USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 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 51 SER OG : rot -26:sc= 0.207 USER MOD Set 1.2: A 52 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0.21) USER MOD Set 2.1: A 38 SER OG : rot -57:sc= 0.386 USER MOD Set 2.2: A 57 HIS : no HD1:sc= -5.1! C(o=-4.7!,f=-6.1!) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -174:sc= -0.509! (180deg=-0.0234) USER MOD Set 3.2: A 50 TYR OH : rot 180:sc= -1.16! USER MOD Single : A 13 MET CE :methyl 156:sc= -0.149 (180deg=-1.05) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= -0.0838 (180deg=-0.67) USER MOD Single : A 21 GLN : amide:sc= -4.27! C(o=-4.3!,f=-6.1!) USER MOD Single : A 24 GLN : amide:sc= -3! C(o=-3!,f=-3.6!) USER MOD Single : A 26 SER OG : rot -38:sc= 1.2 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -3.86! C(o=-4.5!,f=-3.9!) USER MOD Single : A 35 TYR OH : rot 168:sc= 0.126 USER MOD Single : A 43 SER OG : rot -98:sc= 0.674 USER MOD Single : A 48 GLN : amide:sc= -0.245 K(o=-0.25,f=-2.8!) USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= -3.27! (180deg=-8.01!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.363 USER MOD Single : A 59 ASN : amide:sc= -2.66! C(o=-2.7!,f=-7.2!) USER MOD Single : A 60 SER OG : rot -20:sc= -0.559 USER MOD Single : A 61 THR OG1 : rot 71:sc= 0.672 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -89:sc= -0.0574 USER MOD Single : A 79 LYS NZ :NH3+ 145:sc= 1.17 (180deg=-0.455) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 61.678 4.383 13.672 1.00 1.00 N ATOM 2 CA MET A 13 60.438 4.893 13.021 1.00 1.00 C ATOM 3 C MET A 13 60.733 5.233 11.563 1.00 1.00 C ATOM 4 O MET A 13 59.871 5.091 10.700 1.00 1.00 O ATOM 5 CB MET A 13 59.955 6.145 13.762 1.00 1.00 C ATOM 6 CG MET A 13 61.152 7.047 14.070 1.00 1.00 C ATOM 7 SD MET A 13 60.563 8.616 14.758 1.00 1.00 S ATOM 8 CE MET A 13 59.882 7.954 16.299 1.00 1.00 C ATOM 0 HA MET A 13 59.661 4.130 13.060 1.00 1.00 H new ATOM 0 HB2 MET A 13 59.227 6.683 13.154 1.00 1.00 H new ATOM 0 HB3 MET A 13 59.451 5.862 14.686 1.00 1.00 H new ATOM 0 HG2 MET A 13 61.819 6.555 14.777 1.00 1.00 H new ATOM 0 HG3 MET A 13 61.727 7.229 13.162 1.00 1.00 H new ATOM 0 HE1 MET A 13 59.853 8.742 17.052 1.00 1.00 H new ATOM 0 HE2 MET A 13 58.872 7.584 16.121 1.00 1.00 H new ATOM 0 HE3 MET A 13 60.511 7.137 16.653 1.00 1.00 H new ATOM 18 N ARG A 14 61.959 5.670 11.298 1.00 1.00 N ATOM 19 CA ARG A 14 62.375 6.031 9.958 1.00 1.00 C ATOM 20 C ARG A 14 61.832 5.047 8.925 1.00 1.00 C ATOM 21 O ARG A 14 61.674 5.387 7.756 1.00 1.00 O ATOM 22 CB ARG A 14 63.895 6.053 9.903 1.00 1.00 C ATOM 23 CG ARG A 14 64.330 6.551 8.539 1.00 1.00 C ATOM 24 CD ARG A 14 65.846 6.742 8.533 1.00 1.00 C ATOM 25 NE ARG A 14 66.297 7.198 7.222 1.00 1.00 N ATOM 26 CZ ARG A 14 67.572 7.498 7.000 1.00 1.00 C ATOM 27 NH1 ARG A 14 68.446 7.386 7.962 1.00 1.00 N ATOM 28 NH2 ARG A 14 67.949 7.905 5.819 1.00 1.00 N ATOM 0 H ARG A 14 62.685 5.782 12.005 1.00 1.00 H new ATOM 0 HA ARG A 14 61.975 7.017 9.720 1.00 1.00 H new ATOM 0 HB2 ARG A 14 64.291 6.701 10.685 1.00 1.00 H new ATOM 0 HB3 ARG A 14 64.293 5.055 10.084 1.00 1.00 H new ATOM 0 HG2 ARG A 14 64.038 5.837 7.768 1.00 1.00 H new ATOM 0 HG3 ARG A 14 63.832 7.492 8.307 1.00 1.00 H new ATOM 0 HD2 ARG A 14 66.130 7.468 9.295 1.00 1.00 H new ATOM 0 HD3 ARG A 14 66.338 5.803 8.787 1.00 1.00 H new ATOM 0 HE ARG A 14 65.622 7.288 6.463 1.00 1.00 H new ATOM 0 HH11 ARG A 14 68.151 7.068 8.885 1.00 1.00 H new ATOM 0 HH12 ARG A 14 69.425 7.616 7.791 1.00 1.00 H new ATOM 0 HH21 ARG A 14 67.265 7.993 5.067 1.00 1.00 H new ATOM 0 HH22 ARG A 14 68.928 8.136 5.647 1.00 1.00 H new ATOM 42 N ILE A 15 61.558 3.831 9.364 1.00 1.00 N ATOM 43 CA ILE A 15 61.038 2.795 8.470 1.00 1.00 C ATOM 44 C ILE A 15 59.888 3.368 7.640 1.00 1.00 C ATOM 45 O ILE A 15 59.877 3.269 6.412 1.00 1.00 O ATOM 46 CB ILE A 15 60.548 1.567 9.298 1.00 1.00 C ATOM 47 CG1 ILE A 15 60.887 1.775 10.784 1.00 1.00 C ATOM 48 CG2 ILE A 15 61.240 0.281 8.813 1.00 1.00 C ATOM 49 CD1 ILE A 15 60.388 0.579 11.596 1.00 1.00 C ATOM 0 H ILE A 15 61.684 3.531 10.331 1.00 1.00 H new ATOM 0 HA ILE A 15 61.832 2.465 7.801 1.00 1.00 H new ATOM 0 HB ILE A 15 59.470 1.472 9.167 1.00 1.00 H new ATOM 0 HG12 ILE A 15 61.964 1.889 10.909 1.00 1.00 H new ATOM 0 HG13 ILE A 15 60.425 2.693 11.148 1.00 1.00 H new ATOM 0 HG21 ILE A 15 60.887 -0.566 9.401 1.00 1.00 H new ATOM 0 HG22 ILE A 15 61.005 0.116 7.761 1.00 1.00 H new ATOM 0 HG23 ILE A 15 62.319 0.381 8.932 1.00 1.00 H new ATOM 0 HD11 ILE A 15 60.629 0.728 12.649 1.00 1.00 H new ATOM 0 HD12 ILE A 15 59.308 0.486 11.481 1.00 1.00 H new ATOM 0 HD13 ILE A 15 60.871 -0.330 11.238 1.00 1.00 H new ATOM 61 N TYR A 16 58.938 3.984 8.327 1.00 1.00 N ATOM 62 CA TYR A 16 57.792 4.599 7.668 1.00 1.00 C ATOM 63 C TYR A 16 58.296 5.680 6.717 1.00 1.00 C ATOM 64 O TYR A 16 57.836 5.796 5.582 1.00 1.00 O ATOM 65 CB TYR A 16 56.823 5.171 8.754 1.00 1.00 C ATOM 66 CG TYR A 16 56.836 6.703 8.788 1.00 1.00 C ATOM 67 CD1 TYR A 16 57.811 7.390 9.538 1.00 1.00 C ATOM 68 CD2 TYR A 16 55.874 7.444 8.070 1.00 1.00 C ATOM 69 CE1 TYR A 16 57.829 8.780 9.568 1.00 1.00 C ATOM 70 CE2 TYR A 16 55.900 8.843 8.105 1.00 1.00 C ATOM 71 CZ TYR A 16 56.876 9.512 8.853 1.00 1.00 C ATOM 72 OH TYR A 16 56.897 10.891 8.886 1.00 1.00 O ATOM 0 H TYR A 16 58.937 4.072 9.343 1.00 1.00 H new ATOM 0 HA TYR A 16 57.235 3.868 7.082 1.00 1.00 H new ATOM 0 HB2 TYR A 16 55.810 4.822 8.555 1.00 1.00 H new ATOM 0 HB3 TYR A 16 57.107 4.785 9.733 1.00 1.00 H new ATOM 0 HD1 TYR A 16 58.550 6.833 10.094 1.00 1.00 H new ATOM 0 HD2 TYR A 16 55.118 6.932 7.494 1.00 1.00 H new ATOM 0 HE1 TYR A 16 58.582 9.296 10.146 1.00 1.00 H new ATOM 0 HE2 TYR A 16 55.164 9.409 7.553 1.00 1.00 H new ATOM 0 HH TYR A 16 56.167 11.243 8.334 1.00 1.00 H new ATOM 82 N LYS A 17 59.258 6.451 7.189 1.00 1.00 N ATOM 83 CA LYS A 17 59.842 7.500 6.373 1.00 1.00 C ATOM 84 C LYS A 17 60.548 6.875 5.180 1.00 1.00 C ATOM 85 O LYS A 17 60.580 7.449 4.098 1.00 1.00 O ATOM 86 CB LYS A 17 60.835 8.326 7.193 1.00 1.00 C ATOM 87 CG LYS A 17 61.307 9.522 6.363 1.00 1.00 C ATOM 88 CD LYS A 17 62.209 10.416 7.217 1.00 1.00 C ATOM 89 CE LYS A 17 62.651 11.627 6.393 1.00 1.00 C ATOM 90 NZ LYS A 17 63.381 11.162 5.180 1.00 1.00 N ATOM 0 H LYS A 17 59.650 6.372 8.127 1.00 1.00 H new ATOM 0 HA LYS A 17 59.050 8.162 6.024 1.00 1.00 H new ATOM 0 HB2 LYS A 17 60.365 8.671 8.114 1.00 1.00 H new ATOM 0 HB3 LYS A 17 61.687 7.710 7.481 1.00 1.00 H new ATOM 0 HG2 LYS A 17 61.849 9.176 5.483 1.00 1.00 H new ATOM 0 HG3 LYS A 17 60.449 10.090 6.005 1.00 1.00 H new ATOM 0 HD2 LYS A 17 61.675 10.744 8.109 1.00 1.00 H new ATOM 0 HD3 LYS A 17 63.080 9.855 7.556 1.00 1.00 H new ATOM 0 HE2 LYS A 17 61.783 12.220 6.104 1.00 1.00 H new ATOM 0 HE3 LYS A 17 63.293 12.273 6.992 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 64.184 11.796 4.994 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 63.732 10.195 5.335 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 62.737 11.170 4.363 1.00 1.00 H new ATOM 104 N GLY A 18 61.107 5.687 5.386 1.00 1.00 N ATOM 105 CA GLY A 18 61.799 4.977 4.317 1.00 1.00 C ATOM 106 C GLY A 18 60.810 4.439 3.292 1.00 1.00 C ATOM 107 O GLY A 18 61.133 4.305 2.112 1.00 1.00 O ATOM 0 H GLY A 18 61.094 5.197 6.281 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.506 5.647 3.829 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.377 4.154 4.737 1.00 1.00 H new ATOM 111 N VAL A 19 59.611 4.105 3.760 1.00 1.00 N ATOM 112 CA VAL A 19 58.591 3.550 2.886 1.00 1.00 C ATOM 113 C VAL A 19 58.208 4.572 1.818 1.00 1.00 C ATOM 114 O VAL A 19 57.622 4.231 0.792 1.00 1.00 O ATOM 115 CB VAL A 19 57.361 3.114 3.708 1.00 1.00 C ATOM 116 CG1 VAL A 19 56.133 2.934 2.787 1.00 1.00 C ATOM 117 CG2 VAL A 19 57.659 1.778 4.402 1.00 1.00 C ATOM 0 H VAL A 19 59.326 4.209 4.734 1.00 1.00 H new ATOM 0 HA VAL A 19 58.989 2.667 2.386 1.00 1.00 H new ATOM 0 HB VAL A 19 57.145 3.884 4.448 1.00 1.00 H new ATOM 0 HG11 VAL A 19 55.274 2.626 3.383 1.00 1.00 H new ATOM 0 HG12 VAL A 19 55.910 3.878 2.289 1.00 1.00 H new ATOM 0 HG13 VAL A 19 56.348 2.171 2.039 1.00 1.00 H new ATOM 0 HG21 VAL A 19 56.791 1.468 4.983 1.00 1.00 H new ATOM 0 HG22 VAL A 19 57.882 1.020 3.651 1.00 1.00 H new ATOM 0 HG23 VAL A 19 58.516 1.896 5.065 1.00 1.00 H new ATOM 127 N ILE A 20 58.552 5.824 2.075 1.00 1.00 N ATOM 128 CA ILE A 20 58.261 6.903 1.133 1.00 1.00 C ATOM 129 C ILE A 20 58.828 6.524 -0.213 1.00 1.00 C ATOM 130 O ILE A 20 58.280 6.877 -1.247 1.00 1.00 O ATOM 131 CB ILE A 20 58.945 8.199 1.630 1.00 1.00 C ATOM 132 CG1 ILE A 20 58.136 8.819 2.798 1.00 1.00 C ATOM 133 CG2 ILE A 20 59.100 9.238 0.496 1.00 1.00 C ATOM 134 CD1 ILE A 20 56.700 9.183 2.359 1.00 1.00 C ATOM 0 H ILE A 20 59.032 6.122 2.924 1.00 1.00 H new ATOM 0 HA ILE A 20 57.186 7.064 1.055 1.00 1.00 H new ATOM 0 HB ILE A 20 59.942 7.928 1.978 1.00 1.00 H new ATOM 0 HG12 ILE A 20 58.096 8.115 3.629 1.00 1.00 H new ATOM 0 HG13 ILE A 20 58.645 9.712 3.161 1.00 1.00 H new ATOM 0 HG21 ILE A 20 59.584 10.133 0.886 1.00 1.00 H new ATOM 0 HG22 ILE A 20 59.708 8.816 -0.304 1.00 1.00 H new ATOM 0 HG23 ILE A 20 58.117 9.499 0.105 1.00 1.00 H new ATOM 0 HD11 ILE A 20 56.160 9.615 3.202 1.00 1.00 H new ATOM 0 HD12 ILE A 20 56.741 9.906 1.545 1.00 1.00 H new ATOM 0 HD13 ILE A 20 56.184 8.284 2.020 1.00 1.00 H new ATOM 146 N GLN A 21 59.933 5.792 -0.190 1.00 1.00 N ATOM 147 CA GLN A 21 60.562 5.359 -1.428 1.00 1.00 C ATOM 148 C GLN A 21 59.495 4.764 -2.339 1.00 1.00 C ATOM 149 O GLN A 21 59.514 4.968 -3.551 1.00 1.00 O ATOM 150 CB GLN A 21 61.631 4.300 -1.126 1.00 1.00 C ATOM 151 CG GLN A 21 62.799 4.940 -0.368 1.00 1.00 C ATOM 152 CD GLN A 21 63.798 3.867 0.050 1.00 1.00 C ATOM 153 OE1 GLN A 21 63.409 2.738 0.349 1.00 1.00 O ATOM 154 NE2 GLN A 21 65.070 4.155 0.093 1.00 1.00 N ATOM 0 H GLN A 21 60.407 5.489 0.661 1.00 1.00 H new ATOM 0 HA GLN A 21 61.036 6.210 -1.917 1.00 1.00 H new ATOM 0 HB2 GLN A 21 61.199 3.494 -0.533 1.00 1.00 H new ATOM 0 HB3 GLN A 21 61.989 3.856 -2.055 1.00 1.00 H new ATOM 0 HG2 GLN A 21 63.291 5.681 -0.999 1.00 1.00 H new ATOM 0 HG3 GLN A 21 62.428 5.466 0.512 1.00 1.00 H new ATOM 0 HE21 GLN A 21 65.390 5.091 -0.155 1.00 1.00 H new ATOM 0 HE22 GLN A 21 65.745 3.444 0.375 1.00 1.00 H new ATOM 163 N ALA A 22 58.542 4.062 -1.734 1.00 1.00 N ATOM 164 CA ALA A 22 57.444 3.474 -2.492 1.00 1.00 C ATOM 165 C ALA A 22 56.626 4.585 -3.143 1.00 1.00 C ATOM 166 O ALA A 22 56.041 4.401 -4.211 1.00 1.00 O ATOM 167 CB ALA A 22 56.535 2.641 -1.571 1.00 1.00 C ATOM 0 H ALA A 22 58.508 3.888 -0.730 1.00 1.00 H new ATOM 0 HA ALA A 22 57.858 2.820 -3.259 1.00 1.00 H new ATOM 0 HB1 ALA A 22 55.722 2.211 -2.155 1.00 1.00 H new ATOM 0 HB2 ALA A 22 57.116 1.841 -1.113 1.00 1.00 H new ATOM 0 HB3 ALA A 22 56.122 3.281 -0.791 1.00 1.00 H new ATOM 173 N ILE A 23 56.584 5.739 -2.473 1.00 1.00 N ATOM 174 CA ILE A 23 55.828 6.890 -2.964 1.00 1.00 C ATOM 175 C ILE A 23 56.682 7.786 -3.873 1.00 1.00 C ATOM 176 O ILE A 23 56.213 8.258 -4.909 1.00 1.00 O ATOM 177 CB ILE A 23 55.308 7.710 -1.773 1.00 1.00 C ATOM 178 CG1 ILE A 23 54.283 6.874 -1.001 1.00 1.00 C ATOM 179 CG2 ILE A 23 54.645 8.995 -2.284 1.00 1.00 C ATOM 180 CD1 ILE A 23 53.924 7.570 0.315 1.00 1.00 C ATOM 0 H ILE A 23 57.066 5.900 -1.588 1.00 1.00 H new ATOM 0 HA ILE A 23 54.992 6.515 -3.554 1.00 1.00 H new ATOM 0 HB ILE A 23 56.137 7.973 -1.116 1.00 1.00 H new ATOM 0 HG12 ILE A 23 53.386 6.735 -1.605 1.00 1.00 H new ATOM 0 HG13 ILE A 23 54.688 5.883 -0.799 1.00 1.00 H new ATOM 0 HG21 ILE A 23 54.277 9.576 -1.438 1.00 1.00 H new ATOM 0 HG22 ILE A 23 55.374 9.585 -2.839 1.00 1.00 H new ATOM 0 HG23 ILE A 23 53.812 8.739 -2.939 1.00 1.00 H new ATOM 0 HD11 ILE A 23 53.195 6.969 0.857 1.00 1.00 H new ATOM 0 HD12 ILE A 23 54.822 7.686 0.922 1.00 1.00 H new ATOM 0 HD13 ILE A 23 53.500 8.551 0.104 1.00 1.00 H new ATOM 192 N GLN A 24 57.924 8.028 -3.471 1.00 1.00 N ATOM 193 CA GLN A 24 58.824 8.882 -4.242 1.00 1.00 C ATOM 194 C GLN A 24 59.223 8.249 -5.577 1.00 1.00 C ATOM 195 O GLN A 24 59.408 8.952 -6.571 1.00 1.00 O ATOM 196 CB GLN A 24 60.086 9.178 -3.424 1.00 1.00 C ATOM 197 CG GLN A 24 61.088 9.993 -4.266 1.00 1.00 C ATOM 198 CD GLN A 24 61.942 9.061 -5.125 1.00 1.00 C ATOM 199 OE1 GLN A 24 61.959 9.183 -6.350 1.00 1.00 O ATOM 200 NE2 GLN A 24 62.653 8.129 -4.550 1.00 1.00 N ATOM 0 H GLN A 24 58.332 7.646 -2.617 1.00 1.00 H new ATOM 0 HA GLN A 24 58.287 9.806 -4.459 1.00 1.00 H new ATOM 0 HB2 GLN A 24 59.822 9.732 -2.523 1.00 1.00 H new ATOM 0 HB3 GLN A 24 60.546 8.244 -3.101 1.00 1.00 H new ATOM 0 HG2 GLN A 24 60.551 10.695 -4.903 1.00 1.00 H new ATOM 0 HG3 GLN A 24 61.729 10.583 -3.611 1.00 1.00 H new ATOM 0 HE21 GLN A 24 62.638 8.029 -3.535 1.00 1.00 H new ATOM 0 HE22 GLN A 24 63.224 7.501 -5.116 1.00 1.00 H new ATOM 209 N LYS A 25 59.383 6.930 -5.598 1.00 1.00 N ATOM 210 CA LYS A 25 59.792 6.247 -6.827 1.00 1.00 C ATOM 211 C LYS A 25 59.082 6.826 -8.052 1.00 1.00 C ATOM 212 O LYS A 25 59.716 7.449 -8.901 1.00 1.00 O ATOM 213 CB LYS A 25 59.503 4.738 -6.714 1.00 1.00 C ATOM 214 CG LYS A 25 60.659 4.016 -5.989 1.00 1.00 C ATOM 215 CD LYS A 25 61.769 3.656 -6.991 1.00 1.00 C ATOM 216 CE LYS A 25 62.735 2.662 -6.357 1.00 1.00 C ATOM 217 NZ LYS A 25 63.517 3.345 -5.286 1.00 1.00 N ATOM 0 H LYS A 25 59.239 6.318 -4.794 1.00 1.00 H new ATOM 0 HA LYS A 25 60.863 6.402 -6.956 1.00 1.00 H new ATOM 0 HB2 LYS A 25 58.571 4.580 -6.171 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.368 4.313 -7.708 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.061 4.655 -5.203 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.287 3.112 -5.506 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.332 3.228 -7.893 1.00 1.00 H new ATOM 0 HD3 LYS A 25 62.305 4.556 -7.293 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.184 1.819 -5.939 1.00 1.00 H new ATOM 0 HE3 LYS A 25 63.408 2.259 -7.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.246 2.698 -4.922 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.972 4.195 -5.677 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.879 3.619 -4.511 1.00 1.00 H new ATOM 231 N SER A 26 57.773 6.611 -8.140 1.00 1.00 N ATOM 232 CA SER A 26 56.998 7.105 -9.264 1.00 1.00 C ATOM 233 C SER A 26 57.125 6.142 -10.422 1.00 1.00 C ATOM 234 O SER A 26 58.221 5.929 -10.929 1.00 1.00 O ATOM 235 CB SER A 26 57.478 8.487 -9.707 1.00 1.00 C ATOM 236 OG SER A 26 58.481 8.338 -10.705 1.00 1.00 O ATOM 0 H SER A 26 57.231 6.098 -7.445 1.00 1.00 H new ATOM 0 HA SER A 26 55.958 7.187 -8.949 1.00 1.00 H new ATOM 0 HB2 SER A 26 56.642 9.067 -10.099 1.00 1.00 H new ATOM 0 HB3 SER A 26 57.876 9.037 -8.854 1.00 1.00 H new ATOM 0 HG SER A 26 59.046 7.568 -10.488 1.00 1.00 H new ATOM 242 N ASP A 27 55.996 5.565 -10.795 1.00 1.00 N ATOM 243 CA ASP A 27 55.910 4.589 -11.881 1.00 1.00 C ATOM 244 C ASP A 27 55.926 3.181 -11.275 1.00 1.00 C ATOM 245 O ASP A 27 56.114 2.190 -11.983 1.00 1.00 O ATOM 246 CB ASP A 27 57.055 4.767 -12.919 1.00 1.00 C ATOM 247 CG ASP A 27 58.317 3.966 -12.537 1.00 1.00 C ATOM 248 OD1 ASP A 27 58.460 3.641 -11.369 1.00 1.00 O ATOM 249 OD2 ASP A 27 59.117 3.694 -13.416 1.00 1.00 O ATOM 0 H ASP A 27 55.099 5.760 -10.350 1.00 1.00 H new ATOM 0 HA ASP A 27 54.979 4.747 -12.425 1.00 1.00 H new ATOM 0 HB2 ASP A 27 56.706 4.446 -13.901 1.00 1.00 H new ATOM 0 HB3 ASP A 27 57.308 5.824 -13.000 1.00 1.00 H new ATOM 254 N GLU A 28 55.742 3.117 -9.948 1.00 1.00 N ATOM 255 CA GLU A 28 55.744 1.841 -9.239 1.00 1.00 C ATOM 256 C GLU A 28 54.590 0.949 -9.689 1.00 1.00 C ATOM 257 O GLU A 28 54.571 -0.246 -9.411 1.00 1.00 O ATOM 258 CB GLU A 28 55.681 2.064 -7.718 1.00 1.00 C ATOM 259 CG GLU A 28 57.011 2.637 -7.209 1.00 1.00 C ATOM 260 CD GLU A 28 58.126 1.606 -7.368 1.00 1.00 C ATOM 261 OE1 GLU A 28 57.809 0.431 -7.457 1.00 1.00 O ATOM 262 OE2 GLU A 28 59.279 2.004 -7.389 1.00 1.00 O ATOM 0 H GLU A 28 55.591 3.931 -9.353 1.00 1.00 H new ATOM 0 HA GLU A 28 56.677 1.333 -9.482 1.00 1.00 H new ATOM 0 HB2 GLU A 28 54.867 2.747 -7.477 1.00 1.00 H new ATOM 0 HB3 GLU A 28 55.466 1.122 -7.214 1.00 1.00 H new ATOM 0 HG2 GLU A 28 57.261 3.542 -7.763 1.00 1.00 H new ATOM 0 HG3 GLU A 28 56.915 2.921 -6.161 1.00 1.00 H new ATOM 269 N GLY A 29 53.625 1.537 -10.385 1.00 1.00 N ATOM 270 CA GLY A 29 52.466 0.791 -10.864 1.00 1.00 C ATOM 271 C GLY A 29 51.347 0.872 -9.850 1.00 1.00 C ATOM 272 O GLY A 29 50.483 0.000 -9.793 1.00 1.00 O ATOM 0 H GLY A 29 53.621 2.527 -10.631 1.00 1.00 H new ATOM 0 HA2 GLY A 29 52.132 1.195 -11.820 1.00 1.00 H new ATOM 0 HA3 GLY A 29 52.738 -0.250 -11.036 1.00 1.00 H new ATOM 276 N HIS A 30 51.389 1.913 -9.026 1.00 1.00 N ATOM 277 CA HIS A 30 50.410 2.095 -7.977 1.00 1.00 C ATOM 278 C HIS A 30 50.121 0.763 -7.279 1.00 1.00 C ATOM 279 O HIS A 30 48.960 0.377 -7.141 1.00 1.00 O ATOM 280 CB HIS A 30 49.117 2.711 -8.541 1.00 1.00 C ATOM 281 CG HIS A 30 48.807 2.143 -9.899 1.00 1.00 C ATOM 282 ND1 HIS A 30 48.135 1.010 -10.292 1.00 1.00 N flip ATOM 283 CD2 HIS A 30 49.211 2.768 -11.067 1.00 1.00 C flip ATOM 284 CE1 HIS A 30 48.123 0.934 -11.682 1.00 1.00 C flip ATOM 285 NE2 HIS A 30 48.784 2.017 -12.099 1.00 1.00 N flip ATOM 0 H HIS A 30 52.098 2.645 -9.070 1.00 1.00 H new ATOM 0 HA HIS A 30 50.818 2.786 -7.239 1.00 1.00 H new ATOM 0 HB2 HIS A 30 48.288 2.515 -7.861 1.00 1.00 H new ATOM 0 HB3 HIS A 30 49.224 3.794 -8.610 1.00 1.00 H new ATOM 0 HD2 HIS A 30 49.768 3.691 -11.137 1.00 1.00 H new ATOM 0 HE1 HIS A 30 47.675 0.164 -12.293 1.00 1.00 H new ATOM 0 HE2 HIS A 30 48.945 2.247 -13.080 1.00 1.00 H new ATOM 293 N PRO A 31 51.147 0.045 -6.820 1.00 1.00 N ATOM 294 CA PRO A 31 50.940 -1.252 -6.105 1.00 1.00 C ATOM 295 C PRO A 31 50.351 -0.986 -4.725 1.00 1.00 C ATOM 296 O PRO A 31 49.797 -1.871 -4.083 1.00 1.00 O ATOM 297 CB PRO A 31 52.355 -1.890 -6.023 1.00 1.00 C ATOM 298 CG PRO A 31 53.239 -1.039 -6.884 1.00 1.00 C ATOM 299 CD PRO A 31 52.601 0.357 -6.888 1.00 1.00 C ATOM 0 HA PRO A 31 50.241 -1.918 -6.612 1.00 1.00 H new ATOM 0 HB2 PRO A 31 52.715 -1.911 -4.994 1.00 1.00 H new ATOM 0 HB3 PRO A 31 52.340 -2.921 -6.377 1.00 1.00 H new ATOM 0 HG2 PRO A 31 54.254 -1.004 -6.488 1.00 1.00 H new ATOM 0 HG3 PRO A 31 53.305 -1.442 -7.895 1.00 1.00 H new ATOM 0 HD2 PRO A 31 52.928 0.955 -6.038 1.00 1.00 H new ATOM 0 HD3 PRO A 31 52.855 0.917 -7.788 1.00 1.00 H new ATOM 307 N PHE A 32 50.498 0.263 -4.291 1.00 1.00 N ATOM 308 CA PHE A 32 50.004 0.711 -2.992 1.00 1.00 C ATOM 309 C PHE A 32 50.037 -0.407 -1.937 1.00 1.00 C ATOM 310 O PHE A 32 51.019 -0.547 -1.208 1.00 1.00 O ATOM 311 CB PHE A 32 48.576 1.237 -3.151 1.00 1.00 C ATOM 312 CG PHE A 32 48.136 1.936 -1.885 1.00 1.00 C ATOM 313 CD1 PHE A 32 48.784 3.111 -1.471 1.00 1.00 C ATOM 314 CD2 PHE A 32 47.078 1.418 -1.128 1.00 1.00 C ATOM 315 CE1 PHE A 32 48.375 3.761 -0.304 1.00 1.00 C ATOM 316 CE2 PHE A 32 46.667 2.070 0.037 1.00 1.00 C ATOM 317 CZ PHE A 32 47.315 3.242 0.452 1.00 1.00 C ATOM 0 H PHE A 32 50.963 0.993 -4.830 1.00 1.00 H new ATOM 0 HA PHE A 32 50.663 1.504 -2.639 1.00 1.00 H new ATOM 0 HB2 PHE A 32 48.526 1.927 -3.993 1.00 1.00 H new ATOM 0 HB3 PHE A 32 47.899 0.412 -3.374 1.00 1.00 H new ATOM 0 HD1 PHE A 32 49.599 3.512 -2.055 1.00 1.00 H new ATOM 0 HD2 PHE A 32 46.579 0.514 -1.445 1.00 1.00 H new ATOM 0 HE1 PHE A 32 48.875 4.663 0.016 1.00 1.00 H new ATOM 0 HE2 PHE A 32 45.849 1.671 0.619 1.00 1.00 H new ATOM 0 HZ PHE A 32 46.998 3.745 1.354 1.00 1.00 H new ATOM 327 N ARG A 33 48.961 -1.192 -1.854 1.00 1.00 N ATOM 328 CA ARG A 33 48.890 -2.274 -0.879 1.00 1.00 C ATOM 329 C ARG A 33 49.868 -3.389 -1.214 1.00 1.00 C ATOM 330 O ARG A 33 50.457 -3.993 -0.329 1.00 1.00 O ATOM 331 CB ARG A 33 47.462 -2.829 -0.785 1.00 1.00 C ATOM 332 CG ARG A 33 46.900 -3.078 -2.197 1.00 1.00 C ATOM 333 CD ARG A 33 45.487 -3.682 -2.104 1.00 1.00 C ATOM 334 NE ARG A 33 44.972 -3.964 -3.439 1.00 1.00 N ATOM 335 CZ ARG A 33 44.374 -3.020 -4.161 1.00 1.00 C ATOM 336 NH1 ARG A 33 44.254 -1.813 -3.683 1.00 1.00 N ATOM 337 NH2 ARG A 33 43.910 -3.303 -5.348 1.00 1.00 N ATOM 0 H ARG A 33 48.136 -1.098 -2.446 1.00 1.00 H new ATOM 0 HA ARG A 33 49.169 -1.861 0.090 1.00 1.00 H new ATOM 0 HB2 ARG A 33 47.461 -3.758 -0.215 1.00 1.00 H new ATOM 0 HB3 ARG A 33 46.824 -2.126 -0.249 1.00 1.00 H new ATOM 0 HG2 ARG A 33 46.868 -2.142 -2.755 1.00 1.00 H new ATOM 0 HG3 ARG A 33 47.557 -3.753 -2.745 1.00 1.00 H new ATOM 0 HD2 ARG A 33 45.513 -4.599 -1.515 1.00 1.00 H new ATOM 0 HD3 ARG A 33 44.821 -2.991 -1.588 1.00 1.00 H new ATOM 0 HE ARG A 33 45.072 -4.902 -3.826 1.00 1.00 H new ATOM 0 HH11 ARG A 33 44.618 -1.593 -2.756 1.00 1.00 H new ATOM 0 HH12 ARG A 33 43.796 -1.089 -4.236 1.00 1.00 H new ATOM 0 HH21 ARG A 33 44.006 -4.247 -5.721 1.00 1.00 H new ATOM 0 HH22 ARG A 33 43.451 -2.580 -5.902 1.00 1.00 H new ATOM 351 N ALA A 34 50.045 -3.670 -2.486 1.00 1.00 N ATOM 352 CA ALA A 34 50.969 -4.728 -2.861 1.00 1.00 C ATOM 353 C ALA A 34 52.345 -4.464 -2.227 1.00 1.00 C ATOM 354 O ALA A 34 53.086 -5.401 -1.933 1.00 1.00 O ATOM 355 CB ALA A 34 51.085 -4.862 -4.398 1.00 1.00 C ATOM 0 H ALA A 34 49.579 -3.199 -3.261 1.00 1.00 H new ATOM 0 HA ALA A 34 50.580 -5.674 -2.485 1.00 1.00 H new ATOM 0 HB1 ALA A 34 51.784 -5.662 -4.642 1.00 1.00 H new ATOM 0 HB2 ALA A 34 50.106 -5.095 -4.818 1.00 1.00 H new ATOM 0 HB3 ALA A 34 51.447 -3.924 -4.819 1.00 1.00 H new ATOM 361 N TYR A 35 52.671 -3.184 -2.009 1.00 1.00 N ATOM 362 CA TYR A 35 53.954 -2.822 -1.386 1.00 1.00 C ATOM 363 C TYR A 35 53.968 -3.234 0.103 1.00 1.00 C ATOM 364 O TYR A 35 55.027 -3.517 0.662 1.00 1.00 O ATOM 365 CB TYR A 35 54.242 -1.277 -1.516 1.00 1.00 C ATOM 366 CG TYR A 35 55.499 -1.003 -2.367 1.00 1.00 C ATOM 367 CD1 TYR A 35 56.783 -1.066 -1.770 1.00 1.00 C ATOM 368 CD2 TYR A 35 55.406 -0.686 -3.748 1.00 1.00 C ATOM 369 CE1 TYR A 35 57.931 -0.821 -2.536 1.00 1.00 C ATOM 370 CE2 TYR A 35 56.564 -0.445 -4.497 1.00 1.00 C ATOM 371 CZ TYR A 35 57.820 -0.513 -3.894 1.00 1.00 C ATOM 372 OH TYR A 35 58.955 -0.275 -4.642 1.00 1.00 O ATOM 0 H TYR A 35 52.076 -2.391 -2.250 1.00 1.00 H new ATOM 0 HA TYR A 35 54.740 -3.361 -1.915 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.382 -0.783 -1.967 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.373 -0.846 -0.523 1.00 1.00 H new ATOM 0 HD1 TYR A 35 56.877 -1.304 -0.721 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.438 -0.631 -4.223 1.00 1.00 H new ATOM 0 HE1 TYR A 35 58.906 -0.871 -2.074 1.00 1.00 H new ATOM 0 HE2 TYR A 35 56.484 -0.205 -5.547 1.00 1.00 H new ATOM 0 HH TYR A 35 58.723 -0.266 -5.594 1.00 1.00 H new ATOM 382 N LEU A 36 52.789 -3.236 0.737 1.00 1.00 N ATOM 383 CA LEU A 36 52.677 -3.583 2.161 1.00 1.00 C ATOM 384 C LEU A 36 53.174 -4.999 2.435 1.00 1.00 C ATOM 385 O LEU A 36 53.780 -5.262 3.474 1.00 1.00 O ATOM 386 CB LEU A 36 51.222 -3.441 2.635 1.00 1.00 C ATOM 387 CG LEU A 36 50.958 -1.983 3.063 1.00 1.00 C ATOM 388 CD1 LEU A 36 51.466 -0.983 2.005 1.00 1.00 C ATOM 389 CD2 LEU A 36 49.464 -1.801 3.262 1.00 1.00 C ATOM 0 H LEU A 36 51.902 -3.003 0.290 1.00 1.00 H new ATOM 0 HA LEU A 36 53.307 -2.889 2.717 1.00 1.00 H new ATOM 0 HB2 LEU A 36 50.539 -3.725 1.835 1.00 1.00 H new ATOM 0 HB3 LEU A 36 51.033 -4.116 3.470 1.00 1.00 H new ATOM 0 HG LEU A 36 51.496 -1.786 3.990 1.00 1.00 H new ATOM 0 HD11 LEU A 36 51.264 0.035 2.339 1.00 1.00 H new ATOM 0 HD12 LEU A 36 52.539 -1.113 1.867 1.00 1.00 H new ATOM 0 HD13 LEU A 36 50.955 -1.163 1.059 1.00 1.00 H new ATOM 0 HD21 LEU A 36 49.260 -0.774 3.565 1.00 1.00 H new ATOM 0 HD22 LEU A 36 48.944 -2.014 2.328 1.00 1.00 H new ATOM 0 HD23 LEU A 36 49.114 -2.484 4.036 1.00 1.00 H new ATOM 401 N GLU A 37 52.904 -5.907 1.517 1.00 1.00 N ATOM 402 CA GLU A 37 53.314 -7.280 1.688 1.00 1.00 C ATOM 403 C GLU A 37 54.801 -7.365 2.031 1.00 1.00 C ATOM 404 O GLU A 37 55.182 -8.006 3.011 1.00 1.00 O ATOM 405 CB GLU A 37 53.048 -8.023 0.387 1.00 1.00 C ATOM 406 CG GLU A 37 53.527 -9.469 0.486 1.00 1.00 C ATOM 407 CD GLU A 37 52.812 -10.195 1.621 1.00 1.00 C ATOM 408 OE1 GLU A 37 53.193 -9.990 2.763 1.00 1.00 O ATOM 409 OE2 GLU A 37 51.906 -10.952 1.334 1.00 1.00 O ATOM 0 H GLU A 37 52.404 -5.716 0.649 1.00 1.00 H new ATOM 0 HA GLU A 37 52.751 -7.726 2.508 1.00 1.00 H new ATOM 0 HB2 GLU A 37 51.982 -8.002 0.162 1.00 1.00 H new ATOM 0 HB3 GLU A 37 53.558 -7.521 -0.435 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.342 -9.984 -0.456 1.00 1.00 H new ATOM 0 HG3 GLU A 37 54.604 -9.490 0.655 1.00 1.00 H new ATOM 416 N SER A 38 55.634 -6.731 1.206 1.00 1.00 N ATOM 417 CA SER A 38 57.077 -6.761 1.412 1.00 1.00 C ATOM 418 C SER A 38 57.472 -6.011 2.686 1.00 1.00 C ATOM 419 O SER A 38 58.465 -6.346 3.324 1.00 1.00 O ATOM 420 CB SER A 38 57.781 -6.133 0.199 1.00 1.00 C ATOM 421 OG SER A 38 57.790 -4.718 0.351 1.00 1.00 O ATOM 0 H SER A 38 55.334 -6.193 0.393 1.00 1.00 H new ATOM 0 HA SER A 38 57.386 -7.800 1.523 1.00 1.00 H new ATOM 0 HB2 SER A 38 58.801 -6.510 0.119 1.00 1.00 H new ATOM 0 HB3 SER A 38 57.266 -6.410 -0.721 1.00 1.00 H new ATOM 0 HG SER A 38 56.870 -4.393 0.445 1.00 1.00 H new ATOM 427 N GLU A 39 56.694 -4.998 3.053 1.00 1.00 N ATOM 428 CA GLU A 39 56.992 -4.212 4.241 1.00 1.00 C ATOM 429 C GLU A 39 56.814 -5.042 5.499 1.00 1.00 C ATOM 430 O GLU A 39 57.190 -4.620 6.592 1.00 1.00 O ATOM 431 CB GLU A 39 56.070 -2.985 4.309 1.00 1.00 C ATOM 432 CG GLU A 39 56.447 -1.981 3.212 1.00 1.00 C ATOM 433 CD GLU A 39 55.457 -0.824 3.214 1.00 1.00 C ATOM 434 OE1 GLU A 39 54.573 -0.827 4.054 1.00 1.00 O ATOM 435 OE2 GLU A 39 55.593 0.049 2.370 1.00 1.00 O ATOM 0 H GLU A 39 55.858 -4.705 2.548 1.00 1.00 H new ATOM 0 HA GLU A 39 58.031 -3.887 4.177 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.032 -3.294 4.189 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.151 -2.513 5.288 1.00 1.00 H new ATOM 0 HG2 GLU A 39 57.458 -1.608 3.378 1.00 1.00 H new ATOM 0 HG3 GLU A 39 56.445 -2.473 2.239 1.00 1.00 H new ATOM 442 N VAL A 40 56.206 -6.214 5.354 1.00 1.00 N ATOM 443 CA VAL A 40 55.959 -7.064 6.514 1.00 1.00 C ATOM 444 C VAL A 40 57.215 -7.823 6.961 1.00 1.00 C ATOM 445 O VAL A 40 57.584 -7.775 8.134 1.00 1.00 O ATOM 446 CB VAL A 40 54.821 -8.053 6.228 1.00 1.00 C ATOM 447 CG1 VAL A 40 54.713 -9.055 7.386 1.00 1.00 C ATOM 448 CG2 VAL A 40 53.491 -7.293 6.096 1.00 1.00 C ATOM 0 H VAL A 40 55.881 -6.592 4.464 1.00 1.00 H new ATOM 0 HA VAL A 40 55.667 -6.405 7.331 1.00 1.00 H new ATOM 0 HB VAL A 40 55.032 -8.582 5.298 1.00 1.00 H new ATOM 0 HG11 VAL A 40 53.905 -9.758 7.184 1.00 1.00 H new ATOM 0 HG12 VAL A 40 55.652 -9.600 7.485 1.00 1.00 H new ATOM 0 HG13 VAL A 40 54.505 -8.519 8.312 1.00 1.00 H new ATOM 0 HG21 VAL A 40 52.687 -8.000 5.893 1.00 1.00 H new ATOM 0 HG22 VAL A 40 53.282 -6.762 7.025 1.00 1.00 H new ATOM 0 HG23 VAL A 40 53.561 -6.577 5.277 1.00 1.00 H new ATOM 458 N ALA A 41 57.871 -8.524 6.038 1.00 1.00 N ATOM 459 CA ALA A 41 59.075 -9.277 6.400 1.00 1.00 C ATOM 460 C ALA A 41 60.255 -8.321 6.543 1.00 1.00 C ATOM 461 O ALA A 41 61.322 -8.686 7.034 1.00 1.00 O ATOM 462 CB ALA A 41 59.385 -10.349 5.339 1.00 1.00 C ATOM 0 H ALA A 41 57.600 -8.588 5.057 1.00 1.00 H new ATOM 0 HA ALA A 41 58.902 -9.779 7.352 1.00 1.00 H new ATOM 0 HB1 ALA A 41 60.282 -10.897 5.627 1.00 1.00 H new ATOM 0 HB2 ALA A 41 58.546 -11.041 5.265 1.00 1.00 H new ATOM 0 HB3 ALA A 41 59.546 -9.869 4.374 1.00 1.00 H new ATOM 468 N ILE A 42 60.036 -7.091 6.095 1.00 1.00 N ATOM 469 CA ILE A 42 61.052 -6.041 6.142 1.00 1.00 C ATOM 470 C ILE A 42 60.874 -5.162 7.377 1.00 1.00 C ATOM 471 O ILE A 42 61.840 -4.618 7.908 1.00 1.00 O ATOM 472 CB ILE A 42 60.917 -5.202 4.878 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.280 -6.087 3.683 1.00 1.00 C ATOM 474 CG2 ILE A 42 61.836 -3.967 4.931 1.00 1.00 C ATOM 475 CD1 ILE A 42 61.029 -5.360 2.341 1.00 1.00 C ATOM 0 H ILE A 42 59.150 -6.791 5.688 1.00 1.00 H new ATOM 0 HA ILE A 42 62.043 -6.491 6.200 1.00 1.00 H new ATOM 0 HB ILE A 42 59.893 -4.839 4.785 1.00 1.00 H new ATOM 0 HG12 ILE A 42 62.328 -6.378 3.750 1.00 1.00 H new ATOM 0 HG13 ILE A 42 60.692 -7.004 3.716 1.00 1.00 H new ATOM 0 HG21 ILE A 42 61.719 -3.387 4.016 1.00 1.00 H new ATOM 0 HG22 ILE A 42 61.568 -3.350 5.789 1.00 1.00 H new ATOM 0 HG23 ILE A 42 62.873 -4.289 5.026 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.298 -6.018 1.515 1.00 1.00 H new ATOM 0 HD12 ILE A 42 59.975 -5.092 2.264 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.637 -4.456 2.297 1.00 1.00 H new ATOM 487 N SER A 43 59.618 -5.016 7.780 1.00 1.00 N ATOM 488 CA SER A 43 59.226 -4.190 8.929 1.00 1.00 C ATOM 489 C SER A 43 60.363 -3.961 9.937 1.00 1.00 C ATOM 490 O SER A 43 60.442 -2.898 10.553 1.00 1.00 O ATOM 491 CB SER A 43 58.052 -4.858 9.645 1.00 1.00 C ATOM 492 OG SER A 43 58.502 -6.060 10.257 1.00 1.00 O ATOM 0 H SER A 43 58.830 -5.470 7.318 1.00 1.00 H new ATOM 0 HA SER A 43 58.951 -3.211 8.536 1.00 1.00 H new ATOM 0 HB2 SER A 43 57.638 -4.186 10.397 1.00 1.00 H new ATOM 0 HB3 SER A 43 57.253 -5.074 8.936 1.00 1.00 H new ATOM 0 HG SER A 43 58.284 -6.822 9.681 1.00 1.00 H new ATOM 498 N GLU A 44 61.230 -4.955 10.113 1.00 1.00 N ATOM 499 CA GLU A 44 62.344 -4.836 11.063 1.00 1.00 C ATOM 500 C GLU A 44 63.211 -3.605 10.767 1.00 1.00 C ATOM 501 O GLU A 44 63.536 -2.840 11.675 1.00 1.00 O ATOM 502 CB GLU A 44 63.219 -6.103 11.016 1.00 1.00 C ATOM 503 CG GLU A 44 62.484 -7.301 11.650 1.00 1.00 C ATOM 504 CD GLU A 44 61.506 -7.918 10.654 1.00 1.00 C ATOM 505 OE1 GLU A 44 61.361 -7.368 9.576 1.00 1.00 O ATOM 506 OE2 GLU A 44 60.919 -8.935 10.983 1.00 1.00 O ATOM 0 H GLU A 44 61.188 -5.846 9.618 1.00 1.00 H new ATOM 0 HA GLU A 44 61.915 -4.720 12.058 1.00 1.00 H new ATOM 0 HB2 GLU A 44 63.476 -6.334 9.982 1.00 1.00 H new ATOM 0 HB3 GLU A 44 64.155 -5.924 11.545 1.00 1.00 H new ATOM 0 HG2 GLU A 44 63.208 -8.051 11.970 1.00 1.00 H new ATOM 0 HG3 GLU A 44 61.947 -6.975 12.541 1.00 1.00 H new ATOM 513 N GLU A 45 63.585 -3.414 9.501 1.00 1.00 N ATOM 514 CA GLU A 45 64.415 -2.266 9.117 1.00 1.00 C ATOM 515 C GLU A 45 64.445 -2.111 7.596 1.00 1.00 C ATOM 516 O GLU A 45 65.219 -2.778 6.910 1.00 1.00 O ATOM 517 CB GLU A 45 65.840 -2.443 9.651 1.00 1.00 C ATOM 518 CG GLU A 45 66.264 -3.908 9.518 1.00 1.00 C ATOM 519 CD GLU A 45 67.716 -4.065 9.958 1.00 1.00 C ATOM 520 OE1 GLU A 45 68.069 -3.497 10.978 1.00 1.00 O ATOM 521 OE2 GLU A 45 68.454 -4.750 9.268 1.00 1.00 O ATOM 0 H GLU A 45 63.331 -4.031 8.730 1.00 1.00 H new ATOM 0 HA GLU A 45 63.981 -1.366 9.552 1.00 1.00 H new ATOM 0 HB2 GLU A 45 66.528 -1.804 9.097 1.00 1.00 H new ATOM 0 HB3 GLU A 45 65.888 -2.134 10.695 1.00 1.00 H new ATOM 0 HG2 GLU A 45 65.619 -4.540 10.128 1.00 1.00 H new ATOM 0 HG3 GLU A 45 66.149 -4.238 8.485 1.00 1.00 H new ATOM 528 N LEU A 46 63.579 -1.249 7.070 1.00 1.00 N ATOM 529 CA LEU A 46 63.504 -1.042 5.627 1.00 1.00 C ATOM 530 C LEU A 46 64.747 -0.383 5.040 1.00 1.00 C ATOM 531 O LEU A 46 65.209 -0.790 3.977 1.00 1.00 O ATOM 532 CB LEU A 46 62.267 -0.208 5.267 1.00 1.00 C ATOM 533 CG LEU A 46 62.200 0.010 3.725 1.00 1.00 C ATOM 534 CD1 LEU A 46 60.756 -0.127 3.231 1.00 1.00 C ATOM 535 CD2 LEU A 46 62.712 1.413 3.361 1.00 1.00 C ATOM 0 H LEU A 46 62.925 -0.687 7.615 1.00 1.00 H new ATOM 0 HA LEU A 46 63.432 -2.037 5.187 1.00 1.00 H new ATOM 0 HB2 LEU A 46 61.365 -0.714 5.610 1.00 1.00 H new ATOM 0 HB3 LEU A 46 62.306 0.754 5.777 1.00 1.00 H new ATOM 0 HG LEU A 46 62.826 -0.745 3.250 1.00 1.00 H new ATOM 0 HD11 LEU A 46 60.724 0.028 2.153 1.00 1.00 H new ATOM 0 HD12 LEU A 46 60.384 -1.124 3.466 1.00 1.00 H new ATOM 0 HD13 LEU A 46 60.131 0.618 3.723 1.00 1.00 H new ATOM 0 HD21 LEU A 46 62.659 1.551 2.281 1.00 1.00 H new ATOM 0 HD22 LEU A 46 62.095 2.165 3.853 1.00 1.00 H new ATOM 0 HD23 LEU A 46 63.746 1.520 3.690 1.00 1.00 H new ATOM 547 N VAL A 47 65.267 0.652 5.697 1.00 1.00 N ATOM 548 CA VAL A 47 66.428 1.355 5.158 1.00 1.00 C ATOM 549 C VAL A 47 67.605 0.421 4.967 1.00 1.00 C ATOM 550 O VAL A 47 68.329 0.525 3.977 1.00 1.00 O ATOM 551 CB VAL A 47 66.844 2.516 6.071 1.00 1.00 C ATOM 552 CG1 VAL A 47 67.175 2.003 7.475 1.00 1.00 C ATOM 553 CG2 VAL A 47 68.081 3.212 5.478 1.00 1.00 C ATOM 0 H VAL A 47 64.913 1.015 6.582 1.00 1.00 H new ATOM 0 HA VAL A 47 66.134 1.751 4.186 1.00 1.00 H new ATOM 0 HB VAL A 47 66.017 3.222 6.141 1.00 1.00 H new ATOM 0 HG11 VAL A 47 67.468 2.840 8.109 1.00 1.00 H new ATOM 0 HG12 VAL A 47 66.298 1.516 7.900 1.00 1.00 H new ATOM 0 HG13 VAL A 47 67.995 1.288 7.417 1.00 1.00 H new ATOM 0 HG21 VAL A 47 68.379 4.037 6.125 1.00 1.00 H new ATOM 0 HG22 VAL A 47 68.900 2.496 5.402 1.00 1.00 H new ATOM 0 HG23 VAL A 47 67.842 3.596 4.486 1.00 1.00 H new ATOM 563 N GLN A 48 67.816 -0.479 5.913 1.00 1.00 N ATOM 564 CA GLN A 48 68.939 -1.391 5.804 1.00 1.00 C ATOM 565 C GLN A 48 68.723 -2.408 4.675 1.00 1.00 C ATOM 566 O GLN A 48 69.636 -2.690 3.899 1.00 1.00 O ATOM 567 CB GLN A 48 69.161 -2.136 7.130 1.00 1.00 C ATOM 568 CG GLN A 48 69.434 -1.145 8.269 1.00 1.00 C ATOM 569 CD GLN A 48 70.651 -0.282 7.946 1.00 1.00 C ATOM 570 OE1 GLN A 48 70.511 0.811 7.399 1.00 1.00 O ATOM 571 NE2 GLN A 48 71.843 -0.716 8.251 1.00 1.00 N ATOM 0 H GLN A 48 67.239 -0.596 6.746 1.00 1.00 H new ATOM 0 HA GLN A 48 69.822 -0.796 5.572 1.00 1.00 H new ATOM 0 HB2 GLN A 48 68.283 -2.737 7.367 1.00 1.00 H new ATOM 0 HB3 GLN A 48 70.001 -2.824 7.030 1.00 1.00 H new ATOM 0 HG2 GLN A 48 68.561 -0.510 8.424 1.00 1.00 H new ATOM 0 HG3 GLN A 48 69.602 -1.688 9.199 1.00 1.00 H new ATOM 0 HE21 GLN A 48 71.955 -1.623 8.704 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.663 -0.149 8.036 1.00 1.00 H new ATOM 580 N LYS A 49 67.519 -2.971 4.598 1.00 1.00 N ATOM 581 CA LYS A 49 67.203 -3.959 3.574 1.00 1.00 C ATOM 582 C LYS A 49 67.221 -3.338 2.178 1.00 1.00 C ATOM 583 O LYS A 49 67.577 -3.994 1.199 1.00 1.00 O ATOM 584 CB LYS A 49 65.821 -4.609 3.897 1.00 1.00 C ATOM 585 CG LYS A 49 65.054 -5.049 2.611 1.00 1.00 C ATOM 586 CD LYS A 49 64.227 -3.860 2.032 1.00 1.00 C ATOM 587 CE LYS A 49 64.137 -3.921 0.487 1.00 1.00 C ATOM 588 NZ LYS A 49 65.479 -4.219 -0.094 1.00 1.00 N ATOM 0 H LYS A 49 66.749 -2.759 5.232 1.00 1.00 H new ATOM 0 HA LYS A 49 67.967 -4.736 3.579 1.00 1.00 H new ATOM 0 HB2 LYS A 49 65.972 -5.476 4.541 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.211 -3.899 4.456 1.00 1.00 H new ATOM 0 HG2 LYS A 49 65.762 -5.405 1.863 1.00 1.00 H new ATOM 0 HG3 LYS A 49 64.390 -5.882 2.844 1.00 1.00 H new ATOM 0 HD2 LYS A 49 63.223 -3.875 2.456 1.00 1.00 H new ATOM 0 HD3 LYS A 49 64.685 -2.918 2.333 1.00 1.00 H new ATOM 0 HE2 LYS A 49 63.424 -4.688 0.187 1.00 1.00 H new ATOM 0 HE3 LYS A 49 63.767 -2.972 0.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 65.677 -3.554 -0.869 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 66.206 -4.119 0.643 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 65.490 -5.192 -0.461 1.00 1.00 H new ATOM 602 N TYR A 50 66.805 -2.091 2.108 1.00 1.00 N ATOM 603 CA TYR A 50 66.727 -1.371 0.848 1.00 1.00 C ATOM 604 C TYR A 50 68.084 -1.364 0.141 1.00 1.00 C ATOM 605 O TYR A 50 68.172 -1.634 -1.055 1.00 1.00 O ATOM 606 CB TYR A 50 66.271 0.049 1.180 1.00 1.00 C ATOM 607 CG TYR A 50 65.980 0.847 -0.075 1.00 1.00 C ATOM 608 CD1 TYR A 50 64.840 0.556 -0.839 1.00 1.00 C ATOM 609 CD2 TYR A 50 66.826 1.895 -0.460 1.00 1.00 C ATOM 610 CE1 TYR A 50 64.550 1.310 -1.985 1.00 1.00 C ATOM 611 CE2 TYR A 50 66.539 2.646 -1.607 1.00 1.00 C ATOM 612 CZ TYR A 50 65.401 2.353 -2.370 1.00 1.00 C ATOM 613 OH TYR A 50 65.119 3.098 -3.497 1.00 1.00 O ATOM 0 H TYR A 50 66.511 -1.546 2.919 1.00 1.00 H new ATOM 0 HA TYR A 50 66.024 -1.851 0.167 1.00 1.00 H new ATOM 0 HB2 TYR A 50 65.377 0.009 1.802 1.00 1.00 H new ATOM 0 HB3 TYR A 50 67.042 0.553 1.762 1.00 1.00 H new ATOM 0 HD1 TYR A 50 64.185 -0.250 -0.544 1.00 1.00 H new ATOM 0 HD2 TYR A 50 67.702 2.125 0.129 1.00 1.00 H new ATOM 0 HE1 TYR A 50 63.671 1.086 -2.571 1.00 1.00 H new ATOM 0 HE2 TYR A 50 67.195 3.451 -1.903 1.00 1.00 H new ATOM 0 HH TYR A 50 65.811 3.781 -3.619 1.00 1.00 H new ATOM 623 N SER A 51 69.137 -1.061 0.888 1.00 1.00 N ATOM 624 CA SER A 51 70.484 -1.030 0.320 1.00 1.00 C ATOM 625 C SER A 51 71.000 -2.442 0.011 1.00 1.00 C ATOM 626 O SER A 51 71.633 -2.670 -1.020 1.00 1.00 O ATOM 627 CB SER A 51 71.443 -0.346 1.307 1.00 1.00 C ATOM 628 OG SER A 51 71.447 -1.068 2.533 1.00 1.00 O ATOM 0 H SER A 51 69.089 -0.834 1.881 1.00 1.00 H new ATOM 0 HA SER A 51 70.440 -0.471 -0.615 1.00 1.00 H new ATOM 0 HB2 SER A 51 72.449 -0.310 0.889 1.00 1.00 H new ATOM 0 HB3 SER A 51 71.132 0.685 1.479 1.00 1.00 H new ATOM 0 HG SER A 51 70.598 -1.548 2.633 1.00 1.00 H new ATOM 634 N ASN A 52 70.765 -3.378 0.934 1.00 1.00 N ATOM 635 CA ASN A 52 71.253 -4.754 0.770 1.00 1.00 C ATOM 636 C ASN A 52 70.338 -5.646 -0.071 1.00 1.00 C ATOM 637 O ASN A 52 70.723 -6.092 -1.151 1.00 1.00 O ATOM 638 CB ASN A 52 71.434 -5.380 2.153 1.00 1.00 C ATOM 639 CG ASN A 52 72.386 -4.522 2.979 1.00 1.00 C ATOM 640 OD1 ASN A 52 73.313 -3.831 2.374 1.00 1.00 O flip ATOM 641 ND2 ASN A 52 72.283 -4.477 4.205 1.00 1.00 N flip ATOM 0 H ASN A 52 70.245 -3.213 1.796 1.00 1.00 H new ATOM 0 HA ASN A 52 72.196 -4.689 0.228 1.00 1.00 H new ATOM 0 HB2 ASN A 52 70.471 -5.461 2.656 1.00 1.00 H new ATOM 0 HB3 ASN A 52 71.829 -6.391 2.057 1.00 1.00 H new ATOM 0 HD21 ASN A 52 71.558 -5.018 4.676 1.00 1.00 H new ATOM 0 HD22 ASN A 52 72.923 -3.899 4.750 1.00 1.00 H new ATOM 648 N SER A 53 69.145 -5.932 0.436 1.00 1.00 N ATOM 649 CA SER A 53 68.211 -6.811 -0.282 1.00 1.00 C ATOM 650 C SER A 53 67.506 -6.057 -1.417 1.00 1.00 C ATOM 651 O SER A 53 66.288 -6.130 -1.579 1.00 1.00 O ATOM 652 CB SER A 53 67.182 -7.416 0.706 1.00 1.00 C ATOM 653 OG SER A 53 67.488 -6.964 2.019 1.00 1.00 O ATOM 0 H SER A 53 68.799 -5.578 1.328 1.00 1.00 H new ATOM 0 HA SER A 53 68.779 -7.625 -0.732 1.00 1.00 H new ATOM 0 HB2 SER A 53 66.171 -7.116 0.429 1.00 1.00 H new ATOM 0 HB3 SER A 53 67.214 -8.505 0.665 1.00 1.00 H new ATOM 0 HG SER A 53 66.842 -7.339 2.653 1.00 1.00 H new ATOM 659 N ALA A 54 68.285 -5.350 -2.213 1.00 1.00 N ATOM 660 CA ALA A 54 67.733 -4.612 -3.334 1.00 1.00 C ATOM 661 C ALA A 54 67.102 -5.580 -4.332 1.00 1.00 C ATOM 662 O ALA A 54 66.198 -5.213 -5.085 1.00 1.00 O ATOM 663 CB ALA A 54 68.838 -3.805 -4.019 1.00 1.00 C ATOM 0 H ALA A 54 69.296 -5.271 -2.106 1.00 1.00 H new ATOM 0 HA ALA A 54 66.967 -3.928 -2.968 1.00 1.00 H new ATOM 0 HB1 ALA A 54 68.418 -3.253 -4.860 1.00 1.00 H new ATOM 0 HB2 ALA A 54 69.272 -3.104 -3.306 1.00 1.00 H new ATOM 0 HB3 ALA A 54 69.612 -4.482 -4.380 1.00 1.00 H new ATOM 669 N LEU A 55 67.606 -6.816 -4.340 1.00 1.00 N ATOM 670 CA LEU A 55 67.113 -7.845 -5.260 1.00 1.00 C ATOM 671 C LEU A 55 65.926 -8.610 -4.668 1.00 1.00 C ATOM 672 O LEU A 55 64.850 -8.639 -5.261 1.00 1.00 O ATOM 673 CB LEU A 55 68.258 -8.828 -5.577 1.00 1.00 C ATOM 674 CG LEU A 55 69.277 -8.175 -6.537 1.00 1.00 C ATOM 675 CD1 LEU A 55 70.217 -7.242 -5.757 1.00 1.00 C ATOM 676 CD2 LEU A 55 70.121 -9.255 -7.226 1.00 1.00 C ATOM 0 H LEU A 55 68.354 -7.129 -3.721 1.00 1.00 H new ATOM 0 HA LEU A 55 66.771 -7.355 -6.171 1.00 1.00 H new ATOM 0 HB2 LEU A 55 68.757 -9.125 -4.654 1.00 1.00 H new ATOM 0 HB3 LEU A 55 67.854 -9.735 -6.027 1.00 1.00 H new ATOM 0 HG LEU A 55 68.725 -7.604 -7.284 1.00 1.00 H new ATOM 0 HD11 LEU A 55 70.931 -6.787 -6.444 1.00 1.00 H new ATOM 0 HD12 LEU A 55 69.633 -6.460 -5.271 1.00 1.00 H new ATOM 0 HD13 LEU A 55 70.755 -7.816 -5.002 1.00 1.00 H new ATOM 0 HD21 LEU A 55 70.836 -8.783 -7.900 1.00 1.00 H new ATOM 0 HD22 LEU A 55 70.658 -9.832 -6.473 1.00 1.00 H new ATOM 0 HD23 LEU A 55 69.469 -9.918 -7.795 1.00 1.00 H new ATOM 688 N GLY A 56 66.128 -9.221 -3.502 1.00 1.00 N ATOM 689 CA GLY A 56 65.069 -9.989 -2.838 1.00 1.00 C ATOM 690 C GLY A 56 63.687 -9.368 -3.045 1.00 1.00 C ATOM 691 O GLY A 56 62.676 -10.069 -3.027 1.00 1.00 O ATOM 0 H GLY A 56 67.013 -9.201 -2.996 1.00 1.00 H new ATOM 0 HA2 GLY A 56 65.068 -11.009 -3.222 1.00 1.00 H new ATOM 0 HA3 GLY A 56 65.282 -10.050 -1.771 1.00 1.00 H new ATOM 695 N HIS A 57 63.646 -8.060 -3.235 1.00 1.00 N ATOM 696 CA HIS A 57 62.375 -7.366 -3.432 1.00 1.00 C ATOM 697 C HIS A 57 61.601 -7.957 -4.625 1.00 1.00 C ATOM 698 O HIS A 57 60.384 -8.088 -4.568 1.00 1.00 O ATOM 699 CB HIS A 57 62.645 -5.853 -3.698 1.00 1.00 C ATOM 700 CG HIS A 57 62.148 -4.989 -2.557 1.00 1.00 C ATOM 701 ND1 HIS A 57 61.051 -5.345 -1.787 1.00 1.00 N ATOM 702 CD2 HIS A 57 62.577 -3.777 -2.057 1.00 1.00 C ATOM 703 CE1 HIS A 57 60.856 -4.371 -0.880 1.00 1.00 C ATOM 704 NE2 HIS A 57 61.756 -3.394 -1.000 1.00 1.00 N ATOM 0 H HIS A 57 64.469 -7.457 -3.258 1.00 1.00 H new ATOM 0 HA HIS A 57 61.774 -7.490 -2.531 1.00 1.00 H new ATOM 0 HB2 HIS A 57 63.714 -5.693 -3.838 1.00 1.00 H new ATOM 0 HB3 HIS A 57 62.154 -5.552 -4.624 1.00 1.00 H new ATOM 0 HD2 HIS A 57 63.420 -3.212 -2.428 1.00 1.00 H new ATOM 0 HE1 HIS A 57 60.066 -4.379 -0.144 1.00 1.00 H new ATOM 0 HE2 HIS A 57 61.828 -2.546 -0.437 1.00 1.00 H new ATOM 712 N VAL A 58 62.307 -8.257 -5.713 1.00 1.00 N ATOM 713 CA VAL A 58 61.654 -8.760 -6.923 1.00 1.00 C ATOM 714 C VAL A 58 60.760 -9.981 -6.675 1.00 1.00 C ATOM 715 O VAL A 58 59.549 -9.895 -6.876 1.00 1.00 O ATOM 716 CB VAL A 58 62.713 -9.078 -7.990 1.00 1.00 C ATOM 717 CG1 VAL A 58 63.580 -10.272 -7.561 1.00 1.00 C ATOM 718 CG2 VAL A 58 62.010 -9.389 -9.319 1.00 1.00 C ATOM 0 H VAL A 58 63.320 -8.163 -5.784 1.00 1.00 H new ATOM 0 HA VAL A 58 60.992 -7.969 -7.275 1.00 1.00 H new ATOM 0 HB VAL A 58 63.365 -8.213 -8.111 1.00 1.00 H new ATOM 0 HG11 VAL A 58 64.322 -10.478 -8.332 1.00 1.00 H new ATOM 0 HG12 VAL A 58 64.085 -10.037 -6.624 1.00 1.00 H new ATOM 0 HG13 VAL A 58 62.948 -11.149 -7.422 1.00 1.00 H new ATOM 0 HG21 VAL A 58 62.756 -9.616 -10.081 1.00 1.00 H new ATOM 0 HG22 VAL A 58 61.351 -10.247 -9.190 1.00 1.00 H new ATOM 0 HG23 VAL A 58 61.423 -8.525 -9.631 1.00 1.00 H new ATOM 728 N ASN A 59 61.323 -11.116 -6.264 1.00 1.00 N ATOM 729 CA ASN A 59 60.491 -12.299 -6.039 1.00 1.00 C ATOM 730 C ASN A 59 59.653 -12.174 -4.785 1.00 1.00 C ATOM 731 O ASN A 59 58.495 -12.593 -4.761 1.00 1.00 O ATOM 732 CB ASN A 59 61.318 -13.571 -5.961 1.00 1.00 C ATOM 733 CG ASN A 59 62.386 -13.439 -4.880 1.00 1.00 C ATOM 734 OD1 ASN A 59 62.069 -13.234 -3.708 1.00 1.00 O ATOM 735 ND2 ASN A 59 63.645 -13.543 -5.208 1.00 1.00 N ATOM 0 H ASN A 59 62.319 -11.242 -6.084 1.00 1.00 H new ATOM 0 HA ASN A 59 59.827 -12.363 -6.901 1.00 1.00 H new ATOM 0 HB2 ASN A 59 60.672 -14.421 -5.742 1.00 1.00 H new ATOM 0 HB3 ASN A 59 61.788 -13.768 -6.925 1.00 1.00 H new ATOM 0 HD21 ASN A 59 64.367 -13.454 -4.493 1.00 1.00 H new ATOM 0 HD22 ASN A 59 63.907 -13.713 -6.179 1.00 1.00 H new ATOM 742 N SER A 60 60.237 -11.609 -3.737 1.00 1.00 N ATOM 743 CA SER A 60 59.511 -11.459 -2.488 1.00 1.00 C ATOM 744 C SER A 60 58.172 -10.818 -2.774 1.00 1.00 C ATOM 745 O SER A 60 57.227 -10.966 -2.019 1.00 1.00 O ATOM 746 CB SER A 60 60.299 -10.590 -1.510 1.00 1.00 C ATOM 747 OG SER A 60 60.384 -9.271 -2.025 1.00 1.00 O ATOM 0 H SER A 60 61.193 -11.254 -3.727 1.00 1.00 H new ATOM 0 HA SER A 60 59.367 -12.441 -2.037 1.00 1.00 H new ATOM 0 HB2 SER A 60 59.810 -10.582 -0.536 1.00 1.00 H new ATOM 0 HB3 SER A 60 61.298 -11.001 -1.362 1.00 1.00 H new ATOM 0 HG SER A 60 60.219 -9.286 -2.991 1.00 1.00 H new ATOM 753 N THR A 61 58.098 -10.104 -3.888 1.00 1.00 N ATOM 754 CA THR A 61 56.857 -9.457 -4.276 1.00 1.00 C ATOM 755 C THR A 61 55.900 -10.443 -4.947 1.00 1.00 C ATOM 756 O THR A 61 54.728 -10.525 -4.596 1.00 1.00 O ATOM 757 CB THR A 61 57.153 -8.293 -5.232 1.00 1.00 C ATOM 758 OG1 THR A 61 58.165 -7.471 -4.678 1.00 1.00 O ATOM 759 CG2 THR A 61 55.895 -7.455 -5.456 1.00 1.00 C ATOM 0 H THR A 61 58.875 -9.960 -4.532 1.00 1.00 H new ATOM 0 HA THR A 61 56.378 -9.079 -3.373 1.00 1.00 H new ATOM 0 HB THR A 61 57.485 -8.701 -6.187 1.00 1.00 H new ATOM 0 HG1 THR A 61 59.022 -7.945 -4.705 1.00 1.00 H new ATOM 0 HG21 THR A 61 56.121 -6.634 -6.136 1.00 1.00 H new ATOM 0 HG22 THR A 61 55.114 -8.080 -5.889 1.00 1.00 H new ATOM 0 HG23 THR A 61 55.551 -7.053 -4.503 1.00 1.00 H new ATOM 767 N ILE A 62 56.388 -11.164 -5.946 1.00 1.00 N ATOM 768 CA ILE A 62 55.522 -12.081 -6.673 1.00 1.00 C ATOM 769 C ILE A 62 55.033 -13.210 -5.774 1.00 1.00 C ATOM 770 O ILE A 62 53.850 -13.565 -5.790 1.00 1.00 O ATOM 771 CB ILE A 62 56.265 -12.676 -7.875 1.00 1.00 C ATOM 772 CG1 ILE A 62 57.041 -11.561 -8.595 1.00 1.00 C ATOM 773 CG2 ILE A 62 55.249 -13.287 -8.848 1.00 1.00 C ATOM 774 CD1 ILE A 62 56.137 -10.378 -8.895 1.00 1.00 C ATOM 0 H ILE A 62 57.356 -11.135 -6.266 1.00 1.00 H new ATOM 0 HA ILE A 62 54.659 -11.513 -7.020 1.00 1.00 H new ATOM 0 HB ILE A 62 56.956 -13.446 -7.532 1.00 1.00 H new ATOM 0 HG12 ILE A 62 57.878 -11.237 -7.976 1.00 1.00 H new ATOM 0 HG13 ILE A 62 57.462 -11.947 -9.523 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.774 -13.711 -9.704 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.687 -14.072 -8.342 1.00 1.00 H new ATOM 0 HG23 ILE A 62 54.562 -12.513 -9.191 1.00 1.00 H new ATOM 0 HD11 ILE A 62 56.709 -9.603 -9.404 1.00 1.00 H new ATOM 0 HD12 ILE A 62 55.315 -10.701 -9.534 1.00 1.00 H new ATOM 0 HD13 ILE A 62 55.737 -9.980 -7.962 1.00 1.00 H new ATOM 786 N LYS A 63 55.947 -13.793 -5.010 1.00 1.00 N ATOM 787 CA LYS A 63 55.595 -14.908 -4.140 1.00 1.00 C ATOM 788 C LYS A 63 54.677 -14.506 -2.976 1.00 1.00 C ATOM 789 O LYS A 63 53.681 -15.175 -2.699 1.00 1.00 O ATOM 790 CB LYS A 63 56.894 -15.525 -3.564 1.00 1.00 C ATOM 791 CG LYS A 63 57.613 -16.359 -4.647 1.00 1.00 C ATOM 792 CD LYS A 63 57.035 -17.781 -4.683 1.00 1.00 C ATOM 793 CE LYS A 63 57.761 -18.610 -5.746 1.00 1.00 C ATOM 794 NZ LYS A 63 57.245 -20.007 -5.710 1.00 1.00 N ATOM 0 H LYS A 63 56.928 -13.516 -4.974 1.00 1.00 H new ATOM 0 HA LYS A 63 55.044 -15.626 -4.748 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.553 -14.734 -3.206 1.00 1.00 H new ATOM 0 HB3 LYS A 63 56.657 -16.155 -2.707 1.00 1.00 H new ATOM 0 HG2 LYS A 63 57.495 -15.885 -5.621 1.00 1.00 H new ATOM 0 HG3 LYS A 63 58.682 -16.397 -4.438 1.00 1.00 H new ATOM 0 HD2 LYS A 63 57.142 -18.252 -3.706 1.00 1.00 H new ATOM 0 HD3 LYS A 63 55.968 -17.744 -4.904 1.00 1.00 H new ATOM 0 HE2 LYS A 63 57.604 -18.176 -6.734 1.00 1.00 H new ATOM 0 HE3 LYS A 63 58.835 -18.601 -5.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 57.734 -20.576 -6.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 57.417 -20.416 -4.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 56.224 -20.005 -5.905 1.00 1.00 H new ATOM 808 N GLU A 64 55.056 -13.450 -2.268 1.00 1.00 N ATOM 809 CA GLU A 64 54.313 -13.001 -1.083 1.00 1.00 C ATOM 810 C GLU A 64 52.969 -12.339 -1.373 1.00 1.00 C ATOM 811 O GLU A 64 52.034 -12.511 -0.600 1.00 1.00 O ATOM 812 CB GLU A 64 55.178 -12.026 -0.292 1.00 1.00 C ATOM 813 CG GLU A 64 56.551 -12.649 -0.032 1.00 1.00 C ATOM 814 CD GLU A 64 56.414 -13.845 0.902 1.00 1.00 C ATOM 815 OE1 GLU A 64 55.401 -13.929 1.578 1.00 1.00 O ATOM 816 OE2 GLU A 64 57.320 -14.663 0.926 1.00 1.00 O ATOM 0 H GLU A 64 55.875 -12.883 -2.489 1.00 1.00 H new ATOM 0 HA GLU A 64 54.086 -13.906 -0.520 1.00 1.00 H new ATOM 0 HB2 GLU A 64 55.290 -11.093 -0.845 1.00 1.00 H new ATOM 0 HB3 GLU A 64 54.694 -11.780 0.653 1.00 1.00 H new ATOM 0 HG2 GLU A 64 57.001 -12.963 -0.974 1.00 1.00 H new ATOM 0 HG3 GLU A 64 57.218 -11.908 0.409 1.00 1.00 H new ATOM 823 N LEU A 65 52.873 -11.538 -2.424 1.00 1.00 N ATOM 824 CA LEU A 65 51.616 -10.826 -2.703 1.00 1.00 C ATOM 825 C LEU A 65 50.384 -11.680 -2.390 1.00 1.00 C ATOM 826 O LEU A 65 49.404 -11.171 -1.847 1.00 1.00 O ATOM 827 CB LEU A 65 51.574 -10.331 -4.170 1.00 1.00 C ATOM 828 CG LEU A 65 51.790 -8.803 -4.235 1.00 1.00 C ATOM 829 CD1 LEU A 65 52.997 -8.376 -3.357 1.00 1.00 C ATOM 830 CD2 LEU A 65 52.025 -8.405 -5.702 1.00 1.00 C ATOM 0 H LEU A 65 53.626 -11.361 -3.089 1.00 1.00 H new ATOM 0 HA LEU A 65 51.589 -9.961 -2.040 1.00 1.00 H new ATOM 0 HB2 LEU A 65 52.344 -10.838 -4.752 1.00 1.00 H new ATOM 0 HB3 LEU A 65 50.614 -10.587 -4.619 1.00 1.00 H new ATOM 0 HG LEU A 65 50.907 -8.294 -3.848 1.00 1.00 H new ATOM 0 HD11 LEU A 65 53.128 -7.296 -3.420 1.00 1.00 H new ATOM 0 HD12 LEU A 65 52.812 -8.660 -2.321 1.00 1.00 H new ATOM 0 HD13 LEU A 65 53.900 -8.873 -3.713 1.00 1.00 H new ATOM 0 HD21 LEU A 65 52.180 -7.328 -5.767 1.00 1.00 H new ATOM 0 HD22 LEU A 65 52.906 -8.921 -6.082 1.00 1.00 H new ATOM 0 HD23 LEU A 65 51.156 -8.683 -6.298 1.00 1.00 H new ATOM 842 N ARG A 66 50.437 -12.960 -2.718 1.00 1.00 N ATOM 843 CA ARG A 66 49.311 -13.842 -2.442 1.00 1.00 C ATOM 844 C ARG A 66 49.140 -14.006 -0.931 1.00 1.00 C ATOM 845 O ARG A 66 48.029 -14.133 -0.424 1.00 1.00 O ATOM 846 CB ARG A 66 49.546 -15.213 -3.096 1.00 1.00 C ATOM 847 CG ARG A 66 50.257 -15.024 -4.438 1.00 1.00 C ATOM 848 CD ARG A 66 50.286 -16.351 -5.198 1.00 1.00 C ATOM 849 NE ARG A 66 50.978 -16.182 -6.470 1.00 1.00 N ATOM 850 CZ ARG A 66 50.872 -17.086 -7.439 1.00 1.00 C ATOM 851 NH1 ARG A 66 50.140 -18.151 -7.262 1.00 1.00 N ATOM 852 NH2 ARG A 66 51.500 -16.906 -8.568 1.00 1.00 N ATOM 0 H ARG A 66 51.234 -13.409 -3.169 1.00 1.00 H new ATOM 0 HA ARG A 66 48.404 -13.403 -2.858 1.00 1.00 H new ATOM 0 HB2 ARG A 66 50.147 -15.843 -2.440 1.00 1.00 H new ATOM 0 HB3 ARG A 66 48.595 -15.724 -3.245 1.00 1.00 H new ATOM 0 HG2 ARG A 66 49.743 -14.266 -5.029 1.00 1.00 H new ATOM 0 HG3 ARG A 66 51.273 -14.665 -4.275 1.00 1.00 H new ATOM 0 HD2 ARG A 66 50.788 -17.111 -4.600 1.00 1.00 H new ATOM 0 HD3 ARG A 66 49.269 -16.702 -5.372 1.00 1.00 H new ATOM 0 HE ARG A 66 51.555 -15.354 -6.619 1.00 1.00 H new ATOM 0 HH11 ARG A 66 49.648 -18.291 -6.379 1.00 1.00 H new ATOM 0 HH12 ARG A 66 50.059 -18.844 -8.006 1.00 1.00 H new ATOM 0 HH21 ARG A 66 52.071 -16.073 -8.706 1.00 1.00 H new ATOM 0 HH22 ARG A 66 51.420 -17.599 -9.312 1.00 1.00 H new ATOM 866 N ARG A 67 50.267 -14.021 -0.237 1.00 1.00 N ATOM 867 CA ARG A 67 50.309 -14.190 1.198 1.00 1.00 C ATOM 868 C ARG A 67 49.585 -13.075 1.976 1.00 1.00 C ATOM 869 O ARG A 67 48.986 -13.337 3.016 1.00 1.00 O ATOM 870 CB ARG A 67 51.776 -14.218 1.630 1.00 1.00 C ATOM 871 CG ARG A 67 51.895 -14.815 3.040 1.00 1.00 C ATOM 872 CD ARG A 67 52.039 -16.346 2.958 1.00 1.00 C ATOM 873 NE ARG A 67 52.072 -16.926 4.297 1.00 1.00 N ATOM 874 CZ ARG A 67 50.950 -17.227 4.948 1.00 1.00 C ATOM 875 NH1 ARG A 67 49.792 -16.999 4.389 1.00 1.00 N ATOM 876 NH2 ARG A 67 51.007 -17.748 6.141 1.00 1.00 N ATOM 0 H ARG A 67 51.187 -13.914 -0.664 1.00 1.00 H new ATOM 0 HA ARG A 67 49.789 -15.120 1.430 1.00 1.00 H new ATOM 0 HB2 ARG A 67 52.360 -14.809 0.925 1.00 1.00 H new ATOM 0 HB3 ARG A 67 52.187 -13.209 1.617 1.00 1.00 H new ATOM 0 HG2 ARG A 67 52.757 -14.388 3.552 1.00 1.00 H new ATOM 0 HG3 ARG A 67 51.015 -14.556 3.628 1.00 1.00 H new ATOM 0 HD2 ARG A 67 51.207 -16.766 2.393 1.00 1.00 H new ATOM 0 HD3 ARG A 67 52.952 -16.604 2.420 1.00 1.00 H new ATOM 0 HE ARG A 67 52.972 -17.104 4.743 1.00 1.00 H new ATOM 0 HH11 ARG A 67 49.748 -16.591 3.455 1.00 1.00 H new ATOM 0 HH12 ARG A 67 48.932 -17.229 4.886 1.00 1.00 H new ATOM 0 HH21 ARG A 67 51.912 -17.926 6.577 1.00 1.00 H new ATOM 0 HH22 ARG A 67 50.147 -17.978 6.639 1.00 1.00 H new ATOM 890 N LEU A 68 49.673 -11.834 1.503 1.00 1.00 N ATOM 891 CA LEU A 68 49.050 -10.711 2.226 1.00 1.00 C ATOM 892 C LEU A 68 47.558 -10.923 2.379 1.00 1.00 C ATOM 893 O LEU A 68 46.990 -10.647 3.429 1.00 1.00 O ATOM 894 CB LEU A 68 49.296 -9.370 1.493 1.00 1.00 C ATOM 895 CG LEU A 68 48.816 -8.157 2.360 1.00 1.00 C ATOM 896 CD1 LEU A 68 49.738 -6.945 2.130 1.00 1.00 C ATOM 897 CD2 LEU A 68 47.374 -7.760 1.988 1.00 1.00 C ATOM 0 H LEU A 68 50.157 -11.576 0.643 1.00 1.00 H new ATOM 0 HA LEU A 68 49.511 -10.670 3.213 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.358 -9.264 1.269 1.00 1.00 H new ATOM 0 HB3 LEU A 68 48.768 -9.371 0.539 1.00 1.00 H new ATOM 0 HG LEU A 68 48.850 -8.457 3.407 1.00 1.00 H new ATOM 0 HD11 LEU A 68 49.396 -6.107 2.737 1.00 1.00 H new ATOM 0 HD12 LEU A 68 50.758 -7.205 2.413 1.00 1.00 H new ATOM 0 HD13 LEU A 68 49.714 -6.664 1.077 1.00 1.00 H new ATOM 0 HD21 LEU A 68 47.059 -6.916 2.601 1.00 1.00 H new ATOM 0 HD22 LEU A 68 47.334 -7.479 0.936 1.00 1.00 H new ATOM 0 HD23 LEU A 68 46.707 -8.604 2.164 1.00 1.00 H new ATOM 909 N PHE A 69 46.919 -11.384 1.326 1.00 1.00 N ATOM 910 CA PHE A 69 45.479 -11.599 1.361 1.00 1.00 C ATOM 911 C PHE A 69 45.090 -12.733 2.315 1.00 1.00 C ATOM 912 O PHE A 69 44.110 -12.621 3.052 1.00 1.00 O ATOM 913 CB PHE A 69 44.983 -11.900 -0.055 1.00 1.00 C ATOM 914 CG PHE A 69 45.694 -10.998 -1.064 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.098 -9.690 -0.712 1.00 1.00 C ATOM 916 CD2 PHE A 69 45.947 -11.468 -2.356 1.00 1.00 C ATOM 917 CE1 PHE A 69 46.747 -8.870 -1.640 1.00 1.00 C ATOM 918 CE2 PHE A 69 46.596 -10.644 -3.290 1.00 1.00 C ATOM 919 CZ PHE A 69 46.997 -9.343 -2.931 1.00 1.00 C ATOM 0 H PHE A 69 47.365 -11.617 0.439 1.00 1.00 H new ATOM 0 HA PHE A 69 45.007 -10.691 1.737 1.00 1.00 H new ATOM 0 HB2 PHE A 69 45.167 -12.946 -0.298 1.00 1.00 H new ATOM 0 HB3 PHE A 69 43.906 -11.744 -0.112 1.00 1.00 H new ATOM 0 HD1 PHE A 69 45.903 -9.320 0.284 1.00 1.00 H new ATOM 0 HD2 PHE A 69 45.643 -12.466 -2.636 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.054 -7.873 -1.360 1.00 1.00 H new ATOM 0 HE2 PHE A 69 46.788 -11.010 -4.288 1.00 1.00 H new ATOM 0 HZ PHE A 69 47.496 -8.712 -3.651 1.00 1.00 H new ATOM 929 N LEU A 70 45.849 -13.817 2.299 1.00 1.00 N ATOM 930 CA LEU A 70 45.557 -14.950 3.179 1.00 1.00 C ATOM 931 C LEU A 70 45.750 -14.583 4.654 1.00 1.00 C ATOM 932 O LEU A 70 44.967 -14.992 5.512 1.00 1.00 O ATOM 933 CB LEU A 70 46.452 -16.150 2.808 1.00 1.00 C ATOM 934 CG LEU A 70 45.831 -16.961 1.642 1.00 1.00 C ATOM 935 CD1 LEU A 70 44.596 -17.757 2.131 1.00 1.00 C ATOM 936 CD2 LEU A 70 45.410 -16.009 0.513 1.00 1.00 C ATOM 0 H LEU A 70 46.663 -13.941 1.697 1.00 1.00 H new ATOM 0 HA LEU A 70 44.511 -15.222 3.039 1.00 1.00 H new ATOM 0 HB2 LEU A 70 47.443 -15.796 2.523 1.00 1.00 H new ATOM 0 HB3 LEU A 70 46.582 -16.795 3.677 1.00 1.00 H new ATOM 0 HG LEU A 70 46.579 -17.662 1.271 1.00 1.00 H new ATOM 0 HD11 LEU A 70 44.173 -18.320 1.299 1.00 1.00 H new ATOM 0 HD12 LEU A 70 44.896 -18.446 2.920 1.00 1.00 H new ATOM 0 HD13 LEU A 70 43.848 -17.066 2.519 1.00 1.00 H new ATOM 0 HD21 LEU A 70 44.974 -16.584 -0.304 1.00 1.00 H new ATOM 0 HD22 LEU A 70 44.674 -15.300 0.891 1.00 1.00 H new ATOM 0 HD23 LEU A 70 46.283 -15.467 0.150 1.00 1.00 H new ATOM 948 N VAL A 71 46.806 -13.829 4.946 1.00 1.00 N ATOM 949 CA VAL A 71 47.111 -13.431 6.323 1.00 1.00 C ATOM 950 C VAL A 71 46.503 -12.069 6.668 1.00 1.00 C ATOM 951 O VAL A 71 45.899 -11.906 7.726 1.00 1.00 O ATOM 952 CB VAL A 71 48.638 -13.396 6.554 1.00 1.00 C ATOM 953 CG1 VAL A 71 49.320 -14.615 5.909 1.00 1.00 C ATOM 954 CG2 VAL A 71 49.254 -12.101 5.985 1.00 1.00 C ATOM 0 H VAL A 71 47.466 -13.480 4.251 1.00 1.00 H new ATOM 0 HA VAL A 71 46.665 -14.177 6.981 1.00 1.00 H new ATOM 0 HB VAL A 71 48.806 -13.424 7.631 1.00 1.00 H new ATOM 0 HG11 VAL A 71 50.394 -14.567 6.086 1.00 1.00 H new ATOM 0 HG12 VAL A 71 48.921 -15.530 6.348 1.00 1.00 H new ATOM 0 HG13 VAL A 71 49.129 -14.614 4.836 1.00 1.00 H new ATOM 0 HG21 VAL A 71 50.330 -12.102 6.161 1.00 1.00 H new ATOM 0 HG22 VAL A 71 49.062 -12.047 4.913 1.00 1.00 H new ATOM 0 HG23 VAL A 71 48.806 -11.238 6.478 1.00 1.00 H new ATOM 964 N ASP A 72 46.666 -11.097 5.772 1.00 1.00 N ATOM 965 CA ASP A 72 46.128 -9.753 5.997 1.00 1.00 C ATOM 966 C ASP A 72 46.957 -9.015 7.052 1.00 1.00 C ATOM 967 O ASP A 72 46.535 -8.869 8.198 1.00 1.00 O ATOM 968 CB ASP A 72 44.652 -9.842 6.443 1.00 1.00 C ATOM 969 CG ASP A 72 43.904 -8.560 6.078 1.00 1.00 C ATOM 970 OD1 ASP A 72 43.874 -8.230 4.903 1.00 1.00 O ATOM 971 OD2 ASP A 72 43.373 -7.931 6.978 1.00 1.00 O ATOM 0 H ASP A 72 47.163 -11.212 4.888 1.00 1.00 H new ATOM 0 HA ASP A 72 46.181 -9.194 5.063 1.00 1.00 H new ATOM 0 HB2 ASP A 72 44.173 -10.698 5.967 1.00 1.00 H new ATOM 0 HB3 ASP A 72 44.600 -10.006 7.519 1.00 1.00 H new ATOM 976 N ASP A 73 48.145 -8.552 6.652 1.00 1.00 N ATOM 977 CA ASP A 73 49.042 -7.828 7.559 1.00 1.00 C ATOM 978 C ASP A 73 49.161 -6.368 7.140 1.00 1.00 C ATOM 979 O ASP A 73 50.141 -5.696 7.463 1.00 1.00 O ATOM 980 CB ASP A 73 50.430 -8.476 7.556 1.00 1.00 C ATOM 981 CG ASP A 73 50.394 -9.806 8.306 1.00 1.00 C ATOM 982 OD1 ASP A 73 49.443 -10.026 9.037 1.00 1.00 O ATOM 983 OD2 ASP A 73 51.320 -10.582 8.138 1.00 1.00 O ATOM 0 H ASP A 73 48.508 -8.666 5.706 1.00 1.00 H new ATOM 0 HA ASP A 73 48.624 -7.875 8.564 1.00 1.00 H new ATOM 0 HB2 ASP A 73 50.761 -8.638 6.530 1.00 1.00 H new ATOM 0 HB3 ASP A 73 51.153 -7.807 8.023 1.00 1.00 H new ATOM 988 N LEU A 74 48.162 -5.885 6.416 1.00 1.00 N ATOM 989 CA LEU A 74 48.170 -4.500 5.951 1.00 1.00 C ATOM 990 C LEU A 74 48.303 -3.550 7.149 1.00 1.00 C ATOM 991 O LEU A 74 48.846 -2.454 7.016 1.00 1.00 O ATOM 992 CB LEU A 74 46.875 -4.213 5.132 1.00 1.00 C ATOM 993 CG LEU A 74 46.411 -2.742 5.285 1.00 1.00 C ATOM 994 CD1 LEU A 74 45.575 -2.325 4.065 1.00 1.00 C ATOM 995 CD2 LEU A 74 45.567 -2.580 6.583 1.00 1.00 C ATOM 0 H LEU A 74 47.341 -6.423 6.138 1.00 1.00 H new ATOM 0 HA LEU A 74 49.026 -4.335 5.296 1.00 1.00 H new ATOM 0 HB2 LEU A 74 47.055 -4.429 4.079 1.00 1.00 H new ATOM 0 HB3 LEU A 74 46.080 -4.881 5.463 1.00 1.00 H new ATOM 0 HG LEU A 74 47.290 -2.101 5.351 1.00 1.00 H new ATOM 0 HD11 LEU A 74 45.253 -1.290 4.181 1.00 1.00 H new ATOM 0 HD12 LEU A 74 46.178 -2.418 3.162 1.00 1.00 H new ATOM 0 HD13 LEU A 74 44.700 -2.970 3.986 1.00 1.00 H new ATOM 0 HD21 LEU A 74 45.246 -1.543 6.681 1.00 1.00 H new ATOM 0 HD22 LEU A 74 44.692 -3.228 6.531 1.00 1.00 H new ATOM 0 HD23 LEU A 74 46.172 -2.856 7.447 1.00 1.00 H new ATOM 1007 N VAL A 75 47.820 -3.969 8.313 1.00 1.00 N ATOM 1008 CA VAL A 75 47.911 -3.134 9.493 1.00 1.00 C ATOM 1009 C VAL A 75 49.366 -2.833 9.812 1.00 1.00 C ATOM 1010 O VAL A 75 49.679 -1.804 10.413 1.00 1.00 O ATOM 1011 CB VAL A 75 47.242 -3.841 10.676 1.00 1.00 C ATOM 1012 CG1 VAL A 75 45.716 -3.714 10.575 1.00 1.00 C ATOM 1013 CG2 VAL A 75 47.628 -5.322 10.668 1.00 1.00 C ATOM 0 H VAL A 75 47.368 -4.871 8.459 1.00 1.00 H new ATOM 0 HA VAL A 75 47.397 -2.191 9.305 1.00 1.00 H new ATOM 0 HB VAL A 75 47.578 -3.376 11.603 1.00 1.00 H new ATOM 0 HG11 VAL A 75 45.252 -4.220 11.421 1.00 1.00 H new ATOM 0 HG12 VAL A 75 45.437 -2.660 10.585 1.00 1.00 H new ATOM 0 HG13 VAL A 75 45.374 -4.171 9.647 1.00 1.00 H new ATOM 0 HG21 VAL A 75 47.153 -5.826 11.509 1.00 1.00 H new ATOM 0 HG22 VAL A 75 47.296 -5.779 9.736 1.00 1.00 H new ATOM 0 HG23 VAL A 75 48.711 -5.416 10.753 1.00 1.00 H new ATOM 1023 N ASP A 76 50.248 -3.731 9.401 1.00 1.00 N ATOM 1024 CA ASP A 76 51.669 -3.556 9.636 1.00 1.00 C ATOM 1025 C ASP A 76 52.202 -2.392 8.803 1.00 1.00 C ATOM 1026 O ASP A 76 53.384 -2.053 8.881 1.00 1.00 O ATOM 1027 CB ASP A 76 52.420 -4.839 9.282 1.00 1.00 C ATOM 1028 CG ASP A 76 53.886 -4.721 9.686 1.00 1.00 C ATOM 1029 OD1 ASP A 76 54.206 -3.802 10.424 1.00 1.00 O ATOM 1030 OD2 ASP A 76 54.665 -5.552 9.255 1.00 1.00 O ATOM 0 H ASP A 76 50.003 -4.587 8.904 1.00 1.00 H new ATOM 0 HA ASP A 76 51.825 -3.333 10.692 1.00 1.00 H new ATOM 0 HB2 ASP A 76 51.963 -5.688 9.790 1.00 1.00 H new ATOM 0 HB3 ASP A 76 52.345 -5.029 8.211 1.00 1.00 H new ATOM 1035 N SER A 77 51.324 -1.781 8.004 1.00 1.00 N ATOM 1036 CA SER A 77 51.725 -0.651 7.163 1.00 1.00 C ATOM 1037 C SER A 77 52.233 0.507 8.018 1.00 1.00 C ATOM 1038 O SER A 77 52.510 1.591 7.508 1.00 1.00 O ATOM 1039 CB SER A 77 50.543 -0.177 6.315 1.00 1.00 C ATOM 1040 OG SER A 77 49.524 0.331 7.168 1.00 1.00 O ATOM 0 H SER A 77 50.342 -2.046 7.922 1.00 1.00 H new ATOM 0 HA SER A 77 52.530 -0.986 6.509 1.00 1.00 H new ATOM 0 HB2 SER A 77 50.868 0.595 5.618 1.00 1.00 H new ATOM 0 HB3 SER A 77 50.155 -1.002 5.718 1.00 1.00 H new ATOM 0 HG SER A 77 48.924 -0.398 7.431 1.00 1.00 H new ATOM 1046 N LEU A 78 52.349 0.260 9.320 1.00 1.00 N ATOM 1047 CA LEU A 78 52.823 1.260 10.262 1.00 1.00 C ATOM 1048 C LEU A 78 51.896 2.465 10.259 1.00 1.00 C ATOM 1049 O LEU A 78 52.333 3.606 10.409 1.00 1.00 O ATOM 1050 CB LEU A 78 54.257 1.687 9.899 1.00 1.00 C ATOM 1051 CG LEU A 78 55.234 0.471 9.993 1.00 1.00 C ATOM 1052 CD1 LEU A 78 55.645 0.002 8.587 1.00 1.00 C ATOM 1053 CD2 LEU A 78 56.508 0.863 10.760 1.00 1.00 C ATOM 0 H LEU A 78 52.117 -0.637 9.747 1.00 1.00 H new ATOM 0 HA LEU A 78 52.828 0.829 11.263 1.00 1.00 H new ATOM 0 HB2 LEU A 78 54.275 2.098 8.890 1.00 1.00 H new ATOM 0 HB3 LEU A 78 54.588 2.479 10.571 1.00 1.00 H new ATOM 0 HG LEU A 78 54.715 -0.332 10.517 1.00 1.00 H new ATOM 0 HD11 LEU A 78 56.325 -0.845 8.671 1.00 1.00 H new ATOM 0 HD12 LEU A 78 54.758 -0.299 8.030 1.00 1.00 H new ATOM 0 HD13 LEU A 78 56.144 0.817 8.063 1.00 1.00 H new ATOM 0 HD21 LEU A 78 57.177 0.005 10.816 1.00 1.00 H new ATOM 0 HD22 LEU A 78 57.009 1.680 10.241 1.00 1.00 H new ATOM 0 HD23 LEU A 78 56.242 1.182 11.768 1.00 1.00 H new ATOM 1065 N LYS A 79 50.606 2.191 10.097 1.00 1.00 N ATOM 1066 CA LYS A 79 49.598 3.245 10.080 1.00 1.00 C ATOM 1067 C LYS A 79 48.194 2.647 10.040 1.00 1.00 C ATOM 1068 O LYS A 79 47.307 3.313 9.531 1.00 1.00 O ATOM 1069 CB LYS A 79 49.813 4.153 8.865 1.00 1.00 C ATOM 1070 CG LYS A 79 49.657 3.343 7.566 1.00 1.00 C ATOM 1071 CD LYS A 79 49.897 4.247 6.339 1.00 1.00 C ATOM 1072 CE LYS A 79 51.396 4.316 6.013 1.00 1.00 C ATOM 1073 NZ LYS A 79 51.800 3.090 5.267 1.00 1.00 N ATOM 1074 OXT LYS A 79 48.027 1.536 10.514 1.00 1.00 O ATOM 0 H LYS A 79 50.234 1.249 9.976 1.00 1.00 H new ATOM 0 HA LYS A 79 49.698 3.834 10.992 1.00 1.00 H new ATOM 0 HB2 LYS A 79 49.093 4.972 8.881 1.00 1.00 H new ATOM 0 HB3 LYS A 79 50.806 4.601 8.907 1.00 1.00 H new ATOM 0 HG2 LYS A 79 50.365 2.514 7.559 1.00 1.00 H new ATOM 0 HG3 LYS A 79 48.658 2.910 7.517 1.00 1.00 H new ATOM 0 HD2 LYS A 79 49.349 3.859 5.480 1.00 1.00 H new ATOM 0 HD3 LYS A 79 49.514 5.248 6.536 1.00 1.00 H new ATOM 0 HE2 LYS A 79 51.609 5.204 5.417 1.00 1.00 H new ATOM 0 HE3 LYS A 79 51.975 4.403 6.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 52.531 3.334 4.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 52.178 2.387 5.933 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 50.973 2.693 4.778 1.00 1.00 H new TER 1088 LYS A 79