730 1.00 1.00 H new ATOM 192 N GLN A 24 57.883 8.492 -3.904 1.00 1.00 N ATOM 193 CA GLN A 24 58.653 9.557 -4.537 1.00 1.00 C ATOM 194 C GLN A 24 59.246 9.102 -5.868 1.00 1.00 C ATOM 195 O GLN A 24 59.259 9.860 -6.837 1.00 1.00 O ATOM 196 CB GLN A 24 59.780 10.013 -3.606 1.00 1.00 C ATOM 197 CG GLN A 24 60.442 11.277 -4.167 1.00 1.00 C ATOM 198 CD GLN A 24 59.470 12.449 -4.095 1.00 1.00 C ATOM 199 OE1 GLN A 24 58.740 12.592 -3.113 1.00 1.00 O ATOM 200 NE2 GLN A 24 59.416 13.302 -5.082 1.00 1.00 N ATOM 0 H GLN A 24 58.281 8.142 -3.032 1.00 1.00 H new ATOM 0 HA GLN A 24 57.974 10.388 -4.730 1.00 1.00 H new ATOM 0 HB2 GLN A 24 59.383 10.211 -2.610 1.00 1.00 H new ATOM 0 HB3 GLN A 24 60.520 9.220 -3.502 1.00 1.00 H new ATOM 0 HG2 GLN A 24 61.345 11.507 -3.601 1.00 1.00 H new ATOM 0 HG3 GLN A 24 60.748 11.110 -5.200 1.00 1.00 H new ATOM 0 HE21 GLN A 24 60.021 13.181 -5.894 1.00 1.00 H new ATOM 0 HE22 GLN A 24 58.768 14.089 -5.041 1.00 1.00 H new ATOM 209 N LYS A 25 59.748 7.870 -5.912 1.00 1.00 N ATOM 210 CA LYS A 25 60.355 7.359 -7.147 1.00 1.00 C ATOM 211 C LYS A 25 59.502 7.725 -8.372 1.00 1.00 C ATOM 212 O LYS A 25 60.040 8.006 -9.443 1.00 1.00 O ATOM 213 CB LYS A 25 60.523 5.828 -7.067 1.00 1.00 C ATOM 214 CG LYS A 25 61.866 5.471 -6.411 1.00 1.00 C ATOM 215 CD LYS A 25 61.920 3.964 -6.139 1.00 1.00 C ATOM 216 CE LYS A 25 61.957 3.189 -7.460 1.00 1.00 C ATOM 217 NZ LYS A 25 62.437 1.800 -7.208 1.00 1.00 N ATOM 0 H LYS A 25 59.750 7.217 -5.128 1.00 1.00 H new ATOM 0 HA LYS A 25 61.335 7.823 -7.257 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.704 5.395 -6.493 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.473 5.397 -8.067 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.690 5.763 -7.063 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.985 6.024 -5.479 1.00 1.00 H new ATOM 0 HD2 LYS A 25 62.802 3.726 -5.544 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.051 3.661 -5.555 1.00 1.00 H new ATOM 0 HE2 LYS A 25 60.964 3.166 -7.909 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.616 3.690 -8.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 62.462 1.273 -8.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.392 1.832 -6.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.792 1.325 -6.545 1.00 1.00 H new ATOM 231 N SER A 26 58.183 7.713 -8.212 1.00 1.00 N ATOM 232 CA SER A 26 57.286 8.034 -9.311 1.00 1.00 C ATOM 233 C SER A 26 57.602 7.171 -10.519 1.00 1.00 C ATOM 234 O SER A 26 58.497 7.480 -11.302 1.00 1.00 O ATOM 235 CB SER A 26 57.426 9.489 -9.702 1.00 1.00 C ATOM 236 OG SER A 26 56.911 10.316 -8.667 1.00 1.00 O ATOM 0 H SER A 26 57.715 7.485 -7.335 1.00 1.00 H new ATOM 0 HA SER A 26 56.266 7.842 -8.979 1.00 1.00 H new ATOM 0 HB2 SER A 26 58.474 9.727 -9.883 1.00 1.00 H new ATOM 0 HB3 SER A 26 56.890 9.679 -10.632 1.00 1.00 H new ATOM 0 HG SER A 26 57.538 10.326 -7.914 1.00 1.00 H new ATOM 242 N ASP A 27 56.848 6.099 -10.642 1.00 1.00 N ATOM 243 CA ASP A 27 56.993 5.130 -11.734 1.00 1.00 C ATOM 244 C ASP A 27 56.480 3.781 -11.248 1.00 1.00 C ATOM 245 O ASP A 27 55.961 2.980 -12.025 1.00 1.00 O ATOM 246 CB ASP A 27 58.469 4.999 -12.183 1.00 1.00 C ATOM 247 CG ASP A 27 58.763 5.943 -13.352 1.00 1.00 C ATOM 248 OD1 ASP A 27 58.001 5.926 -14.304 1.00 1.00 O ATOM 249 OD2 ASP A 27 59.742 6.667 -13.273 1.00 1.00 O ATOM 0 H ASP A 27 56.105 5.863 -9.984 1.00 1.00 H new ATOM 0 HA ASP A 27 56.418 5.474 -12.593 1.00 1.00 H new ATOM 0 HB2 ASP A 27 59.131 5.229 -11.348 1.00 1.00 H new ATOM 0 HB3 ASP A 27 58.675 3.970 -12.479 1.00 1.00 H new ATOM 254 N GLU A 28 56.629 3.545 -9.946 1.00 1.00 N ATOM 255 CA GLU A 28 56.179 2.294 -9.338 1.00 1.00 C ATOM 256 C GLU A 28 55.345 2.584 -8.091 1.00 1.00 C ATOM 257 O GLU A 28 55.635 2.074 -7.009 1.00 1.00 O ATOM 258 CB GLU A 28 57.387 1.435 -8.955 1.00 1.00 C ATOM 259 CG GLU A 28 58.187 1.076 -10.216 1.00 1.00 C ATOM 260 CD GLU A 28 59.115 2.226 -10.596 1.00 1.00 C ATOM 261 OE1 GLU A 28 59.044 3.259 -9.951 1.00 1.00 O ATOM 262 OE2 GLU A 28 59.884 2.057 -11.529 1.00 1.00 O ATOM 0 H GLU A 28 57.057 4.202 -9.293 1.00 1.00 H new ATOM 0 HA GLU A 28 55.566 1.755 -10.061 1.00 1.00 H new ATOM 0 HB2 GLU A 28 58.021 1.975 -8.252 1.00 1.00 H new ATOM 0 HB3 GLU A 28 57.055 0.527 -8.452 1.00 1.00 H new ATOM 0 HG2 GLU A 28 58.770 0.172 -10.041 1.00 1.00 H new ATOM 0 HG3 GLU A 28 57.505 0.862 -11.039 1.00 1.00 H new ATOM 269 N GLY A 29 54.300 3.406 -8.247 1.00 1.00 N ATOM 270 CA GLY A 29 53.428 3.750 -7.129 1.00 1.00 C ATOM 271 C GLY A 29 52.180 2.877 -7.151 1.00 1.00 C ATOM 272 O GLY A 29 51.462 2.779 -6.155 1.00 1.00 O ATOM 0 H GLY A 29 54.043 3.841 -9.133 1.00 1.00 H new ATOM 0 HA2 GLY A 29 53.960 3.614 -6.187 1.00 1.00 H new ATOM 0 HA3 GLY A 29 53.147 4.802 -7.187 1.00 1.00 H new ATOM 276 N HIS A 30 51.921 2.248 -8.297 1.00 1.00 N ATOM 277 CA HIS A 30 50.749 1.394 -8.433 1.00 1.00 C ATOM 278 C HIS A 30 50.740 0.312 -7.343 1.00 1.00 C ATOM 279 O HIS A 30 49.686 0.017 -6.780 1.00 1.00 O ATOM 280 CB HIS A 30 50.665 0.765 -9.856 1.00 1.00 C ATOM 281 CG HIS A 30 51.851 1.184 -10.685 1.00 1.00 C ATOM 282 ND1 HIS A 30 52.853 0.297 -11.045 1.00 1.00 N ATOM 283 CD2 HIS A 30 52.203 2.392 -11.237 1.00 1.00 C ATOM 284 CE1 HIS A 30 53.751 0.977 -11.781 1.00 1.00 C ATOM 285 NE2 HIS A 30 53.403 2.259 -11.929 1.00 1.00 N ATOM 0 H HIS A 30 52.501 2.314 -9.133 1.00 1.00 H new ATOM 0 HA HIS A 30 49.863 2.015 -8.302 1.00 1.00 H new ATOM 0 HB2 HIS A 30 50.633 -0.322 -9.779 1.00 1.00 H new ATOM 0 HB3 HIS A 30 49.742 1.078 -10.345 1.00 1.00 H new ATOM 0 HD2 HIS A 30 51.635 3.306 -11.147 1.00 1.00 H new ATOM 0 HE1 HIS A 30 54.645 0.540 -12.201 1.00 1.00 H new ATOM 0 HE2 HIS A 30 53.908 2.984 -12.439 1.00 1.00 H new ATOM 293 N PRO A 31 51.874 -0.269 -7.012 1.00 1.00 N ATOM 294 CA PRO A 31 51.954 -1.310 -5.943 1.00 1.00 C ATOM 295 C PRO A 31 51.798 -0.670 -4.560 1.00 1.00 C ATOM 296 O PRO A 31 52.251 -1.211 -3.550 1.00 1.00 O ATOM 297 CB PRO A 31 53.356 -1.947 -6.131 1.00 1.00 C ATOM 298 CG PRO A 31 53.890 -1.381 -7.417 1.00 1.00 C ATOM 299 CD PRO A 31 53.198 -0.018 -7.591 1.00 1.00 C ATOM 0 HA PRO A 31 51.162 -2.055 -6.013 1.00 1.00 H new ATOM 0 HB2 PRO A 31 54.012 -1.705 -5.294 1.00 1.00 H new ATOM 0 HB3 PRO A 31 53.289 -3.034 -6.179 1.00 1.00 H new ATOM 0 HG2 PRO A 31 54.973 -1.268 -7.375 1.00 1.00 H new ATOM 0 HG3 PRO A 31 53.671 -2.041 -8.256 1.00 1.00 H new ATOM 0 HD2 PRO A 31 53.728 0.778 -7.067 1.00 1.00 H new ATOM 0 HD3 PRO A 31 53.136 0.277 -8.639 1.00 1.00 H new ATOM 307 N PHE A 32 51.172 0.503 -4.549 1.00 1.00 N ATOM 308 CA PHE A 32 50.955 1.275 -3.329 1.00 1.00 C ATOM 309 C PHE A 32 50.772 0.387 -2.099 1.00 1.00 C ATOM 310 O PHE A 32 51.698 0.218 -1.307 1.00 1.00 O ATOM 311 CB PHE A 32 49.716 2.149 -3.524 1.00 1.00 C ATOM 312 CG PHE A 32 49.436 2.940 -2.267 1.00 1.00 C ATOM 313 CD1 PHE A 32 50.368 3.879 -1.809 1.00 1.00 C ATOM 314 CD2 PHE A 32 48.239 2.742 -1.566 1.00 1.00 C ATOM 315 CE1 PHE A 32 50.104 4.616 -0.649 1.00 1.00 C ATOM 316 CE2 PHE A 32 47.977 3.478 -0.409 1.00 1.00 C ATOM 317 CZ PHE A 32 48.909 4.417 0.051 1.00 1.00 C ATOM 0 H PHE A 32 50.800 0.947 -5.389 1.00 1.00 H new ATOM 0 HA PHE A 32 51.841 1.885 -3.150 1.00 1.00 H new ATOM 0 HB2 PHE A 32 49.868 2.827 -4.364 1.00 1.00 H new ATOM 0 HB3 PHE A 32 48.856 1.525 -3.770 1.00 1.00 H new ATOM 0 HD1 PHE A 32 51.290 4.034 -2.350 1.00 1.00 H new ATOM 0 HD2 PHE A 32 47.519 2.020 -1.921 1.00 1.00 H new ATOM 0 HE1 PHE A 32 50.823 5.339 -0.294 1.00 1.00 H new ATOM 0 HE2 PHE A 32 47.055 3.323 0.132 1.00 1.00 H new ATOM 0 HZ PHE A 32 48.705 4.987 0.945 1.00 1.00 H new ATOM 327 N ARG A 33 49.577 -0.172 -1.937 1.00 1.00 N ATOM 328 CA ARG A 33 49.301 -1.025 -0.795 1.00 1.00 C ATOM 329 C ARG A 33 50.073 -2.330 -0.889 1.00 1.00 C ATOM 330 O ARG A 33 50.477 -2.891 0.123 1.00 1.00 O ATOM 331 CB ARG A 33 47.801 -1.302 -0.670 1.00 1.00 C ATOM 332 CG ARG A 33 47.255 -1.824 -2.009 1.00 1.00 C ATOM 333 CD ARG A 33 45.788 -2.248 -1.834 1.00 1.00 C ATOM 334 NE ARG A 33 44.966 -1.086 -1.514 1.00 1.00 N ATOM 335 CZ ARG A 33 43.681 -1.217 -1.201 1.00 1.00 C ATOM 336 NH1 ARG A 33 43.134 -2.401 -1.166 1.00 1.00 N ATOM 337 NH2 ARG A 33 42.968 -0.160 -0.926 1.00 1.00 N ATOM 0 H ARG A 33 48.793 -0.049 -2.578 1.00 1.00 H new ATOM 0 HA ARG A 33 49.630 -0.497 0.100 1.00 1.00 H new ATOM 0 HB2 ARG A 33 47.621 -2.035 0.117 1.00 1.00 H new ATOM 0 HB3 ARG A 33 47.276 -0.391 -0.383 1.00 1.00 H new ATOM 0 HG2 ARG A 33 47.332 -1.050 -2.772 1.00 1.00 H new ATOM 0 HG3 ARG A 33 47.851 -2.670 -2.352 1.00 1.00 H new ATOM 0 HD2 ARG A 33 45.426 -2.719 -2.748 1.00 1.00 H new ATOM 0 HD3 ARG A 33 45.708 -2.990 -1.040 1.00 1.00 H new ATOM 0 HE ARG A 33 45.385 -0.156 -1.531 1.00 1.00 H new ATOM 0 HH11 ARG A 33 43.693 -3.227 -1.379 1.00 1.00 H new ATOM 0 HH12 ARG A 33 42.148 -2.500 -0.926 1.00 1.00 H new ATOM 0 HH21 ARG A 33 43.397 0.765 -0.951 1.00 1.00 H new ATOM 0 HH22 ARG A 33 41.982 -0.259 -0.686 1.00 1.00 H new ATOM 351 N ALA A 34 50.270 -2.821 -2.102 1.00 1.00 N ATOM 352 CA ALA A 34 50.993 -4.075 -2.270 1.00 1.00 C ATOM 353 C ALA A 34 52.352 -3.988 -1.575 1.00 1.00 C ATOM 354 O ALA A 34 52.886 -4.994 -1.108 1.00 1.00 O ATOM 355 CB ALA A 34 51.174 -4.440 -3.759 1.00 1.00 C ATOM 0 H ALA A 34 49.949 -2.385 -2.966 1.00 1.00 H new ATOM 0 HA ALA A 34 50.400 -4.866 -1.811 1.00 1.00 H new ATOM 0 HB1 ALA A 34 51.718 -5.381 -3.839 1.00 1.00 H new ATOM 0 HB2 ALA A 34 50.196 -4.544 -4.229 1.00 1.00 H new ATOM 0 HB3 ALA A 34 51.736 -3.652 -4.261 1.00 1.00 H new ATOM 361 N TYR A 35 52.897 -2.778 -1.501 1.00 1.00 N ATOM 362 CA TYR A 35 54.190 -2.568 -0.849 1.00 1.00 C ATOM 363 C TYR A 35 54.101 -2.992 0.619 1.00 1.00 C ATOM 364 O TYR A 35 55.113 -3.281 1.253 1.00 1.00 O ATOM 365 CB TYR A 35 54.627 -1.067 -0.938 1.00 1.00 C ATOM 366 CG TYR A 35 56.134 -0.964 -1.174 1.00 1.00 C ATOM 367 CD1 TYR A 35 57.031 -1.026 -0.086 1.00 1.00 C ATOM 368 CD2 TYR A 35 56.643 -0.805 -2.484 1.00 1.00 C ATOM 369 CE1 TYR A 35 58.410 -0.933 -0.309 1.00 1.00 C ATOM 370 CE2 TYR A 35 58.025 -0.713 -2.691 1.00 1.00 C ATOM 371 CZ TYR A 35 58.904 -0.778 -1.608 1.00 1.00 C ATOM 372 OH TYR A 35 60.265 -0.688 -1.820 1.00 1.00 O ATOM 0 H TYR A 35 52.470 -1.933 -1.880 1.00 1.00 H new ATOM 0 HA TYR A 35 54.936 -3.174 -1.363 1.00 1.00 H new ATOM 0 HB2 TYR A 35 54.091 -0.573 -1.748 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.360 -0.549 -0.017 1.00 1.00 H new ATOM 0 HD1 TYR A 35 56.653 -1.145 0.919 1.00 1.00 H new ATOM 0 HD2 TYR A 35 55.966 -0.755 -3.324 1.00 1.00 H new ATOM 0 HE1 TYR A 35 59.095 -0.981 0.525 1.00 1.00 H new ATOM 0 HE2 TYR A 35 58.412 -0.591 -3.692 1.00 1.00 H new ATOM 0 HH TYR A 35 60.441 -0.584 -2.779 1.00 1.00 H new ATOM 382 N LEU A 36 52.886 -2.997 1.158 1.00 1.00 N ATOM 383 CA LEU A 36 52.678 -3.349 2.552 1.00 1.00 C ATOM 384 C LEU A 36 53.164 -4.759 2.852 1.00 1.00 C ATOM 385 O LEU A 36 53.722 -5.015 3.918 1.00 1.00 O ATOM 386 CB LEU A 36 51.198 -3.233 2.900 1.00 1.00 C ATOM 387 CG LEU A 36 50.752 -1.759 2.790 1.00 1.00 C ATOM 388 CD1 LEU A 36 49.237 -1.663 2.969 1.00 1.00 C ATOM 389 CD2 LEU A 36 51.432 -0.894 3.872 1.00 1.00 C ATOM 0 H LEU A 36 52.034 -2.761 0.649 1.00 1.00 H new ATOM 0 HA LEU A 36 53.257 -2.655 3.161 1.00 1.00 H new ATOM 0 HB2 LEU A 36 50.606 -3.853 2.227 1.00 1.00 H new ATOM 0 HB3 LEU A 36 51.022 -3.602 3.910 1.00 1.00 H new ATOM 0 HG LEU A 36 51.042 -1.392 1.805 1.00 1.00 H new ATOM 0 HD11 LEU A 36 48.927 -0.621 2.891 1.00 1.00 H new ATOM 0 HD12 LEU A 36 48.741 -2.248 2.195 1.00 1.00 H new ATOM 0 HD13 LEU A 36 48.961 -2.051 3.950 1.00 1.00 H new ATOM 0 HD21 LEU A 36 51.101 0.140 3.773 1.00 1.00 H new ATOM 0 HD22 LEU A 36 51.162 -1.268 4.860 1.00 1.00 H new ATOM 0 HD23 LEU A 36 52.514 -0.942 3.749 1.00 1.00 H new ATOM 401 N GLU A 37 52.945 -5.675 1.926 1.00 1.00 N ATOM 402 CA GLU A 37 53.360 -7.047 2.126 1.00 1.00 C ATOM 403 C GLU A 37 54.871 -7.139 2.350 1.00 1.00 C ATOM 404 O GLU A 37 55.334 -7.850 3.241 1.00 1.00 O ATOM 405 CB GLU A 37 52.973 -7.860 0.891 1.00 1.00 C ATOM 406 CG GLU A 37 53.523 -9.282 0.991 1.00 1.00 C ATOM 407 CD GLU A 37 53.105 -9.939 2.309 1.00 1.00 C ATOM 408 OE1 GLU A 37 53.666 -9.584 3.332 1.00 1.00 O ATOM 409 OE2 GLU A 37 52.244 -10.803 2.269 1.00 1.00 O ATOM 0 H GLU A 37 52.485 -5.493 1.034 1.00 1.00 H new ATOM 0 HA GLU A 37 52.864 -7.442 3.013 1.00 1.00 H new ATOM 0 HB2 GLU A 37 51.888 -7.890 0.794 1.00 1.00 H new ATOM 0 HB3 GLU A 37 53.360 -7.376 -0.006 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.160 -9.876 0.153 1.00 1.00 H new ATOM 0 HG3 GLU A 37 54.610 -9.261 0.919 1.00 1.00 H new ATOM 416 N SER A 38 55.631 -6.440 1.512 1.00 1.00 N ATOM 417 CA SER A 38 57.090 -6.473 1.600 1.00 1.00 C ATOM 418 C SER A 38 57.605 -5.754 2.847 1.00 1.00 C ATOM 419 O SER A 38 58.724 -5.999 3.285 1.00 1.00 O ATOM 420 CB SER A 38 57.692 -5.820 0.356 1.00 1.00 C ATOM 421 OG SER A 38 57.494 -4.414 0.430 1.00 1.00 O ATOM 0 H SER A 38 55.265 -5.846 0.768 1.00 1.00 H new ATOM 0 HA SER A 38 57.393 -7.518 1.666 1.00 1.00 H new ATOM 0 HB2 SER A 38 58.756 -6.047 0.289 1.00 1.00 H new ATOM 0 HB3 SER A 38 57.223 -6.220 -0.543 1.00 1.00 H new ATOM 0 HG SER A 38 56.579 -4.228 0.727 1.00 1.00 H new ATOM 427 N GLU A 39 56.793 -4.871 3.417 1.00 1.00 N ATOM 428 CA GLU A 39 57.205 -4.135 4.602 1.00 1.00 C ATOM 429 C GLU A 39 57.367 -5.077 5.782 1.00 1.00 C ATOM 430 O GLU A 39 57.906 -4.692 6.820 1.00 1.00 O ATOM 431 CB GLU A 39 56.165 -3.052 4.950 1.00 1.00 C ATOM 432 CG GLU A 39 56.299 -1.861 3.993 1.00 1.00 C ATOM 433 CD GLU A 39 57.630 -1.145 4.211 1.00 1.00 C ATOM 434 OE1 GLU A 39 57.872 -0.710 5.325 1.00 1.00 O ATOM 435 OE2 GLU A 39 58.392 -1.054 3.264 1.00 1.00 O ATOM 0 H GLU A 39 55.856 -4.650 3.081 1.00 1.00 H new ATOM 0 HA GLU A 39 58.162 -3.659 4.390 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.160 -3.469 4.885 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.306 -2.719 5.978 1.00 1.00 H new ATOM 0 HG2 GLU A 39 56.230 -2.207 2.962 1.00 1.00 H new ATOM 0 HG3 GLU A 39 55.475 -1.165 4.152 1.00 1.00 H new ATOM 442 N VAL A 40 56.873 -6.305 5.633 1.00 1.00 N ATOM 443 CA VAL A 40 56.954 -7.266 6.724 1.00 1.00 C ATOM 444 C VAL A 40 58.348 -7.893 6.840 1.00 1.00 C ATOM 445 O VAL A 40 58.933 -7.904 7.923 1.00 1.00 O ATOM 446 CB VAL A 40 55.894 -8.370 6.563 1.00 1.00 C ATOM 447 CG1 VAL A 40 56.128 -9.458 7.620 1.00 1.00 C ATOM 448 CG2 VAL A 40 54.486 -7.783 6.757 1.00 1.00 C ATOM 0 H VAL A 40 56.422 -6.650 4.786 1.00 1.00 H new ATOM 0 HA VAL A 40 56.759 -6.715 7.644 1.00 1.00 H new ATOM 0 HB VAL A 40 55.975 -8.795 5.562 1.00 1.00 H new ATOM 0 HG11 VAL A 40 55.378 -10.241 7.508 1.00 1.00 H new ATOM 0 HG12 VAL A 40 57.122 -9.886 7.488 1.00 1.00 H new ATOM 0 HG13 VAL A 40 56.050 -9.021 8.615 1.00 1.00 H new ATOM 0 HG21 VAL A 40 53.743 -8.573 6.641 1.00 1.00 H new ATOM 0 HG22 VAL A 40 54.405 -7.353 7.755 1.00 1.00 H new ATOM 0 HG23 VAL A 40 54.310 -7.007 6.012 1.00 1.00 H new ATOM 458 N ALA A 41 58.875 -8.419 5.739 1.00 1.00 N ATOM 459 CA ALA A 41 60.201 -9.042 5.780 1.00 1.00 C ATOM 460 C ALA A 41 61.275 -7.962 5.837 1.00 1.00 C ATOM 461 O ALA A 41 62.442 -8.233 6.118 1.00 1.00 O ATOM 462 CB ALA A 41 60.430 -9.936 4.549 1.00 1.00 C ATOM 0 H ALA A 41 58.420 -8.429 4.826 1.00 1.00 H new ATOM 0 HA ALA A 41 60.259 -9.665 6.672 1.00 1.00 H new ATOM 0 HB1 ALA A 41 61.421 -10.386 4.605 1.00 1.00 H new ATOM 0 HB2 ALA A 41 59.676 -10.723 4.525 1.00 1.00 H new ATOM 0 HB3 ALA A 41 60.355 -9.334 3.643 1.00 1.00 H new ATOM 468 N ILE A 42 60.853 -6.734 5.560 1.00 1.00 N ATOM 469 CA ILE A 42 61.746 -5.576 5.559 1.00 1.00 C ATOM 470 C ILE A 42 61.703 -4.857 6.904 1.00 1.00 C ATOM 471 O ILE A 42 62.707 -4.318 7.368 1.00 1.00 O ATOM 472 CB ILE A 42 61.295 -4.637 4.448 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.514 -5.334 3.111 1.00 1.00 C ATOM 474 CG2 ILE A 42 62.083 -3.324 4.505 1.00 1.00 C ATOM 475 CD1 ILE A 42 60.966 -4.487 1.951 1.00 1.00 C ATOM 0 H ILE A 42 59.885 -6.511 5.330 1.00 1.00 H new ATOM 0 HA ILE A 42 62.773 -5.901 5.391 1.00 1.00 H new ATOM 0 HB ILE A 42 60.239 -4.397 4.571 1.00 1.00 H new ATOM 0 HG12 ILE A 42 62.578 -5.516 2.962 1.00 1.00 H new ATOM 0 HG13 ILE A 42 61.022 -6.307 3.119 1.00 1.00 H new ATOM 0 HG21 ILE A 42 61.749 -2.664 3.704 1.00 1.00 H new ATOM 0 HG22 ILE A 42 61.916 -2.841 5.468 1.00 1.00 H new ATOM 0 HG23 ILE A 42 63.146 -3.532 4.384 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.135 -5.008 1.009 1.00 1.00 H new ATOM 0 HD12 ILE A 42 59.897 -4.327 2.090 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.477 -3.524 1.930 1.00 1.00 H new ATOM 487 N SER A 43 60.511 -4.848 7.489 1.00 1.00 N ATOM 488 CA SER A 43 60.242 -4.195 8.781 1.00 1.00 C ATOM 489 C SER A 43 61.509 -3.914 9.600 1.00 1.00 C ATOM 490 O SER A 43 61.647 -2.840 10.186 1.00 1.00 O ATOM 491 CB SER A 43 59.306 -5.078 9.611 1.00 1.00 C ATOM 492 OG SER A 43 60.053 -6.142 10.184 1.00 1.00 O ATOM 0 H SER A 43 59.690 -5.296 7.082 1.00 1.00 H new ATOM 0 HA SER A 43 59.785 -3.232 8.553 1.00 1.00 H new ATOM 0 HB2 SER A 43 58.831 -4.488 10.395 1.00 1.00 H new ATOM 0 HB3 SER A 43 58.509 -5.475 8.983 1.00 1.00 H new ATOM 0 HG SER A 43 59.916 -6.958 9.659 1.00 1.00 H new ATOM 498 N GLU A 44 62.419 -4.883 9.660 1.00 1.00 N ATOM 499 CA GLU A 44 63.646 -4.720 10.436 1.00 1.00 C ATOM 500 C GLU A 44 64.386 -3.438 10.037 1.00 1.00 C ATOM 501 O GLU A 44 64.658 -2.586 10.883 1.00 1.00 O ATOM 502 CB GLU A 44 64.556 -5.935 10.211 1.00 1.00 C ATOM 503 CG GLU A 44 65.604 -6.008 11.320 1.00 1.00 C ATOM 504 CD GLU A 44 66.516 -7.209 11.099 1.00 1.00 C ATOM 505 OE1 GLU A 44 66.944 -7.402 9.972 1.00 1.00 O ATOM 506 OE2 GLU A 44 66.772 -7.917 12.058 1.00 1.00 O ATOM 0 H GLU A 44 62.332 -5.782 9.185 1.00 1.00 H new ATOM 0 HA GLU A 44 63.381 -4.645 11.491 1.00 1.00 H new ATOM 0 HB2 GLU A 44 63.962 -6.849 10.199 1.00 1.00 H new ATOM 0 HB3 GLU A 44 65.045 -5.860 9.240 1.00 1.00 H new ATOM 0 HG2 GLU A 44 66.194 -5.091 11.335 1.00 1.00 H new ATOM 0 HG3 GLU A 44 65.114 -6.087 12.290 1.00 1.00 H new ATOM 513 N GLU A 45 64.706 -3.300 8.750 1.00 1.00 N ATOM 514 CA GLU A 45 65.410 -2.104 8.255 1.00 1.00 C ATOM 515 C GLU A 45 65.022 -1.831 6.805 1.00 1.00 C ATOM 516 O GLU A 45 65.284 -2.645 5.920 1.00 1.00 O ATOM 517 CB GLU A 45 66.930 -2.289 8.356 1.00 1.00 C ATOM 518 CG GLU A 45 67.363 -2.269 9.825 1.00 1.00 C ATOM 519 CD GLU A 45 68.879 -2.391 9.924 1.00 1.00 C ATOM 520 OE1 GLU A 45 69.532 -2.293 8.899 1.00 1.00 O ATOM 521 OE2 GLU A 45 69.366 -2.587 11.027 1.00 1.00 O ATOM 0 H GLU A 45 64.493 -3.992 8.032 1.00 1.00 H new ATOM 0 HA GLU A 45 65.119 -1.255 8.873 1.00 1.00 H new ATOM 0 HB2 GLU A 45 67.221 -3.233 7.895 1.00 1.00 H new ATOM 0 HB3 GLU A 45 67.439 -1.496 7.807 1.00 1.00 H new ATOM 0 HG2 GLU A 45 67.033 -1.344 10.297 1.00 1.00 H new ATOM 0 HG3 GLU A 45 66.888 -3.089 10.364 1.00 1.00 H new ATOM 528 N LEU A 46 64.359 -0.697 6.574 1.00 1.00 N ATOM 529 CA LEU A 46 63.900 -0.353 5.232 1.00 1.00 C ATOM 530 C LEU A 46 65.027 -0.056 4.255 1.00 1.00 C ATOM 531 O LEU A 46 65.051 -0.620 3.170 1.00 1.00 O ATOM 532 CB LEU A 46 62.942 0.845 5.282 1.00 1.00 C ATOM 533 CG LEU A 46 62.401 1.154 3.853 1.00 1.00 C ATOM 534 CD1 LEU A 46 60.914 1.520 3.917 1.00 1.00 C ATOM 535 CD2 LEU A 46 63.168 2.330 3.221 1.00 1.00 C ATOM 0 H LEU A 46 64.131 -0.009 7.292 1.00 1.00 H new ATOM 0 HA LEU A 46 63.384 -1.239 4.861 1.00 1.00 H new ATOM 0 HB2 LEU A 46 62.112 0.630 5.955 1.00 1.00 H new ATOM 0 HB3 LEU A 46 63.458 1.718 5.681 1.00 1.00 H new ATOM 0 HG LEU A 46 62.540 0.261 3.244 1.00 1.00 H new ATOM 0 HD11 LEU A 46 60.548 1.734 2.913 1.00 1.00 H new ATOM 0 HD12 LEU A 46 60.352 0.686 4.338 1.00 1.00 H new ATOM 0 HD13 LEU A 46 60.783 2.401 4.546 1.00 1.00 H new ATOM 0 HD21 LEU A 46 62.774 2.528 2.224 1.00 1.00 H new ATOM 0 HD22 LEU A 46 63.048 3.218 3.842 1.00 1.00 H new ATOM 0 HD23 LEU A 46 64.226 2.078 3.149 1.00 1.00 H new ATOM 547 N VAL A 47 65.926 0.856 4.610 1.00 1.00 N ATOM 548 CA VAL A 47 67.006 1.237 3.696 1.00 1.00 C ATOM 549 C VAL A 47 68.073 0.151 3.550 1.00 1.00 C ATOM 550 O VAL A 47 68.645 -0.013 2.473 1.00 1.00 O ATOM 551 CB VAL A 47 67.660 2.538 4.166 1.00 1.00 C ATOM 552 CG1 VAL A 47 66.583 3.599 4.398 1.00 1.00 C ATOM 553 CG2 VAL A 47 68.419 2.287 5.470 1.00 1.00 C ATOM 0 H VAL A 47 65.933 1.340 5.508 1.00 1.00 H new ATOM 0 HA VAL A 47 66.551 1.378 2.716 1.00 1.00 H new ATOM 0 HB VAL A 47 68.355 2.889 3.403 1.00 1.00 H new ATOM 0 HG11 VAL A 47 67.051 4.525 4.733 1.00 1.00 H new ATOM 0 HG12 VAL A 47 66.044 3.780 3.468 1.00 1.00 H new ATOM 0 HG13 VAL A 47 65.885 3.249 5.159 1.00 1.00 H new ATOM 0 HG21 VAL A 47 68.885 3.214 5.804 1.00 1.00 H new ATOM 0 HG22 VAL A 47 67.725 1.934 6.233 1.00 1.00 H new ATOM 0 HG23 VAL A 47 69.189 1.534 5.304 1.00 1.00 H new ATOM 563 N GLN A 48 68.379 -0.563 4.630 1.00 1.00 N ATOM 564 CA GLN A 48 69.429 -1.584 4.562 1.00 1.00 C ATOM 565 C GLN A 48 69.066 -2.713 3.599 1.00 1.00 C ATOM 566 O GLN A 48 69.847 -3.045 2.708 1.00 1.00 O ATOM 567 CB GLN A 48 69.680 -2.178 5.963 1.00 1.00 C ATOM 568 CG GLN A 48 70.850 -3.183 5.935 1.00 1.00 C ATOM 569 CD GLN A 48 71.033 -3.814 7.312 1.00 1.00 C ATOM 570 OE1 GLN A 48 70.129 -4.473 7.825 1.00 1.00 O ATOM 571 NE2 GLN A 48 72.164 -3.650 7.942 1.00 1.00 N ATOM 0 H GLN A 48 67.931 -0.461 5.541 1.00 1.00 H new ATOM 0 HA GLN A 48 70.331 -1.096 4.192 1.00 1.00 H new ATOM 0 HB2 GLN A 48 69.901 -1.376 6.668 1.00 1.00 H new ATOM 0 HB3 GLN A 48 68.777 -2.675 6.318 1.00 1.00 H new ATOM 0 HG2 GLN A 48 70.656 -3.958 5.194 1.00 1.00 H new ATOM 0 HG3 GLN A 48 71.767 -2.677 5.634 1.00 1.00 H new ATOM 0 HE21 GLN A 48 72.911 -3.103 7.514 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.301 -4.069 8.862 1.00 1.00 H new ATOM 580 N LYS A 49 67.895 -3.306 3.784 1.00 1.00 N ATOM 581 CA LYS A 49 67.472 -4.405 2.920 1.00 1.00 C ATOM 582 C LYS A 49 67.243 -3.917 1.509 1.00 1.00 C ATOM 583 O LYS A 49 67.608 -4.575 0.535 1.00 1.00 O ATOM 584 CB LYS A 49 66.194 -5.054 3.490 1.00 1.00 C ATOM 585 CG LYS A 49 65.464 -5.954 2.430 1.00 1.00 C ATOM 586 CD LYS A 49 64.943 -7.247 3.103 1.00 1.00 C ATOM 587 CE LYS A 49 64.353 -8.250 2.073 1.00 1.00 C ATOM 588 NZ LYS A 49 63.464 -7.520 1.132 1.00 1.00 N ATOM 0 H LYS A 49 67.228 -3.052 4.512 1.00 1.00 H new ATOM 0 HA LYS A 49 68.263 -5.155 2.889 1.00 1.00 H new ATOM 0 HB2 LYS A 49 66.452 -5.657 4.361 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.514 -4.274 3.832 1.00 1.00 H new ATOM 0 HG2 LYS A 49 64.634 -5.406 1.985 1.00 1.00 H new ATOM 0 HG3 LYS A 49 66.149 -6.206 1.621 1.00 1.00 H new ATOM 0 HD2 LYS A 49 65.758 -7.725 3.647 1.00 1.00 H new ATOM 0 HD3 LYS A 49 64.178 -6.990 3.836 1.00 1.00 H new ATOM 0 HE2 LYS A 49 65.157 -8.742 1.525 1.00 1.00 H new ATOM 0 HE3 LYS A 49 63.794 -9.031 2.588 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 62.682 -8.141 0.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 63.079 -6.676 1.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 64.008 -7.232 0.294 1.00 1.00 H new ATOM 602 N TYR A 50 66.643 -2.762 1.415 1.00 1.00 N ATOM 603 CA TYR A 50 66.357 -2.166 0.135 1.00 1.00 C ATOM 604 C TYR A 50 67.641 -2.024 -0.680 1.00 1.00 C ATOM 605 O TYR A 50 67.721 -2.495 -1.816 1.00 1.00 O ATOM 606 CB TYR A 50 65.737 -0.807 0.429 1.00 1.00 C ATOM 607 CG TYR A 50 65.835 0.113 -0.767 1.00 1.00 C ATOM 608 CD1 TYR A 50 65.153 -0.192 -1.948 1.00 1.00 C ATOM 609 CD2 TYR A 50 66.622 1.270 -0.689 1.00 1.00 C ATOM 610 CE1 TYR A 50 65.259 0.658 -3.054 1.00 1.00 C ATOM 611 CE2 TYR A 50 66.731 2.117 -1.792 1.00 1.00 C ATOM 612 CZ TYR A 50 66.049 1.814 -2.978 1.00 1.00 C ATOM 613 OH TYR A 50 66.160 2.644 -4.075 1.00 1.00 O ATOM 0 H TYR A 50 66.340 -2.209 2.217 1.00 1.00 H new ATOM 0 HA TYR A 50 65.677 -2.781 -0.455 1.00 1.00 H new ATOM 0 HB2 TYR A 50 64.691 -0.935 0.707 1.00 1.00 H new ATOM 0 HB3 TYR A 50 66.240 -0.352 1.282 1.00 1.00 H new ATOM 0 HD1 TYR A 50 64.545 -1.083 -2.007 1.00 1.00 H new ATOM 0 HD2 TYR A 50 67.145 1.506 0.226 1.00 1.00 H new ATOM 0 HE1 TYR A 50 64.732 0.424 -3.967 1.00 1.00 H new ATOM 0 HE2 TYR A 50 67.341 3.006 -1.732 1.00 1.00 H new ATOM 0 HH TYR A 50 65.932 3.561 -3.816 1.00 1.00 H new ATOM 623 N SER A 51 68.640 -1.380 -0.094 1.00 1.00 N ATOM 624 CA SER A 51 69.914 -1.197 -0.773 1.00 1.00 C ATOM 625 C SER A 51 70.704 -2.508 -0.841 1.00 1.00 C ATOM 626 O SER A 51 71.319 -2.820 -1.860 1.00 1.00 O ATOM 627 CB SER A 51 70.744 -0.130 -0.038 1.00 1.00 C ATOM 628 OG SER A 51 70.952 -0.542 1.305 1.00 1.00 O ATOM 0 H SER A 51 68.594 -0.978 0.843 1.00 1.00 H new ATOM 0 HA SER A 51 69.711 -0.871 -1.793 1.00 1.00 H new ATOM 0 HB2 SER A 51 71.701 0.012 -0.540 1.00 1.00 H new ATOM 0 HB3 SER A 51 70.227 0.829 -0.061 1.00 1.00 H new ATOM 0 HG SER A 51 70.220 -0.211 1.866 1.00 1.00 H new ATOM 634 N ASN A 52 70.724 -3.252 0.269 1.00 1.00 N ATOM 635 CA ASN A 52 71.492 -4.502 0.337 1.00 1.00 C ATOM 636 C ASN A 52 70.753 -5.724 -0.211 1.00 1.00 C ATOM 637 O ASN A 52 71.161 -6.304 -1.218 1.00 1.00 O ATOM 638 CB ASN A 52 71.872 -4.774 1.796 1.00 1.00 C ATOM 639 CG ASN A 52 73.105 -5.674 1.864 1.00 1.00 C ATOM 640 OD1 ASN A 52 73.481 -6.283 0.863 1.00 1.00 O ATOM 641 ND2 ASN A 52 73.760 -5.795 2.987 1.00 1.00 N ATOM 0 H ASN A 52 70.223 -3.015 1.125 1.00 1.00 H new ATOM 0 HA ASN A 52 72.368 -4.357 -0.296 1.00 1.00 H new ATOM 0 HB2 ASN A 52 72.072 -3.833 2.308 1.00 1.00 H new ATOM 0 HB3 ASN A 52 71.038 -5.248 2.314 1.00 1.00 H new ATOM 0 HD21 ASN A 52 74.584 -6.395 3.035 1.00 1.00 H new ATOM 0 HD22 ASN A 52 73.448 -5.290 3.816 1.00 1.00 H new ATOM 648 N SER A 53 69.691 -6.143 0.478 1.00 1.00 N ATOM 649 CA SER A 53 68.943 -7.336 0.068 1.00 1.00 C ATOM 650 C SER A 53 67.855 -6.987 -0.945 1.00 1.00 C ATOM 651 O SER A 53 66.710 -7.429 -0.833 1.00 1.00 O ATOM 652 CB SER A 53 68.347 -8.031 1.305 1.00 1.00 C ATOM 653 OG SER A 53 69.306 -8.943 1.823 1.00 1.00 O ATOM 0 H SER A 53 69.331 -5.682 1.313 1.00 1.00 H new ATOM 0 HA SER A 53 69.631 -8.025 -0.422 1.00 1.00 H new ATOM 0 HB2 SER A 53 68.081 -7.293 2.061 1.00 1.00 H new ATOM 0 HB3 SER A 53 67.431 -8.558 1.038 1.00 1.00 H new ATOM 0 HG SER A 53 68.938 -9.391 2.613 1.00 1.00 H new ATOM 659 N ALA A 54 68.232 -6.214 -1.948 1.00 1.00 N ATOM 660 CA ALA A 54 67.297 -5.834 -2.992 1.00 1.00 C ATOM 661 C ALA A 54 66.812 -7.073 -3.728 1.00 1.00 C ATOM 662 O ALA A 54 65.730 -7.087 -4.312 1.00 1.00 O ATOM 663 CB ALA A 54 67.962 -4.886 -3.980 1.00 1.00 C ATOM 0 H ALA A 54 69.174 -5.839 -2.062 1.00 1.00 H new ATOM 0 HA ALA A 54 66.449 -5.329 -2.531 1.00 1.00 H new ATOM 0 HB1 ALA A 54 67.248 -4.610 -4.756 1.00 1.00 H new ATOM 0 HB2 ALA A 54 68.293 -3.989 -3.457 1.00 1.00 H new ATOM 0 HB3 ALA A 54 68.821 -5.379 -4.435 1.00 1.00 H new ATOM 669 N LEU A 55 67.638 -8.109 -3.701 1.00 1.00 N ATOM 670 CA LEU A 55 67.309 -9.360 -4.379 1.00 1.00 C ATOM 671 C LEU A 55 66.300 -10.171 -3.560 1.00 1.00 C ATOM 672 O LEU A 55 65.841 -11.224 -3.999 1.00 1.00 O ATOM 673 CB LEU A 55 68.593 -10.185 -4.598 1.00 1.00 C ATOM 674 CG LEU A 55 69.359 -9.656 -5.823 1.00 1.00 C ATOM 675 CD1 LEU A 55 69.915 -8.261 -5.520 1.00 1.00 C ATOM 676 CD2 LEU A 55 70.522 -10.598 -6.165 1.00 1.00 C ATOM 0 H LEU A 55 68.537 -8.111 -3.220 1.00 1.00 H new ATOM 0 HA LEU A 55 66.859 -9.126 -5.344 1.00 1.00 H new ATOM 0 HB2 LEU A 55 69.226 -10.130 -3.712 1.00 1.00 H new ATOM 0 HB3 LEU A 55 68.339 -11.235 -4.744 1.00 1.00 H new ATOM 0 HG LEU A 55 68.675 -9.605 -6.670 1.00 1.00 H new ATOM 0 HD11 LEU A 55 70.457 -7.889 -6.389 1.00 1.00 H new ATOM 0 HD12 LEU A 55 69.093 -7.584 -5.288 1.00 1.00 H new ATOM 0 HD13 LEU A 55 70.591 -8.316 -4.667 1.00 1.00 H new ATOM 0 HD21 LEU A 55 71.058 -10.214 -7.033 1.00 1.00 H new ATOM 0 HD22 LEU A 55 71.203 -10.658 -5.316 1.00 1.00 H new ATOM 0 HD23 LEU A 55 70.132 -11.591 -6.389 1.00 1.00 H new ATOM 688 N GLY A 56 65.964 -9.681 -2.362 1.00 1.00 N ATOM 689 CA GLY A 56 65.012 -10.378 -1.485 1.00 1.00 C ATOM 690 C GLY A 56 63.648 -9.684 -1.438 1.00 1.00 C ATOM 691 O GLY A 56 62.674 -10.261 -0.959 1.00 1.00 O ATOM 0 H GLY A 56 66.333 -8.811 -1.978 1.00 1.00 H new ATOM 0 HA2 GLY A 56 64.884 -11.403 -1.834 1.00 1.00 H new ATOM 0 HA3 GLY A 56 65.424 -10.433 -0.477 1.00 1.00 H new ATOM 695 N HIS A 57 63.580 -8.442 -1.923 1.00 1.00 N ATOM 696 CA HIS A 57 62.318 -7.686 -1.908 1.00 1.00 C ATOM 697 C HIS A 57 61.595 -7.783 -3.244 1.00 1.00 C ATOM 698 O HIS A 57 60.437 -7.382 -3.362 1.00 1.00 O ATOM 699 CB HIS A 57 62.602 -6.204 -1.596 1.00 1.00 C ATOM 700 CG HIS A 57 63.252 -5.503 -2.764 1.00 1.00 C ATOM 701 ND1 HIS A 57 63.393 -6.082 -4.012 1.00 1.00 N ATOM 702 CD2 HIS A 57 63.805 -4.252 -2.868 1.00 1.00 C ATOM 703 CE1 HIS A 57 64.006 -5.193 -4.811 1.00 1.00 C ATOM 704 NE2 HIS A 57 64.283 -4.058 -4.164 1.00 1.00 N ATOM 0 H HIS A 57 64.371 -7.940 -2.327 1.00 1.00 H new ATOM 0 HA HIS A 57 61.680 -8.118 -1.137 1.00 1.00 H new ATOM 0 HB2 HIS A 57 61.669 -5.700 -1.342 1.00 1.00 H new ATOM 0 HB3 HIS A 57 63.250 -6.134 -0.723 1.00 1.00 H new ATOM 0 HD2 HIS A 57 63.862 -3.528 -2.069 1.00 1.00 H new ATOM 0 HE1 HIS A 57 64.245 -5.374 -5.849 1.00 1.00 H new ATOM 0 HE2 HIS A 57 64.744 -3.228 -4.537 1.00 1.00 H new ATOM 712 N VAL A 58 62.295 -8.273 -4.258 1.00 1.00 N ATOM 713 CA VAL A 58 61.709 -8.361 -5.586 1.00 1.00 C ATOM 714 C VAL A 58 60.728 -9.525 -5.725 1.00 1.00 C ATOM 715 O VAL A 58 59.538 -9.295 -5.946 1.00 1.00 O ATOM 716 CB VAL A 58 62.828 -8.454 -6.627 1.00 1.00 C ATOM 717 CG1 VAL A 58 63.564 -9.796 -6.520 1.00 1.00 C ATOM 718 CG2 VAL A 58 62.216 -8.296 -8.014 1.00 1.00 C ATOM 0 H VAL A 58 63.255 -8.611 -4.188 1.00 1.00 H new ATOM 0 HA VAL A 58 61.125 -7.456 -5.755 1.00 1.00 H new ATOM 0 HB VAL A 58 63.556 -7.662 -6.448 1.00 1.00 H new ATOM 0 HG11 VAL A 58 64.354 -9.838 -7.270 1.00 1.00 H new ATOM 0 HG12 VAL A 58 64.001 -9.893 -5.526 1.00 1.00 H new ATOM 0 HG13 VAL A 58 62.860 -10.611 -6.688 1.00 1.00 H new ATOM 0 HG21 VAL A 58 63.001 -8.360 -8.768 1.00 1.00 H new ATOM 0 HG22 VAL A 58 61.486 -9.088 -8.182 1.00 1.00 H new ATOM 0 HG23 VAL A 58 61.722 -7.327 -8.086 1.00 1.00 H new ATOM 728 N ASN A 59 61.195 -10.768 -5.605 1.00 1.00 N ATOM 729 CA ASN A 59 60.279 -11.895 -5.735 1.00 1.00 C ATOM 730 C ASN A 59 59.359 -11.996 -4.538 1.00 1.00 C ATOM 731 O ASN A 59 58.182 -12.330 -4.670 1.00 1.00 O ATOM 732 CB ASN A 59 60.999 -13.223 -5.916 1.00 1.00 C ATOM 733 CG ASN A 59 61.696 -13.253 -7.272 1.00 1.00 C ATOM 734 OD1 ASN A 59 61.340 -12.488 -8.168 1.00 1.00 O ATOM 735 ND2 ASN A 59 62.672 -14.095 -7.477 1.00 1.00 N ATOM 0 H ASN A 59 62.168 -11.013 -5.424 1.00 1.00 H new ATOM 0 HA ASN A 59 59.696 -11.698 -6.635 1.00 1.00 H new ATOM 0 HB2 ASN A 59 61.729 -13.363 -5.119 1.00 1.00 H new ATOM 0 HB3 ASN A 59 60.287 -14.046 -5.845 1.00 1.00 H new ATOM 0 HD21 ASN A 59 63.142 -14.120 -8.382 1.00 1.00 H new ATOM 0 HD22 ASN A 59 62.965 -14.728 -6.732 1.00 1.00 H new ATOM 742 N SER A 60 59.902 -11.722 -3.357 1.00 1.00 N ATOM 743 CA SER A 60 59.106 -11.806 -2.147 1.00 1.00 C ATOM 744 C SER A 60 57.819 -11.038 -2.351 1.00 1.00 C ATOM 745 O SER A 60 56.754 -11.452 -1.921 1.00 1.00 O ATOM 746 CB SER A 60 59.871 -11.218 -0.962 1.00 1.00 C ATOM 747 OG SER A 60 60.081 -9.829 -1.182 1.00 1.00 O ATOM 0 H SER A 60 60.873 -11.445 -3.216 1.00 1.00 H new ATOM 0 HA SER A 60 58.888 -12.852 -1.934 1.00 1.00 H new ATOM 0 HB2 SER A 60 59.310 -11.371 -0.040 1.00 1.00 H new ATOM 0 HB3 SER A 60 60.827 -11.728 -0.842 1.00 1.00 H new ATOM 0 HG SER A 60 61.021 -9.673 -1.411 1.00 1.00 H new ATOM 753 N THR A 61 57.924 -9.922 -3.037 1.00 1.00 N ATOM 754 CA THR A 61 56.757 -9.119 -3.307 1.00 1.00 C ATOM 755 C THR A 61 55.742 -9.899 -4.129 1.00 1.00 C ATOM 756 O THR A 61 54.565 -9.947 -3.801 1.00 1.00 O ATOM 757 CB THR A 61 57.172 -7.866 -4.080 1.00 1.00 C ATOM 758 OG1 THR A 61 58.076 -7.106 -3.288 1.00 1.00 O ATOM 759 CG2 THR A 61 55.939 -7.021 -4.401 1.00 1.00 C ATOM 0 H THR A 61 58.797 -9.554 -3.414 1.00 1.00 H new ATOM 0 HA THR A 61 56.300 -8.842 -2.357 1.00 1.00 H new ATOM 0 HB THR A 61 57.655 -8.159 -5.012 1.00 1.00 H new ATOM 0 HG1 THR A 61 58.967 -7.130 -3.695 1.00 1.00 H new ATOM 0 HG21 THR A 61 56.242 -6.130 -4.952 1.00 1.00 H new ATOM 0 HG22 THR A 61 55.246 -7.604 -5.007 1.00 1.00 H new ATOM 0 HG23 THR A 61 55.449 -6.725 -3.473 1.00 1.00 H new ATOM 767 N ILE A 62 56.194 -10.494 -5.216 1.00 1.00 N ATOM 768 CA ILE A 62 55.285 -11.228 -6.078 1.00 1.00 C ATOM 769 C ILE A 62 54.747 -12.479 -5.392 1.00 1.00 C ATOM 770 O ILE A 62 53.558 -12.784 -5.476 1.00 1.00 O ATOM 771 CB ILE A 62 55.983 -11.608 -7.379 1.00 1.00 C ATOM 772 CG1 ILE A 62 56.645 -10.347 -7.983 1.00 1.00 C ATOM 773 CG2 ILE A 62 54.944 -12.157 -8.362 1.00 1.00 C ATOM 774 CD1 ILE A 62 57.718 -10.739 -8.986 1.00 1.00 C ATOM 0 H ILE A 62 57.167 -10.486 -5.521 1.00 1.00 H new ATOM 0 HA ILE A 62 54.440 -10.576 -6.298 1.00 1.00 H new ATOM 0 HB ILE A 62 56.743 -12.366 -7.187 1.00 1.00 H new ATOM 0 HG12 ILE A 62 55.890 -9.731 -8.471 1.00 1.00 H new ATOM 0 HG13 ILE A 62 57.084 -9.743 -7.189 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.436 -12.431 -9.295 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.465 -13.037 -7.932 1.00 1.00 H new ATOM 0 HG23 ILE A 62 54.191 -11.394 -8.559 1.00 1.00 H new ATOM 0 HD11 ILE A 62 58.174 -9.840 -9.401 1.00 1.00 H new ATOM 0 HD12 ILE A 62 58.482 -11.336 -8.487 1.00 1.00 H new ATOM 0 HD13 ILE A 62 57.269 -11.323 -9.790 1.00 1.00 H new ATOM 786 N LYS A 63 55.640 -13.209 -4.736 1.00 1.00 N ATOM 787 CA LYS A 63 55.258 -14.443 -4.058 1.00 1.00 C ATOM 788 C LYS A 63 54.349 -14.201 -2.841 1.00 1.00 C ATOM 789 O LYS A 63 53.373 -14.920 -2.631 1.00 1.00 O ATOM 790 CB LYS A 63 56.531 -15.194 -3.600 1.00 1.00 C ATOM 791 CG LYS A 63 57.211 -15.866 -4.809 1.00 1.00 C ATOM 792 CD LYS A 63 56.605 -17.256 -5.049 1.00 1.00 C ATOM 793 CE LYS A 63 57.053 -17.785 -6.412 1.00 1.00 C ATOM 794 NZ LYS A 63 58.540 -17.877 -6.450 1.00 1.00 N ATOM 0 H LYS A 63 56.629 -12.971 -4.659 1.00 1.00 H new ATOM 0 HA LYS A 63 54.691 -15.038 -4.773 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.222 -14.498 -3.124 1.00 1.00 H new ATOM 0 HB3 LYS A 63 56.271 -15.945 -2.854 1.00 1.00 H new ATOM 0 HG2 LYS A 63 57.085 -15.247 -5.697 1.00 1.00 H new ATOM 0 HG3 LYS A 63 58.283 -15.954 -4.631 1.00 1.00 H new ATOM 0 HD2 LYS A 63 56.919 -17.941 -4.261 1.00 1.00 H new ATOM 0 HD3 LYS A 63 55.517 -17.201 -5.009 1.00 1.00 H new ATOM 0 HE2 LYS A 63 56.613 -18.766 -6.595 1.00 1.00 H new ATOM 0 HE3 LYS A 63 56.699 -17.124 -7.204 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 58.831 -18.463 -7.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 58.944 -16.924 -6.550 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 58.884 -18.308 -5.568 1.00 1.00 H new ATOM 808 N GLU A 64 54.718 -13.222 -2.019 1.00 1.00 N ATOM 809 CA GLU A 64 53.986 -12.921 -0.782 1.00 1.00 C ATOM 810 C GLU A 64 52.619 -12.264 -0.994 1.00 1.00 C ATOM 811 O GLU A 64 51.712 -12.495 -0.210 1.00 1.00 O ATOM 812 CB GLU A 64 54.835 -12.002 0.085 1.00 1.00 C ATOM 813 CG GLU A 64 56.156 -12.692 0.433 1.00 1.00 C ATOM 814 CD GLU A 64 55.924 -13.769 1.483 1.00 1.00 C ATOM 815 OE1 GLU A 64 55.377 -13.445 2.521 1.00 1.00 O ATOM 816 OE2 GLU A 64 56.299 -14.902 1.234 1.00 1.00 O ATOM 0 H GLU A 64 55.523 -12.618 -2.185 1.00 1.00 H new ATOM 0 HA GLU A 64 53.796 -13.882 -0.305 1.00 1.00 H new ATOM 0 HB2 GLU A 64 55.030 -11.068 -0.442 1.00 1.00 H new ATOM 0 HB3 GLU A 64 54.296 -11.747 0.997 1.00 1.00 H new ATOM 0 HG2 GLU A 64 56.591 -13.135 -0.463 1.00 1.00 H new ATOM 0 HG3 GLU A 64 56.871 -11.958 0.805 1.00 1.00 H new ATOM 823 N LEU A 65 52.464 -11.415 -2.001 1.00 1.00 N ATOM 824 CA LEU A 65 51.173 -10.732 -2.194 1.00 1.00 C ATOM 825 C LEU A 65 49.984 -11.659 -1.920 1.00 1.00 C ATOM 826 O LEU A 65 49.022 -11.254 -1.269 1.00 1.00 O ATOM 827 CB LEU A 65 51.087 -10.133 -3.617 1.00 1.00 C ATOM 828 CG LEU A 65 51.279 -8.606 -3.572 1.00 1.00 C ATOM 829 CD1 LEU A 65 52.655 -8.230 -2.975 1.00 1.00 C ATOM 830 CD2 LEU A 65 51.144 -8.052 -4.998 1.00 1.00 C ATOM 0 H LEU A 65 53.186 -11.181 -2.683 1.00 1.00 H new ATOM 0 HA LEU A 65 51.120 -9.921 -1.467 1.00 1.00 H new ATOM 0 HB2 LEU A 65 51.849 -10.583 -4.254 1.00 1.00 H new ATOM 0 HB3 LEU A 65 50.120 -10.371 -4.060 1.00 1.00 H new ATOM 0 HG LEU A 65 50.516 -8.169 -2.928 1.00 1.00 H new ATOM 0 HD11 LEU A 65 52.760 -7.145 -2.957 1.00 1.00 H new ATOM 0 HD12 LEU A 65 52.729 -8.619 -1.959 1.00 1.00 H new ATOM 0 HD13 LEU A 65 53.447 -8.661 -3.587 1.00 1.00 H new ATOM 0 HD21 LEU A 65 51.278 -6.970 -4.982 1.00 1.00 H new ATOM 0 HD22 LEU A 65 51.904 -8.502 -5.637 1.00 1.00 H new ATOM 0 HD23 LEU A 65 50.154 -8.290 -5.388 1.00 1.00 H new ATOM 842 N ARG A 66 50.055 -12.889 -2.401 1.00 1.00 N ATOM 843 CA ARG A 66 48.970 -13.832 -2.168 1.00 1.00 C ATOM 844 C ARG A 66 48.840 -14.084 -0.664 1.00 1.00 C ATOM 845 O ARG A 66 47.746 -14.293 -0.138 1.00 1.00 O ATOM 846 CB ARG A 66 49.252 -15.154 -2.900 1.00 1.00 C ATOM 847 CG ARG A 66 49.945 -14.859 -4.235 1.00 1.00 C ATOM 848 CD ARG A 66 49.998 -16.135 -5.078 1.00 1.00 C ATOM 849 NE ARG A 66 50.720 -15.884 -6.324 1.00 1.00 N ATOM 850 CZ ARG A 66 50.101 -15.397 -7.396 1.00 1.00 C ATOM 851 NH1 ARG A 66 48.822 -15.138 -7.352 1.00 1.00 N ATOM 852 NH2 ARG A 66 50.773 -15.178 -8.493 1.00 1.00 N ATOM 0 H ARG A 66 50.836 -13.255 -2.945 1.00 1.00 H new ATOM 0 HA ARG A 66 48.038 -13.415 -2.551 1.00 1.00 H new ATOM 0 HB2 ARG A 66 49.882 -15.796 -2.285 1.00 1.00 H new ATOM 0 HB3 ARG A 66 48.320 -15.693 -3.073 1.00 1.00 H new ATOM 0 HG2 ARG A 66 49.406 -14.078 -4.772 1.00 1.00 H new ATOM 0 HG3 ARG A 66 50.954 -14.486 -4.058 1.00 1.00 H new ATOM 0 HD2 ARG A 66 50.490 -16.930 -4.518 1.00 1.00 H new ATOM 0 HD3 ARG A 66 48.987 -16.478 -5.297 1.00 1.00 H new ATOM 0 HE ARG A 66 51.719 -16.086 -6.372 1.00 1.00 H new ATOM 0 HH11 ARG A 66 48.296 -15.309 -6.495 1.00 1.00 H new ATOM 0 HH12 ARG A 66 48.349 -14.765 -8.175 1.00 1.00 H new ATOM 0 HH21 ARG A 66 51.772 -15.380 -8.528 1.00 1.00 H new ATOM 0 HH22 ARG A 66 50.299 -14.805 -9.315 1.00 1.00 H new ATOM 866 N ARG A 67 49.987 -14.078 0.000 1.00 1.00 N ATOM 867 CA ARG A 67 50.081 -14.312 1.432 1.00 1.00 C ATOM 868 C ARG A 67 49.433 -13.194 2.250 1.00 1.00 C ATOM 869 O ARG A 67 48.826 -13.453 3.287 1.00 1.00 O ATOM 870 CB ARG A 67 51.560 -14.411 1.812 1.00 1.00 C ATOM 871 CG ARG A 67 51.677 -15.021 3.196 1.00 1.00 C ATOM 872 CD ARG A 67 53.150 -15.109 3.611 1.00 1.00 C ATOM 873 NE ARG A 67 53.277 -15.867 4.850 1.00 1.00 N ATOM 874 CZ ARG A 67 54.384 -15.807 5.582 1.00 1.00 C ATOM 875 NH1 ARG A 67 55.384 -15.063 5.195 1.00 1.00 N ATOM 876 NH2 ARG A 67 54.472 -16.495 6.688 1.00 1.00 N ATOM 0 H ARG A 67 50.888 -13.908 -0.447 1.00 1.00 H new ATOM 0 HA ARG A 67 49.547 -15.235 1.657 1.00 1.00 H new ATOM 0 HB2 ARG A 67 52.095 -15.022 1.085 1.00 1.00 H new ATOM 0 HB3 ARG A 67 52.019 -13.423 1.797 1.00 1.00 H new ATOM 0 HG2 ARG A 67 51.124 -14.417 3.916 1.00 1.00 H new ATOM 0 HG3 ARG A 67 51.229 -16.015 3.203 1.00 1.00 H new ATOM 0 HD2 ARG A 67 53.730 -15.587 2.822 1.00 1.00 H new ATOM 0 HD3 ARG A 67 53.559 -14.107 3.745 1.00 1.00 H new ATOM 0 HE ARG A 67 52.502 -16.454 5.160 1.00 1.00 H new ATOM 0 HH11 ARG A 67 55.316 -14.527 4.330 1.00 1.00 H new ATOM 0 HH12 ARG A 67 56.234 -15.018 5.758 1.00 1.00 H new ATOM 0 HH21 ARG A 67 53.691 -17.078 6.989 1.00 1.00 H new ATOM 0 HH22 ARG A 67 55.322 -16.450 7.251 1.00 1.00 H new ATOM 890 N LEU A 68 49.598 -11.950 1.808 1.00 1.00 N ATOM 891 CA LEU A 68 49.053 -10.812 2.557 1.00 1.00 C ATOM 892 C LEU A 68 47.545 -10.918 2.704 1.00 1.00 C ATOM 893 O LEU A 68 46.999 -10.660 3.773 1.00 1.00 O ATOM 894 CB LEU A 68 49.396 -9.482 1.859 1.00 1.00 C ATOM 895 CG LEU A 68 48.785 -8.290 2.623 1.00 1.00 C ATOM 896 CD1 LEU A 68 49.283 -8.279 4.076 1.00 1.00 C ATOM 897 CD2 LEU A 68 49.196 -6.985 1.934 1.00 1.00 C ATOM 0 H LEU A 68 50.094 -11.703 0.952 1.00 1.00 H new ATOM 0 HA LEU A 68 49.509 -10.832 3.547 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.478 -9.366 1.800 1.00 1.00 H new ATOM 0 HB3 LEU A 68 49.020 -9.495 0.836 1.00 1.00 H new ATOM 0 HG LEU A 68 47.699 -8.385 2.622 1.00 1.00 H new ATOM 0 HD11 LEU A 68 48.844 -7.433 4.605 1.00 1.00 H new ATOM 0 HD12 LEU A 68 48.989 -9.206 4.568 1.00 1.00 H new ATOM 0 HD13 LEU A 68 50.369 -8.190 4.088 1.00 1.00 H new ATOM 0 HD21 LEU A 68 48.766 -6.139 2.471 1.00 1.00 H new ATOM 0 HD22 LEU A 68 50.283 -6.900 1.934 1.00 1.00 H new ATOM 0 HD23 LEU A 68 48.832 -6.986 0.907 1.00 1.00 H new ATOM 909 N PHE A 69 46.881 -11.279 1.625 1.00 1.00 N ATOM 910 CA PHE A 69 45.431 -11.391 1.644 1.00 1.00 C ATOM 911 C PHE A 69 44.979 -12.541 2.543 1.00 1.00 C ATOM 912 O PHE A 69 44.001 -12.409 3.281 1.00 1.00 O ATOM 913 CB PHE A 69 44.917 -11.596 0.218 1.00 1.00 C ATOM 914 CG PHE A 69 45.545 -10.596 -0.754 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.164 -9.401 -0.310 1.00 1.00 C ATOM 916 CD2 PHE A 69 45.503 -10.881 -2.124 1.00 1.00 C ATOM 917 CE1 PHE A 69 46.727 -8.517 -1.239 1.00 1.00 C ATOM 918 CE2 PHE A 69 46.066 -9.997 -3.050 1.00 1.00 C ATOM 919 CZ PHE A 69 46.681 -8.813 -2.611 1.00 1.00 C ATOM 0 H PHE A 69 47.315 -11.499 0.729 1.00 1.00 H new ATOM 0 HA PHE A 69 45.015 -10.469 2.051 1.00 1.00 H new ATOM 0 HB2 PHE A 69 45.141 -12.612 -0.108 1.00 1.00 H new ATOM 0 HB3 PHE A 69 43.832 -11.488 0.202 1.00 1.00 H new ATOM 0 HD1 PHE A 69 46.202 -9.172 0.745 1.00 1.00 H new ATOM 0 HD2 PHE A 69 45.032 -11.790 -2.468 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.197 -7.606 -0.900 1.00 1.00 H new ATOM 0 HE2 PHE A 69 46.028 -10.225 -4.105 1.00 1.00 H new ATOM 0 HZ PHE A 69 47.117 -8.132 -3.327 1.00 1.00 H new ATOM 929 N LEU A 70 45.683 -13.664 2.482 1.00 1.00 N ATOM 930 CA LEU A 70 45.322 -14.818 3.303 1.00 1.00 C ATOM 931 C LEU A 70 45.463 -14.493 4.789 1.00 1.00 C ATOM 932 O LEU A 70 44.607 -14.858 5.596 1.00 1.00 O ATOM 933 CB LEU A 70 46.213 -16.012 2.947 1.00 1.00 C ATOM 934 CG LEU A 70 45.892 -16.507 1.529 1.00 1.00 C ATOM 935 CD1 LEU A 70 46.971 -17.502 1.088 1.00 1.00 C ATOM 936 CD2 LEU A 70 44.511 -17.195 1.492 1.00 1.00 C ATOM 0 H LEU A 70 46.496 -13.802 1.882 1.00 1.00 H new ATOM 0 HA LEU A 70 44.281 -15.070 3.101 1.00 1.00 H new ATOM 0 HB2 LEU A 70 47.262 -15.724 3.011 1.00 1.00 H new ATOM 0 HB3 LEU A 70 46.059 -16.817 3.665 1.00 1.00 H new ATOM 0 HG LEU A 70 45.872 -15.652 0.853 1.00 1.00 H new ATOM 0 HD11 LEU A 70 46.749 -17.857 0.082 1.00 1.00 H new ATOM 0 HD12 LEU A 70 47.944 -17.010 1.093 1.00 1.00 H new ATOM 0 HD13 LEU A 70 46.989 -18.348 1.776 1.00 1.00 H new ATOM 0 HD21 LEU A 70 44.303 -17.538 0.479 1.00 1.00 H new ATOM 0 HD22 LEU A 70 44.511 -18.047 2.171 1.00 1.00 H new ATOM 0 HD23 LEU A 70 43.743 -16.486 1.800 1.00 1.00 H new ATOM 948 N VAL A 71 46.551 -13.813 5.150 1.00 1.00 N ATOM 949 CA VAL A 71 46.795 -13.452 6.555 1.00 1.00 C ATOM 950 C VAL A 71 46.249 -12.060 6.878 1.00 1.00 C ATOM 951 O VAL A 71 46.098 -11.700 8.045 1.00 1.00 O ATOM 952 CB VAL A 71 48.303 -13.533 6.878 1.00 1.00 C ATOM 953 CG1 VAL A 71 49.064 -12.316 6.330 1.00 1.00 C ATOM 954 CG2 VAL A 71 48.496 -13.597 8.398 1.00 1.00 C ATOM 0 H VAL A 71 47.273 -13.502 4.500 1.00 1.00 H new ATOM 0 HA VAL A 71 46.264 -14.169 7.181 1.00 1.00 H new ATOM 0 HB VAL A 71 48.700 -14.430 6.403 1.00 1.00 H new ATOM 0 HG11 VAL A 71 50.122 -12.407 6.576 1.00 1.00 H new ATOM 0 HG12 VAL A 71 48.946 -12.270 5.247 1.00 1.00 H new ATOM 0 HG13 VAL A 71 48.665 -11.406 6.777 1.00 1.00 H new ATOM 0 HG21 VAL A 71 49.560 -13.654 8.628 1.00 1.00 H new ATOM 0 HG22 VAL A 71 48.073 -12.703 8.856 1.00 1.00 H new ATOM 0 HG23 VAL A 71 47.992 -14.479 8.792 1.00 1.00 H new ATOM 964 N ASP A 72 45.947 -11.282 5.843 1.00 1.00 N ATOM 965 CA ASP A 72 45.412 -9.934 6.039 1.00 1.00 C ATOM 966 C ASP A 72 46.133 -9.210 7.177 1.00 1.00 C ATOM 967 O ASP A 72 45.520 -8.846 8.182 1.00 1.00 O ATOM 968 CB ASP A 72 43.909 -10.010 6.341 1.00 1.00 C ATOM 969 CG ASP A 72 43.681 -10.643 7.709 1.00 1.00 C ATOM 970 OD1 ASP A 72 43.753 -11.858 7.796 1.00 1.00 O ATOM 971 OD2 ASP A 72 43.433 -9.906 8.648 1.00 1.00 O ATOM 0 H ASP A 72 46.061 -11.556 4.867 1.00 1.00 H new ATOM 0 HA ASP A 72 45.574 -9.369 5.121 1.00 1.00 H new ATOM 0 HB2 ASP A 72 43.474 -9.011 6.317 1.00 1.00 H new ATOM 0 HB3 ASP A 72 43.405 -10.595 5.572 1.00 1.00 H new ATOM 976 N ASP A 73 47.441 -9.000 7.010 1.00 1.00 N ATOM 977 CA ASP A 73 48.255 -8.312 8.021 1.00 1.00 C ATOM 978 C ASP A 73 48.675 -6.927 7.529 1.00 1.00 C ATOM 979 O ASP A 73 49.662 -6.364 8.003 1.00 1.00 O ATOM 980 CB ASP A 73 49.504 -9.142 8.337 1.00 1.00 C ATOM 981 CG ASP A 73 49.125 -10.364 9.168 1.00 1.00 C ATOM 982 OD1 ASP A 73 48.007 -10.403 9.655 1.00 1.00 O ATOM 983 OD2 ASP A 73 49.957 -11.247 9.301 1.00 1.00 O ATOM 0 H ASP A 73 47.962 -9.296 6.184 1.00 1.00 H new ATOM 0 HA ASP A 73 47.654 -8.195 8.923 1.00 1.00 H new ATOM 0 HB2 ASP A 73 49.985 -9.457 7.411 1.00 1.00 H new ATOM 0 HB3 ASP A 73 50.227 -8.533 8.880 1.00 1.00 H new ATOM 988 N LEU A 74 47.925 -6.384 6.574 1.00 1.00 N ATOM 989 CA LEU A 74 48.231 -5.065 6.023 1.00 1.00 C ATOM 990 C LEU A 74 48.234 -4.002 7.127 1.00 1.00 C ATOM 991 O LEU A 74 48.890 -2.970 7.001 1.00 1.00 O ATOM 992 CB LEU A 74 47.212 -4.712 4.914 1.00 1.00 C ATOM 993 CG LEU A 74 45.891 -4.152 5.515 1.00 1.00 C ATOM 994 CD1 LEU A 74 45.919 -2.611 5.533 1.00 1.00 C ATOM 995 CD2 LEU A 74 44.695 -4.621 4.670 1.00 1.00 C ATOM 0 H LEU A 74 47.105 -6.833 6.167 1.00 1.00 H new ATOM 0 HA LEU A 74 49.229 -5.087 5.585 1.00 1.00 H new ATOM 0 HB2 LEU A 74 47.647 -3.975 4.239 1.00 1.00 H new ATOM 0 HB3 LEU A 74 46.996 -5.600 4.320 1.00 1.00 H new ATOM 0 HG LEU A 74 45.792 -4.522 6.536 1.00 1.00 H new ATOM 0 HD11 LEU A 74 44.988 -2.235 5.956 1.00 1.00 H new ATOM 0 HD12 LEU A 74 46.757 -2.269 6.140 1.00 1.00 H new ATOM 0 HD13 LEU A 74 46.032 -2.237 4.515 1.00 1.00 H new ATOM 0 HD21 LEU A 74 43.772 -4.226 5.095 1.00 1.00 H new ATOM 0 HD22 LEU A 74 44.808 -4.259 3.648 1.00 1.00 H new ATOM 0 HD23 LEU A 74 44.656 -5.710 4.667 1.00 1.00 H new ATOM 1007 N VAL A 75 47.503 -4.256 8.208 1.00 1.00 N ATOM 1008 CA VAL A 75 47.445 -3.312 9.310 1.00 1.00 C ATOM 1009 C VAL A 75 48.790 -3.247 10.032 1.00 1.00 C ATOM 1010 O VAL A 75 49.268 -2.166 10.378 1.00 1.00 O ATOM 1011 CB VAL A 75 46.338 -3.732 10.284 1.00 1.00 C ATOM 1012 CG1 VAL A 75 44.975 -3.266 9.763 1.00 1.00 C ATOM 1013 CG2 VAL A 75 46.324 -5.256 10.425 1.00 1.00 C ATOM 0 H VAL A 75 46.948 -5.101 8.341 1.00 1.00 H new ATOM 0 HA VAL A 75 47.222 -2.320 8.917 1.00 1.00 H new ATOM 0 HB VAL A 75 46.532 -3.274 11.254 1.00 1.00 H new ATOM 0 HG11 VAL A 75 44.195 -3.569 10.462 1.00 1.00 H new ATOM 0 HG12 VAL A 75 44.974 -2.180 9.667 1.00 1.00 H new ATOM 0 HG13 VAL A 75 44.784 -3.717 8.789 1.00 1.00 H new ATOM 0 HG21 VAL A 75 45.536 -5.550 11.118 1.00 1.00 H new ATOM 0 HG22 VAL A 75 46.139 -5.710 9.451 1.00 1.00 H new ATOM 0 HG23 VAL A 75 47.287 -5.595 10.806 1.00 1.00 H new ATOM 1023 N ASP A 76 49.396 -4.408 10.253 1.00 1.00 N ATOM 1024 CA ASP A 76 50.686 -4.473 10.928 1.00 1.00 C ATOM 1025 C ASP A 76 51.803 -4.058 9.987 1.00 1.00 C ATOM 1026 O ASP A 76 52.933 -3.819 10.415 1.00 1.00 O ATOM 1027 CB ASP A 76 50.935 -5.896 11.425 1.00 1.00 C ATOM 1028 CG ASP A 76 50.022 -6.208 12.605 1.00 1.00 C ATOM 1029 OD1 ASP A 76 49.456 -5.277 13.154 1.00 1.00 O ATOM 1030 OD2 ASP A 76 49.904 -7.374 12.944 1.00 1.00 O ATOM 0 H ASP A 76 49.016 -5.313 9.976 1.00 1.00 H new ATOM 0 HA ASP A 76 50.671 -3.787 11.775 1.00 1.00 H new ATOM 0 HB2 ASP A 76 50.756 -6.607 10.619 1.00 1.00 H new ATOM 0 HB3 ASP A 76 51.978 -6.008 11.723 1.00 1.00 H new ATOM 1035 N SER A 77 51.478 -3.962 8.705 1.00 1.00 N ATOM 1036 CA SER A 77 52.459 -3.559 7.716 1.00 1.00 C ATOM 1037 C SER A 77 52.720 -2.063 7.816 1.00 1.00 C ATOM 1038 O SER A 77 53.204 -1.446 6.870 1.00 1.00 O ATOM 1039 CB SER A 77 51.967 -3.900 6.316 1.00 1.00 C ATOM 1040 OG SER A 77 52.878 -3.371 5.366 1.00 1.00 O ATOM 0 H SER A 77 50.549 -4.157 8.331 1.00 1.00 H new ATOM 0 HA SER A 77 53.387 -4.098 7.908 1.00 1.00 H new ATOM 0 HB2 SER A 77 51.885 -4.981 6.198 1.00 1.00 H new ATOM 0 HB3 SER A 77 50.972 -3.485 6.155 1.00 1.00 H new ATOM 0 HG SER A 77 53.445 -4.091 5.020 1.00 1.00 H new ATOM 1046 N LEU A 78 52.384 -1.497 8.974 1.00 1.00 N ATOM 1047 CA LEU A 78 52.571 -0.081 9.225 1.00 1.00 C ATOM 1048 C LEU A 78 51.733 0.750 8.264 1.00 1.00 C ATOM 1049 O LEU A 78 52.258 1.409 7.366 1.00 1.00 O ATOM 1050 CB LEU A 78 54.054 0.275 9.093 1.00 1.00 C ATOM 1051 CG LEU A 78 54.910 -0.600 10.062 1.00 1.00 C ATOM 1052 CD1 LEU A 78 55.758 -1.609 9.271 1.00 1.00 C ATOM 1053 CD2 LEU A 78 55.864 0.292 10.874 1.00 1.00 C ATOM 0 H LEU A 78 51.977 -2.009 9.757 1.00 1.00 H new ATOM 0 HA LEU A 78 52.242 0.144 10.239 1.00 1.00 H new ATOM 0 HB2 LEU A 78 54.382 0.119 8.065 1.00 1.00 H new ATOM 0 HB3 LEU A 78 54.203 1.331 9.318 1.00 1.00 H new ATOM 0 HG LEU A 78 54.227 -1.130 10.727 1.00 1.00 H new ATOM 0 HD11 LEU A 78 56.348 -2.210 9.963 1.00 1.00 H new ATOM 0 HD12 LEU A 78 55.103 -2.260 8.692 1.00 1.00 H new ATOM 0 HD13 LEU A 78 56.425 -1.073 8.596 1.00 1.00 H new ATOM 0 HD21 LEU A 78 56.457 -0.327 11.547 1.00 1.00 H new ATOM 0 HD22 LEU A 78 56.527 0.828 10.195 1.00 1.00 H new ATOM 0 HD23 LEU A 78 55.285 1.009 11.456 1.00 1.00 H new ATOM 1065 N LYS A 79 50.420 0.712 8.470 1.00 1.00 N ATOM 1066 CA LYS A 79 49.497 1.459 7.630 1.00 1.00 C ATOM 1067 C LYS A 79 49.757 1.162 6.158 1.00 1.00 C ATOM 1068 O LYS A 79 49.017 0.370 5.597 1.00 1.00 O ATOM 1069 CB LYS A 79 49.658 2.958 7.885 1.00 1.00 C ATOM 1070 CG LYS A 79 49.419 3.282 9.367 1.00 1.00 C ATOM 1071 CD LYS A 79 47.917 3.318 9.668 1.00 1.00 C ATOM 1072 CE LYS A 79 47.695 3.751 11.119 1.00 1.00 C ATOM 1073 NZ LYS A 79 48.167 5.153 11.300 1.00 1.00 N ATOM 1074 OXT LYS A 79 50.691 1.726 5.614 1.00 1.00 O ATOM 0 H LYS A 79 49.974 0.172 9.211 1.00 1.00 H new ATOM 0 HA LYS A 79 48.480 1.155 7.878 1.00 1.00 H new ATOM 0 HB2 LYS A 79 50.659 3.277 7.594 1.00 1.00 H new ATOM 0 HB3 LYS A 79 48.954 3.515 7.267 1.00 1.00 H new ATOM 0 HG2 LYS A 79 49.904 2.533 9.993 1.00 1.00 H new ATOM 0 HG3 LYS A 79 49.869 4.244 9.613 1.00 1.00 H new ATOM 0 HD2 LYS A 79 47.417 4.010 8.991 1.00 1.00 H new ATOM 0 HD3 LYS A 79 47.478 2.334 9.500 1.00 1.00 H new ATOM 0 HE2 LYS A 79 46.638 3.677 11.374 1.00 1.00 H new ATOM 0 HE3 LYS A 79 48.233 3.085 11.794 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 47.425 5.711 11.769 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 49.026 5.157 11.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 48.379 5.570 10.371 1.00 1.00 H new TER 1088 LYS A 79