USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 9 SER OG : rot 180:sc= -0.598 USER MOD Set 1.2: A 29 MET CE :methyl -179:sc= -2.39 (180deg=-1.63) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 THR OG1 : rot 104:sc= 0.135 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 1.03 USER MOD Set 3.2: A 14 THR OG1 : rot 176:sc= 0.0768! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -130:sc= -8.59! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 101:sc= -7.74! USER MOD Single : A 16 CYS SG : rot -6:sc= -2.61! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -4.08 X(o=-4.1,f=-4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -99:sc= -0.554 USER MOD Single : A 43 SER OG : rot -79:sc= -3.05! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -1.31 USER MOD Single : A 50 SER OG : rot 83:sc= -4.24! USER MOD Single : A 55 THR OG1 : rot -112:sc= -10.8! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.05! C(o=-3!,f=-3.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -0.98 (180deg=-2.77!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 2 7.753 -6.726 12.078 1.00 0.00 N ATOM 9 CA GLU A 2 7.208 -5.395 12.286 1.00 0.00 C ATOM 10 C GLU A 2 7.325 -4.567 11.005 1.00 0.00 C ATOM 11 O GLU A 2 6.378 -3.886 10.614 1.00 0.00 O ATOM 12 CB GLU A 2 7.903 -4.696 13.457 1.00 0.00 C ATOM 13 CG GLU A 2 7.383 -3.267 13.628 1.00 0.00 C ATOM 14 CD GLU A 2 7.015 -2.989 15.087 1.00 0.00 C ATOM 15 OE1 GLU A 2 7.810 -3.280 15.993 1.00 0.00 O ATOM 16 OE2 GLU A 2 5.857 -2.448 15.264 1.00 0.00 O ATOM 0 HA GLU A 2 6.152 -5.491 12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.735 -5.260 14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.980 -4.677 13.287 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.143 -2.558 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.510 -3.115 12.994 1.00 0.00 H new ATOM 24 N ALA A 3 8.494 -4.653 10.388 1.00 0.00 N ATOM 25 CA ALA A 3 8.746 -3.919 9.159 1.00 0.00 C ATOM 26 C ALA A 3 7.768 -4.388 8.080 1.00 0.00 C ATOM 27 O ALA A 3 7.206 -3.573 7.350 1.00 0.00 O ATOM 28 CB ALA A 3 10.207 -4.108 8.743 1.00 0.00 C ATOM 0 H ALA A 3 9.277 -5.219 10.715 1.00 0.00 H new ATOM 0 HA ALA A 3 8.584 -2.852 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.397 -3.558 7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.861 -3.733 9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.405 -5.167 8.580 1.00 0.00 H new ATOM 34 N VAL A 4 7.594 -5.700 8.014 1.00 0.00 N ATOM 35 CA VAL A 4 6.693 -6.287 7.036 1.00 0.00 C ATOM 36 C VAL A 4 5.414 -5.450 6.961 1.00 0.00 C ATOM 37 O VAL A 4 4.979 -5.073 5.874 1.00 0.00 O ATOM 38 CB VAL A 4 6.428 -7.753 7.383 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.328 -8.682 6.564 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.604 -8.003 8.882 1.00 0.00 C ATOM 0 H VAL A 4 8.061 -6.373 8.622 1.00 0.00 H new ATOM 0 HA VAL A 4 7.146 -6.278 6.045 1.00 0.00 H new ATOM 0 HB VAL A 4 5.393 -7.975 7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.119 -9.718 6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.133 -8.534 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.373 -8.456 6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.410 -9.053 9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.624 -7.754 9.175 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.904 -7.381 9.439 1.00 0.00 H new ATOM 50 N ILE A 5 4.849 -5.185 8.129 1.00 0.00 N ATOM 51 CA ILE A 5 3.629 -4.400 8.209 1.00 0.00 C ATOM 52 C ILE A 5 3.988 -2.918 8.329 1.00 0.00 C ATOM 53 O ILE A 5 3.354 -2.069 7.703 1.00 0.00 O ATOM 54 CB ILE A 5 2.737 -4.910 9.343 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.636 -6.437 9.317 1.00 0.00 C ATOM 56 CG2 ILE A 5 1.360 -4.244 9.299 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.785 -7.048 8.513 1.00 0.00 C ATOM 0 H ILE A 5 5.213 -5.500 9.028 1.00 0.00 H new ATOM 0 HA ILE A 5 3.043 -4.514 7.297 1.00 0.00 H new ATOM 0 HB ILE A 5 3.198 -4.634 10.291 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.654 -6.824 10.336 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.683 -6.735 8.880 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.746 -4.624 10.115 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.474 -3.165 9.403 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.878 -4.468 8.348 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.690 -8.134 8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.749 -6.678 7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.736 -6.768 8.967 1.00 0.00 H new ATOM 69 N LYS A 6 5.004 -2.651 9.136 1.00 0.00 N ATOM 70 CA LYS A 6 5.455 -1.286 9.346 1.00 0.00 C ATOM 71 C LYS A 6 5.681 -0.614 7.990 1.00 0.00 C ATOM 72 O LYS A 6 5.359 0.559 7.813 1.00 0.00 O ATOM 73 CB LYS A 6 6.685 -1.262 10.256 1.00 0.00 C ATOM 74 CG LYS A 6 6.353 -0.626 11.608 1.00 0.00 C ATOM 75 CD LYS A 6 7.608 -0.042 12.261 1.00 0.00 C ATOM 76 CE LYS A 6 7.292 0.522 13.648 1.00 0.00 C ATOM 77 NZ LYS A 6 6.697 1.873 13.534 1.00 0.00 N ATOM 0 H LYS A 6 5.528 -3.357 9.653 1.00 0.00 H new ATOM 0 HA LYS A 6 4.691 -0.708 9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.050 -2.278 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.488 -0.704 9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.610 0.160 11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.910 -1.373 12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.372 -0.815 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.018 0.746 11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.603 -0.143 14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.203 0.568 14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.488 2.242 14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.367 2.508 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.817 1.819 12.983 1.00 0.00 H new ATOM 90 N VAL A 7 6.233 -1.388 7.067 1.00 0.00 N ATOM 91 CA VAL A 7 6.505 -0.883 5.732 1.00 0.00 C ATOM 92 C VAL A 7 5.182 -0.594 5.020 1.00 0.00 C ATOM 93 O VAL A 7 4.902 0.549 4.663 1.00 0.00 O ATOM 94 CB VAL A 7 7.391 -1.870 4.969 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.574 -2.663 3.947 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.561 -1.150 4.296 1.00 0.00 C ATOM 0 H VAL A 7 6.499 -2.361 7.217 1.00 0.00 H new ATOM 0 HA VAL A 7 7.057 0.055 5.785 1.00 0.00 H new ATOM 0 HB VAL A 7 7.803 -2.577 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.227 -3.357 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.791 -3.221 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.120 -1.976 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.175 -1.875 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.177 -0.410 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.166 -0.652 5.054 1.00 0.00 H new ATOM 106 N ILE A 8 4.404 -1.650 4.836 1.00 0.00 N ATOM 107 CA ILE A 8 3.116 -1.524 4.174 1.00 0.00 C ATOM 108 C ILE A 8 2.320 -0.392 4.826 1.00 0.00 C ATOM 109 O ILE A 8 1.711 0.422 4.134 1.00 0.00 O ATOM 110 CB ILE A 8 2.383 -2.867 4.168 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.539 -3.571 2.818 1.00 0.00 C ATOM 112 CG2 ILE A 8 0.914 -2.691 4.557 1.00 0.00 C ATOM 113 CD1 ILE A 8 2.278 -2.603 1.662 1.00 0.00 C ATOM 0 H ILE A 8 4.640 -2.597 5.133 1.00 0.00 H new ATOM 0 HA ILE A 8 3.251 -1.256 3.126 1.00 0.00 H new ATOM 0 HB ILE A 8 2.840 -3.510 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.545 -3.983 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.845 -4.410 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.416 -3.660 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.851 -2.263 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.427 -2.024 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.395 -3.128 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.263 -2.212 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.989 -1.778 1.710 1.00 0.00 H new ATOM 125 N SER A 9 2.352 -0.376 6.150 1.00 0.00 N ATOM 126 CA SER A 9 1.641 0.643 6.904 1.00 0.00 C ATOM 127 C SER A 9 2.311 2.004 6.704 1.00 0.00 C ATOM 128 O SER A 9 1.721 2.909 6.115 1.00 0.00 O ATOM 129 CB SER A 9 1.588 0.291 8.392 1.00 0.00 C ATOM 130 OG SER A 9 0.928 1.297 9.155 1.00 0.00 O ATOM 0 H SER A 9 2.859 -1.052 6.721 1.00 0.00 H new ATOM 0 HA SER A 9 0.617 0.691 6.533 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.071 -0.660 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.602 0.157 8.769 1.00 0.00 H new ATOM 0 HG SER A 9 0.913 1.035 10.099 1.00 0.00 H new ATOM 136 N SER A 10 3.533 2.106 7.205 1.00 0.00 N ATOM 137 CA SER A 10 4.289 3.341 7.089 1.00 0.00 C ATOM 138 C SER A 10 4.431 3.731 5.616 1.00 0.00 C ATOM 139 O SER A 10 4.184 4.879 5.248 1.00 0.00 O ATOM 140 CB SER A 10 5.668 3.206 7.738 1.00 0.00 C ATOM 141 OG SER A 10 6.051 4.392 8.429 1.00 0.00 O ATOM 0 H SER A 10 4.019 1.353 7.692 1.00 0.00 H new ATOM 0 HA SER A 10 3.745 4.126 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.661 2.367 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.409 2.978 6.972 1.00 0.00 H new ATOM 0 HG SER A 10 6.936 4.265 8.830 1.00 0.00 H new ATOM 147 N ALA A 11 4.828 2.754 4.814 1.00 0.00 N ATOM 148 CA ALA A 11 5.005 2.981 3.390 1.00 0.00 C ATOM 149 C ALA A 11 3.715 3.559 2.805 1.00 0.00 C ATOM 150 O ALA A 11 3.706 4.680 2.299 1.00 0.00 O ATOM 151 CB ALA A 11 5.418 1.673 2.712 1.00 0.00 C ATOM 0 H ALA A 11 5.032 1.804 5.123 1.00 0.00 H new ATOM 0 HA ALA A 11 5.800 3.705 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.551 1.843 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.355 1.320 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.643 0.923 2.866 1.00 0.00 H new ATOM 157 N CYS A 12 2.656 2.767 2.893 1.00 0.00 N ATOM 158 CA CYS A 12 1.364 3.186 2.379 1.00 0.00 C ATOM 159 C CYS A 12 1.238 4.699 2.571 1.00 0.00 C ATOM 160 O CYS A 12 0.856 5.416 1.647 1.00 0.00 O ATOM 161 CB CYS A 12 0.216 2.428 3.049 1.00 0.00 C ATOM 162 SG CYS A 12 -1.388 3.004 2.381 1.00 0.00 S ATOM 0 H CYS A 12 2.667 1.837 3.313 1.00 0.00 H new ATOM 0 HA CYS A 12 1.298 2.949 1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.327 1.357 2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.247 2.583 4.127 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.186 3.300 3.364 1.00 0.00 H new ATOM 168 N LYS A 13 1.565 5.139 3.777 1.00 0.00 N ATOM 169 CA LYS A 13 1.493 6.554 4.102 1.00 0.00 C ATOM 170 C LYS A 13 2.883 7.178 3.954 1.00 0.00 C ATOM 171 O LYS A 13 3.112 7.985 3.055 1.00 0.00 O ATOM 172 CB LYS A 13 0.873 6.755 5.486 1.00 0.00 C ATOM 173 CG LYS A 13 0.479 8.217 5.703 1.00 0.00 C ATOM 174 CD LYS A 13 1.046 8.748 7.022 1.00 0.00 C ATOM 175 CE LYS A 13 2.572 8.647 7.043 1.00 0.00 C ATOM 176 NZ LYS A 13 3.155 9.768 7.812 1.00 0.00 N ATOM 0 H LYS A 13 1.880 4.541 4.541 1.00 0.00 H new ATOM 0 HA LYS A 13 0.834 7.072 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.006 6.118 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.583 6.448 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.846 8.823 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.607 8.308 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.745 9.787 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.629 8.182 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.873 7.698 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.957 8.659 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.192 9.684 7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.882 10.670 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.801 9.739 8.790 1.00 0.00 H new ATOM 189 N THR A 14 3.773 6.780 4.851 1.00 0.00 N ATOM 190 CA THR A 14 5.134 7.291 4.831 1.00 0.00 C ATOM 191 C THR A 14 5.675 7.313 3.400 1.00 0.00 C ATOM 192 O THR A 14 6.538 8.125 3.072 1.00 0.00 O ATOM 193 CB THR A 14 5.972 6.437 5.785 1.00 0.00 C ATOM 194 OG1 THR A 14 5.135 6.266 6.925 1.00 0.00 O ATOM 195 CG2 THR A 14 7.190 7.189 6.326 1.00 0.00 C ATOM 0 H THR A 14 3.579 6.110 5.596 1.00 0.00 H new ATOM 0 HA THR A 14 5.174 8.324 5.175 1.00 0.00 H new ATOM 0 HB THR A 14 6.301 5.535 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.572 5.666 7.565 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.750 6.539 6.998 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.829 7.491 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.859 8.074 6.870 1.00 0.00 H new ATOM 203 N TYR A 15 5.144 6.411 2.587 1.00 0.00 N ATOM 204 CA TYR A 15 5.563 6.317 1.199 1.00 0.00 C ATOM 205 C TYR A 15 4.967 7.456 0.368 1.00 0.00 C ATOM 206 O TYR A 15 5.593 8.502 0.204 1.00 0.00 O ATOM 207 CB TYR A 15 5.015 4.985 0.683 1.00 0.00 C ATOM 208 CG TYR A 15 5.956 4.256 -0.279 1.00 0.00 C ATOM 209 CD1 TYR A 15 6.978 4.946 -0.899 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.782 2.910 -0.526 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.864 4.260 -1.804 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.668 2.224 -1.431 1.00 0.00 C ATOM 213 CZ TYR A 15 7.665 2.933 -2.025 1.00 0.00 C ATOM 214 OH TYR A 15 8.501 2.285 -2.880 1.00 0.00 O ATOM 0 H TYR A 15 4.428 5.739 2.863 1.00 0.00 H new ATOM 0 HA TYR A 15 6.648 6.382 1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.807 4.336 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.065 5.165 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.113 6.000 -0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.982 2.371 -0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.668 4.787 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.543 1.170 -1.633 1.00 0.00 H new ATOM 0 HH TYR A 15 9.167 1.781 -2.367 1.00 0.00 H new ATOM 224 N CYS A 16 3.766 7.214 -0.134 1.00 0.00 N ATOM 225 CA CYS A 16 3.079 8.206 -0.943 1.00 0.00 C ATOM 226 C CYS A 16 1.870 8.715 -0.156 1.00 0.00 C ATOM 227 O CYS A 16 1.501 9.883 -0.265 1.00 0.00 O ATOM 228 CB CYS A 16 2.676 7.642 -2.308 1.00 0.00 C ATOM 229 SG CYS A 16 1.431 8.731 -3.092 1.00 0.00 S ATOM 0 H CYS A 16 3.250 6.345 0.004 1.00 0.00 H new ATOM 0 HA CYS A 16 3.752 9.038 -1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.553 7.558 -2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.270 6.637 -2.190 1.00 0.00 H new ATOM 0 HG CYS A 16 1.082 9.663 -2.256 1.00 0.00 H new ATOM 235 N GLY A 17 1.286 7.813 0.619 1.00 0.00 N ATOM 236 CA GLY A 17 0.127 8.156 1.425 1.00 0.00 C ATOM 237 C GLY A 17 0.498 9.155 2.523 1.00 0.00 C ATOM 238 O GLY A 17 -0.368 9.620 3.262 1.00 0.00 O ATOM 0 H GLY A 17 1.594 6.845 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.650 8.581 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.288 7.254 1.874 1.00 0.00 H new ATOM 242 N LYS A 18 1.786 9.454 2.596 1.00 0.00 N ATOM 243 CA LYS A 18 2.283 10.389 3.591 1.00 0.00 C ATOM 244 C LYS A 18 1.219 11.456 3.858 1.00 0.00 C ATOM 245 O LYS A 18 1.226 12.095 4.909 1.00 0.00 O ATOM 246 CB LYS A 18 3.635 10.962 3.161 1.00 0.00 C ATOM 247 CG LYS A 18 3.492 11.815 1.899 1.00 0.00 C ATOM 248 CD LYS A 18 4.862 12.151 1.306 1.00 0.00 C ATOM 249 CE LYS A 18 5.203 13.627 1.516 1.00 0.00 C ATOM 250 NZ LYS A 18 6.558 13.769 2.095 1.00 0.00 N ATOM 0 H LYS A 18 2.501 9.065 1.982 1.00 0.00 H new ATOM 0 HA LYS A 18 2.467 9.878 4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.051 11.566 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.337 10.149 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.893 11.281 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.959 12.736 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.626 11.528 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.867 11.921 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.150 14.157 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.468 14.085 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.773 14.777 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.597 13.280 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.257 13.350 1.449 1.00 0.00 H new ATOM 334 N LYS A 24 -7.470 7.488 4.302 1.00 0.00 N ATOM 335 CA LYS A 24 -7.344 6.294 3.483 1.00 0.00 C ATOM 336 C LYS A 24 -5.872 5.882 3.414 1.00 0.00 C ATOM 337 O LYS A 24 -5.491 5.068 2.574 1.00 0.00 O ATOM 338 CB LYS A 24 -7.986 6.515 2.112 1.00 0.00 C ATOM 339 CG LYS A 24 -9.131 5.527 1.878 1.00 0.00 C ATOM 340 CD LYS A 24 -10.301 6.204 1.162 1.00 0.00 C ATOM 341 CE LYS A 24 -9.804 7.113 0.036 1.00 0.00 C ATOM 342 NZ LYS A 24 -10.530 6.826 -1.221 1.00 0.00 N ATOM 0 HA LYS A 24 -7.887 5.463 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.362 7.536 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.234 6.398 1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.774 4.685 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.469 5.123 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.970 5.446 0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.880 6.788 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.946 8.157 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.734 6.965 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.180 7.452 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.374 5.835 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.547 6.990 -1.079 1.00 0.00 H new ATOM 355 N GLU A 25 -5.085 6.464 4.307 1.00 0.00 N ATOM 356 CA GLU A 25 -3.663 6.167 4.357 1.00 0.00 C ATOM 357 C GLU A 25 -3.428 4.804 5.012 1.00 0.00 C ATOM 358 O GLU A 25 -3.273 3.799 4.321 1.00 0.00 O ATOM 359 CB GLU A 25 -2.900 7.269 5.095 1.00 0.00 C ATOM 360 CG GLU A 25 -2.777 8.525 4.230 1.00 0.00 C ATOM 361 CD GLU A 25 -4.098 9.298 4.196 1.00 0.00 C ATOM 362 OE1 GLU A 25 -4.636 9.558 3.110 1.00 0.00 O ATOM 363 OE2 GLU A 25 -4.565 9.630 5.352 1.00 0.00 O ATOM 0 H GLU A 25 -5.405 7.139 5.001 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.283 6.127 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.414 7.512 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.907 6.910 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.987 9.165 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.488 8.246 3.217 1.00 0.00 H new ATOM 371 N ILE A 26 -3.409 4.815 6.336 1.00 0.00 N ATOM 372 CA ILE A 26 -3.195 3.592 7.091 1.00 0.00 C ATOM 373 C ILE A 26 -4.191 2.529 6.624 1.00 0.00 C ATOM 374 O ILE A 26 -3.815 1.380 6.397 1.00 0.00 O ATOM 375 CB ILE A 26 -3.256 3.873 8.594 1.00 0.00 C ATOM 376 CG1 ILE A 26 -2.201 4.904 9.002 1.00 0.00 C ATOM 377 CG2 ILE A 26 -3.132 2.578 9.399 1.00 0.00 C ATOM 378 CD1 ILE A 26 -0.796 4.302 8.950 1.00 0.00 C ATOM 0 H ILE A 26 -3.538 5.651 6.906 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.196 3.198 6.903 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.232 4.302 8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.255 5.767 8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.409 5.263 10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.178 2.806 10.464 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.949 1.906 9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.180 2.098 9.172 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.066 5.056 9.245 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.738 3.454 9.633 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.581 3.966 7.936 1.00 0.00 H new ATOM 390 N GLY A 27 -5.440 2.950 6.495 1.00 0.00 N ATOM 391 CA GLY A 27 -6.492 2.048 6.059 1.00 0.00 C ATOM 392 C GLY A 27 -6.071 1.279 4.804 1.00 0.00 C ATOM 393 O GLY A 27 -6.237 0.063 4.732 1.00 0.00 O ATOM 0 H GLY A 27 -5.747 3.904 6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.728 1.345 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.400 2.615 5.855 1.00 0.00 H new ATOM 397 N ALA A 28 -5.534 2.021 3.847 1.00 0.00 N ATOM 398 CA ALA A 28 -5.087 1.425 2.600 1.00 0.00 C ATOM 399 C ALA A 28 -4.102 0.294 2.904 1.00 0.00 C ATOM 400 O ALA A 28 -4.293 -0.837 2.459 1.00 0.00 O ATOM 401 CB ALA A 28 -4.476 2.506 1.707 1.00 0.00 C ATOM 0 H ALA A 28 -5.398 3.030 3.910 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.928 0.993 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.141 2.058 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.225 3.270 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.627 2.961 2.216 1.00 0.00 H new ATOM 407 N MET A 29 -3.070 0.639 3.660 1.00 0.00 N ATOM 408 CA MET A 29 -2.055 -0.333 4.028 1.00 0.00 C ATOM 409 C MET A 29 -2.676 -1.711 4.268 1.00 0.00 C ATOM 410 O MET A 29 -2.133 -2.725 3.832 1.00 0.00 O ATOM 411 CB MET A 29 -1.339 0.132 5.298 1.00 0.00 C ATOM 412 CG MET A 29 -1.077 -1.043 6.242 1.00 0.00 C ATOM 413 SD MET A 29 -2.397 -1.174 7.436 1.00 0.00 S ATOM 414 CE MET A 29 -1.508 -0.755 8.927 1.00 0.00 C ATOM 0 H MET A 29 -2.915 1.578 4.028 1.00 0.00 H new ATOM 0 HA MET A 29 -1.343 -0.414 3.207 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.395 0.608 5.034 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.944 0.883 5.806 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.999 -1.968 5.671 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.125 -0.903 6.754 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.184 -0.806 9.780 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.688 -1.458 9.071 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.108 0.255 8.841 1.00 0.00 H new ATOM 424 N LEU A 30 -3.806 -1.703 4.960 1.00 0.00 N ATOM 425 CA LEU A 30 -4.507 -2.939 5.263 1.00 0.00 C ATOM 426 C LEU A 30 -5.535 -3.219 4.165 1.00 0.00 C ATOM 427 O LEU A 30 -5.360 -4.137 3.365 1.00 0.00 O ATOM 428 CB LEU A 30 -5.108 -2.884 6.669 1.00 0.00 C ATOM 429 CG LEU A 30 -4.594 -3.930 7.660 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.018 -3.264 8.911 1.00 0.00 C ATOM 431 CD2 LEU A 30 -5.687 -4.945 8.002 1.00 0.00 C ATOM 0 H LEU A 30 -4.253 -0.860 5.320 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.812 -3.779 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.919 -1.894 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.189 -2.993 6.585 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.781 -4.480 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.660 -4.030 9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.190 -2.614 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.793 -2.673 9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.295 -5.677 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.536 -4.428 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.009 -5.453 7.093 1.00 0.00 H new ATOM 443 N SER A 31 -6.586 -2.412 4.162 1.00 0.00 N ATOM 444 CA SER A 31 -7.642 -2.562 3.176 1.00 0.00 C ATOM 445 C SER A 31 -7.039 -2.647 1.772 1.00 0.00 C ATOM 446 O SER A 31 -7.558 -3.357 0.912 1.00 0.00 O ATOM 447 CB SER A 31 -8.638 -1.403 3.256 1.00 0.00 C ATOM 448 OG SER A 31 -9.962 -1.855 3.529 1.00 0.00 O ATOM 0 H SER A 31 -6.729 -1.652 4.827 1.00 0.00 H new ATOM 0 HA SER A 31 -8.181 -3.485 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.324 -0.708 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.630 -0.852 2.315 1.00 0.00 H new ATOM 0 HG SER A 31 -10.568 -1.086 3.574 1.00 0.00 H new ATOM 454 N LEU A 32 -5.952 -1.913 1.584 1.00 0.00 N ATOM 455 CA LEU A 32 -5.273 -1.897 0.300 1.00 0.00 C ATOM 456 C LEU A 32 -4.606 -3.254 0.063 1.00 0.00 C ATOM 457 O LEU A 32 -5.014 -4.004 -0.822 1.00 0.00 O ATOM 458 CB LEU A 32 -4.306 -0.715 0.220 1.00 0.00 C ATOM 459 CG LEU A 32 -4.093 -0.115 -1.172 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.530 -1.094 -2.263 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.797 1.238 -1.299 1.00 0.00 C ATOM 0 H LEU A 32 -5.525 -1.325 2.300 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.990 -1.748 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.670 0.072 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.339 -1.035 0.608 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.026 0.063 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.368 -0.643 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.946 -2.011 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.588 -1.326 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.630 1.643 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.867 1.108 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.396 1.928 -0.556 1.00 0.00 H new ATOM 473 N LEU A 33 -3.592 -3.528 0.871 1.00 0.00 N ATOM 474 CA LEU A 33 -2.865 -4.781 0.760 1.00 0.00 C ATOM 475 C LEU A 33 -3.751 -5.925 1.257 1.00 0.00 C ATOM 476 O LEU A 33 -3.897 -6.941 0.579 1.00 0.00 O ATOM 477 CB LEU A 33 -1.520 -4.686 1.484 1.00 0.00 C ATOM 478 CG LEU A 33 -0.458 -3.813 0.813 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.317 -4.605 -0.241 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.080 -2.541 0.232 1.00 0.00 C ATOM 0 H LEU A 33 -3.257 -2.904 1.605 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.626 -4.992 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.697 -4.301 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.117 -5.693 1.595 1.00 0.00 H new ATOM 0 HG LEU A 33 0.259 -3.502 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.065 -3.961 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.811 -5.454 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.372 -4.965 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.303 -1.939 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.831 -2.810 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.549 -1.967 1.031 1.00 0.00 H new ATOM 492 N GLN A 34 -4.319 -5.722 2.437 1.00 0.00 N ATOM 493 CA GLN A 34 -5.186 -6.724 3.032 1.00 0.00 C ATOM 494 C GLN A 34 -6.451 -6.900 2.188 1.00 0.00 C ATOM 495 O GLN A 34 -7.325 -7.695 2.532 1.00 0.00 O ATOM 496 CB GLN A 34 -5.537 -6.358 4.476 1.00 0.00 C ATOM 497 CG GLN A 34 -5.182 -7.498 5.432 1.00 0.00 C ATOM 498 CD GLN A 34 -4.093 -7.069 6.417 1.00 0.00 C ATOM 499 OE1 GLN A 34 -3.135 -6.397 6.069 1.00 0.00 O ATOM 500 NE2 GLN A 34 -4.291 -7.493 7.662 1.00 0.00 N ATOM 0 H GLN A 34 -4.195 -4.878 2.997 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.651 -7.673 3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.001 -5.455 4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.601 -6.135 4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.072 -7.808 5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.842 -8.363 4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.114 -8.052 7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.620 -7.259 8.393 1.00 0.00 H new ATOM 509 N LYS A 35 -6.507 -6.146 1.101 1.00 0.00 N ATOM 510 CA LYS A 35 -7.650 -6.209 0.205 1.00 0.00 C ATOM 511 C LYS A 35 -7.158 -6.204 -1.244 1.00 0.00 C ATOM 512 O LYS A 35 -7.875 -5.772 -2.145 1.00 0.00 O ATOM 513 CB LYS A 35 -8.641 -5.087 0.522 1.00 0.00 C ATOM 514 CG LYS A 35 -10.079 -5.611 0.528 1.00 0.00 C ATOM 515 CD LYS A 35 -10.454 -6.167 1.902 1.00 0.00 C ATOM 516 CE LYS A 35 -11.881 -6.721 1.899 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.693 -6.069 2.951 1.00 0.00 N ATOM 0 H LYS A 35 -5.780 -5.488 0.820 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.199 -7.139 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.405 -4.652 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.543 -4.291 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.764 -4.807 0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.189 -6.390 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.755 -6.955 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.367 -5.381 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.339 -6.557 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.859 -7.798 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.658 -6.457 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.264 -6.247 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.729 -5.044 2.777 1.00 0.00 H new ATOM 530 N GLU A 36 -5.939 -6.690 -1.422 1.00 0.00 N ATOM 531 CA GLU A 36 -5.343 -6.747 -2.746 1.00 0.00 C ATOM 532 C GLU A 36 -4.560 -8.050 -2.920 1.00 0.00 C ATOM 533 O GLU A 36 -3.874 -8.237 -3.924 1.00 0.00 O ATOM 534 CB GLU A 36 -4.448 -5.531 -2.998 1.00 0.00 C ATOM 535 CG GLU A 36 -5.256 -4.365 -3.570 1.00 0.00 C ATOM 536 CD GLU A 36 -6.490 -4.868 -4.320 1.00 0.00 C ATOM 537 OE1 GLU A 36 -6.375 -5.760 -5.175 1.00 0.00 O ATOM 538 OE2 GLU A 36 -7.600 -4.300 -3.988 1.00 0.00 O ATOM 0 H GLU A 36 -5.348 -7.048 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.144 -6.726 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.972 -5.226 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.650 -5.799 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.563 -3.700 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.630 -3.780 -4.244 1.00 0.00 H new ATOM 546 N GLY A 37 -4.688 -8.917 -1.927 1.00 0.00 N ATOM 547 CA GLY A 37 -4.001 -10.197 -1.957 1.00 0.00 C ATOM 548 C GLY A 37 -2.904 -10.256 -0.892 1.00 0.00 C ATOM 549 O GLY A 37 -1.969 -11.047 -1.002 1.00 0.00 O ATOM 0 H GLY A 37 -5.258 -8.758 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.717 -11.002 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.564 -10.356 -2.943 1.00 0.00 H new ATOM 553 N LEU A 38 -3.056 -9.409 0.115 1.00 0.00 N ATOM 554 CA LEU A 38 -2.090 -9.355 1.200 1.00 0.00 C ATOM 555 C LEU A 38 -2.808 -9.599 2.529 1.00 0.00 C ATOM 556 O LEU A 38 -2.499 -8.958 3.532 1.00 0.00 O ATOM 557 CB LEU A 38 -1.308 -8.040 1.156 1.00 0.00 C ATOM 558 CG LEU A 38 -0.616 -7.716 -0.170 1.00 0.00 C ATOM 559 CD1 LEU A 38 0.170 -8.922 -0.687 1.00 0.00 C ATOM 560 CD2 LEU A 38 -1.621 -7.201 -1.202 1.00 0.00 C ATOM 0 H LEU A 38 -3.833 -8.754 0.203 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.347 -10.145 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.992 -7.225 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.553 -8.063 1.941 1.00 0.00 H new ATOM 0 HG LEU A 38 0.102 -6.915 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.652 -8.665 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.929 -9.202 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.510 -9.760 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.103 -6.978 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.381 -7.962 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.097 -6.295 -0.826 1.00 0.00 H new ATOM 572 N LEU A 39 -3.753 -10.527 2.493 1.00 0.00 N ATOM 573 CA LEU A 39 -4.517 -10.863 3.682 1.00 0.00 C ATOM 574 C LEU A 39 -4.088 -12.243 4.185 1.00 0.00 C ATOM 575 O LEU A 39 -4.669 -12.771 5.132 1.00 0.00 O ATOM 576 CB LEU A 39 -6.018 -10.749 3.404 1.00 0.00 C ATOM 577 CG LEU A 39 -6.843 -10.021 4.467 1.00 0.00 C ATOM 578 CD1 LEU A 39 -8.335 -10.319 4.303 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.343 -10.357 5.874 1.00 0.00 C ATOM 0 H LEU A 39 -4.007 -11.057 1.659 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.309 -10.153 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.153 -10.235 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.423 -11.754 3.284 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.712 -8.948 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.898 -9.789 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.666 -9.989 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.505 -11.391 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.946 -9.827 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.425 -11.431 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.301 -10.053 5.972 1.00 0.00 H new ATOM 591 N MET A 40 -3.074 -12.788 3.529 1.00 0.00 N ATOM 592 CA MET A 40 -2.560 -14.096 3.898 1.00 0.00 C ATOM 593 C MET A 40 -1.247 -13.970 4.672 1.00 0.00 C ATOM 594 O MET A 40 -0.552 -14.963 4.888 1.00 0.00 O ATOM 595 CB MET A 40 -2.332 -14.930 2.636 1.00 0.00 C ATOM 596 CG MET A 40 -2.193 -16.414 2.977 1.00 0.00 C ATOM 597 SD MET A 40 -3.279 -17.384 1.945 1.00 0.00 S ATOM 598 CE MET A 40 -4.755 -17.368 2.948 1.00 0.00 C ATOM 0 H MET A 40 -2.594 -12.347 2.744 1.00 0.00 H new ATOM 0 HA MET A 40 -3.292 -14.586 4.540 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.164 -14.788 1.947 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.433 -14.585 2.125 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.161 -16.733 2.833 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.434 -16.578 4.027 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.541 -17.933 2.448 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.542 -17.821 3.916 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.085 -16.339 3.094 1.00 0.00 H new ATOM 608 N SER A 41 -0.945 -12.742 5.067 1.00 0.00 N ATOM 609 CA SER A 41 0.274 -12.474 5.812 1.00 0.00 C ATOM 610 C SER A 41 0.946 -11.208 5.277 1.00 0.00 C ATOM 611 O SER A 41 1.332 -11.151 4.111 1.00 0.00 O ATOM 612 CB SER A 41 1.238 -13.660 5.736 1.00 0.00 C ATOM 613 OG SER A 41 2.519 -13.342 6.273 1.00 0.00 O ATOM 0 H SER A 41 -1.523 -11.921 4.885 1.00 0.00 H new ATOM 0 HA SER A 41 0.009 -12.323 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.816 -14.505 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.348 -13.972 4.697 1.00 0.00 H new ATOM 0 HG SER A 41 3.136 -13.127 5.542 1.00 0.00 H new ATOM 619 N PRO A 42 1.070 -10.198 6.180 1.00 0.00 N ATOM 620 CA PRO A 42 1.689 -8.937 5.811 1.00 0.00 C ATOM 621 C PRO A 42 3.209 -9.081 5.711 1.00 0.00 C ATOM 622 O PRO A 42 3.906 -8.126 5.369 1.00 0.00 O ATOM 623 CB PRO A 42 1.254 -7.955 6.887 1.00 0.00 C ATOM 624 CG PRO A 42 0.795 -8.803 8.062 1.00 0.00 C ATOM 625 CD PRO A 42 0.625 -10.230 7.570 1.00 0.00 C ATOM 0 HA PRO A 42 1.380 -8.589 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.077 -7.301 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.448 -7.314 6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.525 -8.763 8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.145 -8.423 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.221 -10.926 8.161 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.413 -10.554 7.646 1.00 0.00 H new ATOM 633 N SER A 43 3.679 -10.281 6.017 1.00 0.00 N ATOM 634 CA SER A 43 5.104 -10.562 5.966 1.00 0.00 C ATOM 635 C SER A 43 5.598 -10.505 4.519 1.00 0.00 C ATOM 636 O SER A 43 6.801 -10.448 4.272 1.00 0.00 O ATOM 637 CB SER A 43 5.418 -11.927 6.581 1.00 0.00 C ATOM 638 OG SER A 43 6.384 -11.834 7.625 1.00 0.00 O ATOM 0 H SER A 43 3.099 -11.070 6.301 1.00 0.00 H new ATOM 0 HA SER A 43 5.623 -9.802 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.501 -12.367 6.974 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.787 -12.598 5.805 1.00 0.00 H new ATOM 0 HG SER A 43 7.280 -11.751 7.236 1.00 0.00 H new ATOM 644 N ASP A 44 4.643 -10.522 3.601 1.00 0.00 N ATOM 645 CA ASP A 44 4.966 -10.473 2.185 1.00 0.00 C ATOM 646 C ASP A 44 6.161 -9.542 1.971 1.00 0.00 C ATOM 647 O ASP A 44 6.933 -9.723 1.030 1.00 0.00 O ATOM 648 CB ASP A 44 3.791 -9.928 1.371 1.00 0.00 C ATOM 649 CG ASP A 44 3.889 -10.156 -0.139 1.00 0.00 C ATOM 650 OD1 ASP A 44 3.620 -9.249 -0.941 1.00 0.00 O ATOM 651 OD2 ASP A 44 4.265 -11.340 -0.488 1.00 0.00 O ATOM 0 H ASP A 44 3.646 -10.569 3.810 1.00 0.00 H new ATOM 0 HA ASP A 44 5.194 -11.487 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.872 -10.389 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.705 -8.857 1.557 1.00 0.00 H new ATOM 657 N LEU A 45 6.277 -8.566 2.859 1.00 0.00 N ATOM 658 CA LEU A 45 7.365 -7.607 2.779 1.00 0.00 C ATOM 659 C LEU A 45 8.700 -8.344 2.905 1.00 0.00 C ATOM 660 O LEU A 45 9.695 -7.940 2.307 1.00 0.00 O ATOM 661 CB LEU A 45 7.177 -6.495 3.813 1.00 0.00 C ATOM 662 CG LEU A 45 8.458 -5.921 4.422 1.00 0.00 C ATOM 663 CD1 LEU A 45 8.179 -4.599 5.141 1.00 0.00 C ATOM 664 CD2 LEU A 45 9.133 -6.941 5.340 1.00 0.00 C ATOM 0 H LEU A 45 5.635 -8.419 3.638 1.00 0.00 H new ATOM 0 HA LEU A 45 7.364 -7.111 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.624 -5.680 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.555 -6.879 4.621 1.00 0.00 H new ATOM 0 HG LEU A 45 9.155 -5.706 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.106 -4.213 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.776 -3.877 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.456 -4.765 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.041 -6.508 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.452 -7.210 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.388 -7.833 4.768 1.00 0.00 H new ATOM 676 N TYR A 46 8.677 -9.413 3.688 1.00 0.00 N ATOM 677 CA TYR A 46 9.873 -10.210 3.901 1.00 0.00 C ATOM 678 C TYR A 46 10.458 -10.687 2.570 1.00 0.00 C ATOM 679 O TYR A 46 11.581 -11.187 2.524 1.00 0.00 O ATOM 680 CB TYR A 46 9.429 -11.427 4.714 1.00 0.00 C ATOM 681 CG TYR A 46 9.337 -11.170 6.220 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.734 -9.954 6.737 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.857 -12.154 7.060 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.648 -9.711 8.154 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.771 -11.912 8.477 1.00 0.00 C ATOM 686 CZ TYR A 46 9.170 -10.702 8.954 1.00 0.00 C ATOM 687 OH TYR A 46 9.089 -10.473 10.292 1.00 0.00 O ATOM 0 H TYR A 46 7.849 -9.745 4.182 1.00 0.00 H new ATOM 0 HA TYR A 46 10.639 -9.624 4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.455 -11.757 4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.129 -12.244 4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.109 -9.184 6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.546 -13.106 6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.956 -8.764 8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.398 -12.674 9.146 1.00 0.00 H new ATOM 0 HH TYR A 46 8.729 -11.268 10.739 1.00 0.00 H new ATOM 697 N SER A 47 9.669 -10.516 1.519 1.00 0.00 N ATOM 698 CA SER A 47 10.095 -10.923 0.190 1.00 0.00 C ATOM 699 C SER A 47 10.133 -9.710 -0.741 1.00 0.00 C ATOM 700 O SER A 47 9.349 -8.775 -0.582 1.00 0.00 O ATOM 701 CB SER A 47 9.169 -12.000 -0.379 1.00 0.00 C ATOM 702 OG SER A 47 9.451 -12.277 -1.748 1.00 0.00 O ATOM 0 H SER A 47 8.738 -10.102 1.561 1.00 0.00 H new ATOM 0 HA SER A 47 11.097 -11.346 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.274 -12.914 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.133 -11.676 -0.280 1.00 0.00 H new ATOM 0 HG SER A 47 8.840 -12.971 -2.074 1.00 0.00 H new ATOM 708 N PRO A 48 11.078 -9.764 -1.718 1.00 0.00 N ATOM 709 CA PRO A 48 11.229 -8.682 -2.675 1.00 0.00 C ATOM 710 C PRO A 48 10.105 -8.706 -3.713 1.00 0.00 C ATOM 711 O PRO A 48 10.019 -9.632 -4.518 1.00 0.00 O ATOM 712 CB PRO A 48 12.606 -8.885 -3.286 1.00 0.00 C ATOM 713 CG PRO A 48 12.983 -10.328 -2.992 1.00 0.00 C ATOM 714 CD PRO A 48 12.024 -10.855 -1.936 1.00 0.00 C ATOM 0 HA PRO A 48 11.155 -7.698 -2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.589 -8.697 -4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.331 -8.196 -2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.922 -10.931 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.012 -10.389 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.516 -11.757 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.550 -11.113 -1.017 1.00 0.00 H new ATOM 722 N GLY A 49 9.272 -7.677 -3.660 1.00 0.00 N ATOM 723 CA GLY A 49 8.157 -7.569 -4.586 1.00 0.00 C ATOM 724 C GLY A 49 6.822 -7.727 -3.856 1.00 0.00 C ATOM 725 O GLY A 49 6.082 -8.678 -4.106 1.00 0.00 O ATOM 0 H GLY A 49 9.347 -6.911 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.189 -6.602 -5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.246 -8.333 -5.359 1.00 0.00 H new ATOM 729 N SER A 50 6.553 -6.781 -2.969 1.00 0.00 N ATOM 730 CA SER A 50 5.319 -6.803 -2.201 1.00 0.00 C ATOM 731 C SER A 50 4.393 -5.678 -2.667 1.00 0.00 C ATOM 732 O SER A 50 3.200 -5.686 -2.366 1.00 0.00 O ATOM 733 CB SER A 50 5.601 -6.673 -0.703 1.00 0.00 C ATOM 734 OG SER A 50 5.321 -7.880 0.000 1.00 0.00 O ATOM 0 H SER A 50 7.168 -5.994 -2.764 1.00 0.00 H new ATOM 0 HA SER A 50 4.828 -7.762 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.646 -6.400 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.998 -5.865 -0.290 1.00 0.00 H new ATOM 0 HG SER A 50 6.090 -8.484 -0.068 1.00 0.00 H new ATOM 740 N TRP A 51 4.976 -4.737 -3.395 1.00 0.00 N ATOM 741 CA TRP A 51 4.218 -3.608 -3.906 1.00 0.00 C ATOM 742 C TRP A 51 3.816 -3.922 -5.349 1.00 0.00 C ATOM 743 O TRP A 51 2.925 -3.280 -5.902 1.00 0.00 O ATOM 744 CB TRP A 51 5.015 -2.309 -3.777 1.00 0.00 C ATOM 745 CG TRP A 51 5.087 -1.762 -2.349 1.00 0.00 C ATOM 746 CD1 TRP A 51 6.037 -1.980 -1.430 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.128 -0.893 -1.712 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.762 -1.317 -0.251 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.563 -0.635 -0.428 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.931 -0.343 -2.204 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.863 0.179 0.470 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.243 0.469 -1.294 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.668 0.738 0.002 1.00 0.00 C ATOM 0 H TRP A 51 5.965 -4.733 -3.643 1.00 0.00 H new ATOM 0 HA TRP A 51 3.313 -3.454 -3.318 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.028 -2.479 -4.142 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.566 -1.554 -4.422 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.909 -2.597 -1.591 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.333 -1.326 0.594 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.571 -0.532 -3.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.225 0.366 1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.317 0.918 -1.622 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.079 1.375 0.645 1.00 0.00 H new ATOM 764 N ASP A 52 4.493 -4.909 -5.916 1.00 0.00 N ATOM 765 CA ASP A 52 4.218 -5.316 -7.284 1.00 0.00 C ATOM 766 C ASP A 52 2.987 -6.224 -7.303 1.00 0.00 C ATOM 767 O ASP A 52 2.266 -6.277 -8.299 1.00 0.00 O ATOM 768 CB ASP A 52 5.393 -6.099 -7.872 1.00 0.00 C ATOM 769 CG ASP A 52 5.928 -5.562 -9.201 1.00 0.00 C ATOM 770 OD1 ASP A 52 6.256 -6.332 -10.116 1.00 0.00 O ATOM 771 OD2 ASP A 52 6.004 -4.276 -9.279 1.00 0.00 O ATOM 0 H ASP A 52 5.231 -5.439 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 52 4.052 -4.417 -7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.206 -6.104 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.085 -7.135 -8.014 1.00 0.00 H new ATOM 777 N PRO A 53 2.779 -6.935 -6.163 1.00 0.00 N ATOM 778 CA PRO A 53 1.648 -7.838 -6.040 1.00 0.00 C ATOM 779 C PRO A 53 0.346 -7.061 -5.834 1.00 0.00 C ATOM 780 O PRO A 53 -0.709 -7.471 -6.318 1.00 0.00 O ATOM 781 CB PRO A 53 1.991 -8.741 -4.866 1.00 0.00 C ATOM 782 CG PRO A 53 3.078 -8.018 -4.088 1.00 0.00 C ATOM 783 CD PRO A 53 3.612 -6.897 -4.964 1.00 0.00 C ATOM 0 HA PRO A 53 1.480 -8.426 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.116 -8.919 -4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.339 -9.715 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.678 -7.617 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.879 -8.708 -3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.539 -5.933 -4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.663 -7.051 -5.207 1.00 0.00 H new ATOM 791 N ILE A 54 0.462 -5.953 -5.117 1.00 0.00 N ATOM 792 CA ILE A 54 -0.693 -5.115 -4.842 1.00 0.00 C ATOM 793 C ILE A 54 -1.083 -4.358 -6.113 1.00 0.00 C ATOM 794 O ILE A 54 -2.227 -3.930 -6.259 1.00 0.00 O ATOM 795 CB ILE A 54 -0.421 -4.205 -3.643 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.662 -4.079 -2.757 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.099 -2.840 -4.098 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.033 -2.611 -2.538 1.00 0.00 C ATOM 0 H ILE A 54 1.338 -5.616 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.550 -5.727 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 54 0.361 -4.663 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.498 -4.604 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.477 -4.558 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.284 -2.212 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.027 -2.971 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.643 -2.363 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.918 -2.550 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.204 -2.095 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.241 -2.141 -3.499 1.00 0.00 H new ATOM 810 N THR A 55 -0.109 -4.216 -7.001 1.00 0.00 N ATOM 811 CA THR A 55 -0.336 -3.518 -8.255 1.00 0.00 C ATOM 812 C THR A 55 -1.343 -4.282 -9.116 1.00 0.00 C ATOM 813 O THR A 55 -2.405 -3.759 -9.449 1.00 0.00 O ATOM 814 CB THR A 55 1.019 -3.318 -8.937 1.00 0.00 C ATOM 815 OG1 THR A 55 1.307 -1.937 -8.738 1.00 0.00 O ATOM 816 CG2 THR A 55 0.937 -3.467 -10.457 1.00 0.00 C ATOM 0 H THR A 55 0.839 -4.572 -6.877 1.00 0.00 H new ATOM 0 HA THR A 55 -0.779 -2.536 -8.087 1.00 0.00 H new ATOM 0 HB THR A 55 1.735 -4.038 -8.540 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.275 -1.469 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.925 -3.316 -10.891 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.581 -4.467 -10.706 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.247 -2.725 -10.859 1.00 0.00 H new ATOM 824 N ALA A 56 -0.974 -5.509 -9.453 1.00 0.00 N ATOM 825 CA ALA A 56 -1.831 -6.351 -10.270 1.00 0.00 C ATOM 826 C ALA A 56 -3.009 -6.842 -9.426 1.00 0.00 C ATOM 827 O ALA A 56 -3.973 -7.390 -9.959 1.00 0.00 O ATOM 828 CB ALA A 56 -1.011 -7.504 -10.852 1.00 0.00 C ATOM 0 H ALA A 56 -0.093 -5.940 -9.175 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.238 -5.785 -11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.655 -8.135 -11.465 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.205 -7.103 -11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.589 -8.096 -10.040 1.00 0.00 H new ATOM 834 N ALA A 57 -2.893 -6.627 -8.124 1.00 0.00 N ATOM 835 CA ALA A 57 -3.937 -7.041 -7.201 1.00 0.00 C ATOM 836 C ALA A 57 -5.238 -6.316 -7.551 1.00 0.00 C ATOM 837 O ALA A 57 -6.121 -6.890 -8.186 1.00 0.00 O ATOM 838 CB ALA A 57 -3.486 -6.769 -5.765 1.00 0.00 C ATOM 0 H ALA A 57 -2.092 -6.172 -7.686 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.123 -8.112 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.269 -7.079 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.575 -7.330 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.293 -5.704 -5.640 1.00 0.00 H new ATOM 844 N LEU A 58 -5.314 -5.065 -7.122 1.00 0.00 N ATOM 845 CA LEU A 58 -6.492 -4.255 -7.382 1.00 0.00 C ATOM 846 C LEU A 58 -6.799 -4.274 -8.881 1.00 0.00 C ATOM 847 O LEU A 58 -7.957 -4.384 -9.280 1.00 0.00 O ATOM 848 CB LEU A 58 -6.313 -2.848 -6.809 1.00 0.00 C ATOM 849 CG LEU A 58 -5.286 -1.961 -7.518 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.896 -2.601 -7.487 1.00 0.00 C ATOM 851 CD2 LEU A 58 -5.735 -1.634 -8.943 1.00 0.00 C ATOM 0 H LEU A 58 -4.579 -4.592 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.361 -4.673 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.278 -2.342 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.025 -2.938 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.218 -1.017 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.185 -1.951 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.583 -2.740 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.929 -3.568 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.988 -1.003 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.849 -2.558 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.689 -1.108 -8.912 1.00 0.00 H new ATOM 863 N SER A 59 -5.740 -4.166 -9.670 1.00 0.00 N ATOM 864 CA SER A 59 -5.881 -4.170 -11.116 1.00 0.00 C ATOM 865 C SER A 59 -6.676 -5.399 -11.561 1.00 0.00 C ATOM 866 O SER A 59 -7.463 -5.326 -12.504 1.00 0.00 O ATOM 867 CB SER A 59 -4.514 -4.145 -11.803 1.00 0.00 C ATOM 868 OG SER A 59 -4.605 -3.711 -13.158 1.00 0.00 O ATOM 0 H SER A 59 -4.781 -4.075 -9.335 1.00 0.00 H new ATOM 0 HA SER A 59 -6.421 -3.270 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.845 -3.482 -11.254 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.074 -5.142 -11.770 1.00 0.00 H new ATOM 0 HG SER A 59 -3.712 -3.707 -13.561 1.00 0.00 H new ATOM 874 N GLN A 60 -6.444 -6.500 -10.862 1.00 0.00 N ATOM 875 CA GLN A 60 -7.128 -7.743 -11.173 1.00 0.00 C ATOM 876 C GLN A 60 -8.588 -7.672 -10.721 1.00 0.00 C ATOM 877 O GLN A 60 -9.433 -8.416 -11.218 1.00 0.00 O ATOM 878 CB GLN A 60 -6.414 -8.937 -10.536 1.00 0.00 C ATOM 879 CG GLN A 60 -7.394 -10.080 -10.262 1.00 0.00 C ATOM 880 CD GLN A 60 -7.987 -10.618 -11.566 1.00 0.00 C ATOM 881 OE1 GLN A 60 -9.190 -10.739 -11.728 1.00 0.00 O ATOM 882 NE2 GLN A 60 -7.078 -10.932 -12.485 1.00 0.00 N ATOM 0 H GLN A 60 -5.791 -6.557 -10.080 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.109 -7.885 -12.254 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.620 -9.285 -11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.941 -8.627 -9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.882 -10.883 -9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.195 -9.729 -9.612 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.086 -10.806 -12.285 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.373 -11.298 -13.390 1.00 0.00 H new ATOM 891 N ARG A 61 -8.841 -6.771 -9.783 1.00 0.00 N ATOM 892 CA ARG A 61 -10.185 -6.594 -9.258 1.00 0.00 C ATOM 893 C ARG A 61 -10.272 -5.297 -8.451 1.00 0.00 C ATOM 894 O ARG A 61 -10.393 -5.330 -7.227 1.00 0.00 O ATOM 895 CB ARG A 61 -10.587 -7.770 -8.366 1.00 0.00 C ATOM 896 CG ARG A 61 -9.452 -8.149 -7.413 1.00 0.00 C ATOM 897 CD ARG A 61 -9.997 -8.818 -6.149 1.00 0.00 C ATOM 898 NE ARG A 61 -9.127 -9.950 -5.761 1.00 0.00 N ATOM 899 CZ ARG A 61 -9.089 -10.485 -4.522 1.00 0.00 C ATOM 900 NH1 ARG A 61 -9.874 -9.993 -3.539 1.00 0.00 N ATOM 901 NH2 ARG A 61 -8.274 -11.495 -4.285 1.00 0.00 N ATOM 0 H ARG A 61 -8.138 -6.156 -9.373 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.869 -6.546 -10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.476 -7.508 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.848 -8.628 -8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.760 -8.824 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.887 -7.257 -7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.048 -8.093 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.013 -9.173 -6.324 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.518 -10.351 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.501 -9.212 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.839 -10.403 -2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.684 -11.861 -5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.234 -11.910 -3.354 1.00 0.00 H new ATOM 914 N ALA A 62 -10.208 -4.185 -9.169 1.00 0.00 N ATOM 915 CA ALA A 62 -10.278 -2.880 -8.534 1.00 0.00 C ATOM 916 C ALA A 62 -11.649 -2.711 -7.876 1.00 0.00 C ATOM 917 O ALA A 62 -11.858 -1.779 -7.101 1.00 0.00 O ATOM 918 CB ALA A 62 -9.992 -1.792 -9.572 1.00 0.00 C ATOM 0 H ALA A 62 -10.108 -4.161 -10.184 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.524 -2.792 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.044 -0.813 -9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.996 -1.940 -9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.732 -1.848 -10.371 1.00 0.00 H new ATOM 1041 N LEU A 71 -9.482 3.607 -7.693 1.00 0.00 N ATOM 1042 CA LEU A 71 -8.125 3.125 -7.502 1.00 0.00 C ATOM 1043 C LEU A 71 -7.241 4.279 -7.025 1.00 0.00 C ATOM 1044 O LEU A 71 -6.022 4.239 -7.184 1.00 0.00 O ATOM 1045 CB LEU A 71 -7.614 2.444 -8.774 1.00 0.00 C ATOM 1046 CG LEU A 71 -7.994 0.972 -8.945 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -7.402 0.400 -10.235 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -7.589 0.155 -7.717 1.00 0.00 C ATOM 0 HA LEU A 71 -8.098 2.360 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.989 2.998 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.527 2.523 -8.793 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.079 0.907 -9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.687 -0.648 -10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.782 0.961 -11.089 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.315 0.479 -10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.871 -0.888 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.511 0.223 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.097 0.547 -6.836 1.00 0.00 H new ATOM 1060 N LYS A 72 -7.890 5.281 -6.450 1.00 0.00 N ATOM 1061 CA LYS A 72 -7.178 6.444 -5.948 1.00 0.00 C ATOM 1062 C LYS A 72 -6.281 6.024 -4.781 1.00 0.00 C ATOM 1063 O LYS A 72 -5.123 6.432 -4.705 1.00 0.00 O ATOM 1064 CB LYS A 72 -8.160 7.563 -5.597 1.00 0.00 C ATOM 1065 CG LYS A 72 -7.449 8.917 -5.537 1.00 0.00 C ATOM 1066 CD LYS A 72 -7.189 9.462 -6.942 1.00 0.00 C ATOM 1067 CE LYS A 72 -5.688 9.553 -7.225 1.00 0.00 C ATOM 1068 NZ LYS A 72 -5.443 10.272 -8.496 1.00 0.00 N ATOM 0 H LYS A 72 -8.901 5.311 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.526 6.854 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.957 7.599 -6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.630 7.352 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.056 9.626 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.505 8.813 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.663 8.816 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.642 10.448 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.188 10.070 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.261 8.552 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.420 10.325 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.904 9.763 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.833 11.234 -8.432 1.00 0.00 H new ATOM 1081 N THR A 73 -6.851 5.214 -3.901 1.00 0.00 N ATOM 1082 CA THR A 73 -6.118 4.734 -2.742 1.00 0.00 C ATOM 1083 C THR A 73 -4.897 3.923 -3.181 1.00 0.00 C ATOM 1084 O THR A 73 -3.799 4.116 -2.660 1.00 0.00 O ATOM 1085 CB THR A 73 -7.089 3.943 -1.863 1.00 0.00 C ATOM 1086 OG1 THR A 73 -8.374 4.424 -2.245 1.00 0.00 O ATOM 1087 CG2 THR A 73 -6.976 4.316 -0.383 1.00 0.00 C ATOM 0 H THR A 73 -7.812 4.878 -3.967 1.00 0.00 H new ATOM 0 HA THR A 73 -5.724 5.562 -2.153 1.00 0.00 H new ATOM 0 HB THR A 73 -6.901 2.876 -1.984 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.815 3.761 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.686 3.726 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.964 4.112 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.197 5.376 -0.257 1.00 0.00 H new ATOM 1095 N TRP A 74 -5.129 3.034 -4.134 1.00 0.00 N ATOM 1096 CA TRP A 74 -4.062 2.193 -4.649 1.00 0.00 C ATOM 1097 C TRP A 74 -2.973 3.106 -5.216 1.00 0.00 C ATOM 1098 O TRP A 74 -1.784 2.820 -5.078 1.00 0.00 O ATOM 1099 CB TRP A 74 -4.598 1.193 -5.676 1.00 0.00 C ATOM 1100 CG TRP A 74 -3.509 0.388 -6.388 1.00 0.00 C ATOM 1101 CD1 TRP A 74 -2.710 -0.556 -5.872 1.00 0.00 C ATOM 1102 CD2 TRP A 74 -3.130 0.494 -7.776 1.00 0.00 C ATOM 1103 NE1 TRP A 74 -1.847 -1.063 -6.822 1.00 0.00 N ATOM 1104 CE2 TRP A 74 -2.111 -0.404 -8.017 1.00 0.00 C ATOM 1105 CE3 TRP A 74 -3.632 1.323 -8.796 1.00 0.00 C ATOM 1106 CZ2 TRP A 74 -1.506 -0.561 -9.270 1.00 0.00 C ATOM 1107 CZ3 TRP A 74 -3.017 1.154 -10.042 1.00 0.00 C ATOM 1108 CH2 TRP A 74 -1.990 0.254 -10.300 1.00 0.00 C ATOM 0 H TRP A 74 -6.041 2.877 -4.564 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.630 1.588 -3.852 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.277 0.503 -5.176 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.183 1.732 -6.421 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.738 -0.879 -4.842 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.145 -1.788 -6.674 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.429 2.033 -8.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.710 -1.272 -9.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.365 1.766 -10.861 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.567 0.184 -11.291 1.00 0.00 H new ATOM 1119 N GLY A 75 -3.417 4.185 -5.843 1.00 0.00 N ATOM 1120 CA GLY A 75 -2.495 5.141 -6.432 1.00 0.00 C ATOM 1121 C GLY A 75 -1.417 5.553 -5.427 1.00 0.00 C ATOM 1122 O GLY A 75 -0.231 5.565 -5.754 1.00 0.00 O ATOM 0 H GLY A 75 -4.403 4.419 -5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.027 4.704 -7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.043 6.022 -6.765 1.00 0.00 H new ATOM 1126 N LEU A 76 -1.867 5.881 -4.225 1.00 0.00 N ATOM 1127 CA LEU A 76 -0.956 6.292 -3.171 1.00 0.00 C ATOM 1128 C LEU A 76 -0.047 5.118 -2.802 1.00 0.00 C ATOM 1129 O LEU A 76 1.176 5.228 -2.878 1.00 0.00 O ATOM 1130 CB LEU A 76 -1.734 6.864 -1.984 1.00 0.00 C ATOM 1131 CG LEU A 76 -1.910 8.384 -1.967 1.00 0.00 C ATOM 1132 CD1 LEU A 76 -2.188 8.919 -3.374 1.00 0.00 C ATOM 1133 CD2 LEU A 76 -2.995 8.800 -0.971 1.00 0.00 C ATOM 0 H LEU A 76 -2.851 5.870 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.310 7.099 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.722 6.404 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.228 6.566 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.975 8.832 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.309 10.002 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.353 8.671 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.100 8.466 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.100 9.885 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.943 8.342 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.716 8.470 0.030 1.00 0.00 H new ATOM 1145 N VAL A 77 -0.679 4.022 -2.410 1.00 0.00 N ATOM 1146 CA VAL A 77 0.058 2.829 -2.029 1.00 0.00 C ATOM 1147 C VAL A 77 1.062 2.482 -3.129 1.00 0.00 C ATOM 1148 O VAL A 77 2.262 2.392 -2.874 1.00 0.00 O ATOM 1149 CB VAL A 77 -0.915 1.687 -1.726 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -0.922 1.354 -0.233 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -2.324 2.022 -2.220 1.00 0.00 C ATOM 0 H VAL A 77 -1.693 3.935 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 77 0.625 3.006 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.572 0.803 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.622 0.539 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.078 1.052 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.228 2.233 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.996 1.194 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.679 2.925 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.302 2.186 -3.297 1.00 0.00 H new ATOM 1161 N LEU A 78 0.535 2.297 -4.331 1.00 0.00 N ATOM 1162 CA LEU A 78 1.371 1.962 -5.471 1.00 0.00 C ATOM 1163 C LEU A 78 2.253 3.162 -5.821 1.00 0.00 C ATOM 1164 O LEU A 78 3.479 3.068 -5.781 1.00 0.00 O ATOM 1165 CB LEU A 78 0.513 1.468 -6.638 1.00 0.00 C ATOM 1166 CG LEU A 78 0.932 0.136 -7.262 1.00 0.00 C ATOM 1167 CD1 LEU A 78 2.299 0.253 -7.938 1.00 0.00 C ATOM 1168 CD2 LEU A 78 0.899 -0.989 -6.227 1.00 0.00 C ATOM 0 H LEU A 78 -0.461 2.373 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 78 2.038 1.136 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.517 1.377 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.521 2.230 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 78 0.210 -0.119 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.573 -0.708 -8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.253 1.007 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.046 0.543 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.201 -1.925 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.584 -0.754 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.112 -1.091 -5.833 1.00 0.00 H new ATOM 1180 N GLY A 79 1.596 4.261 -6.157 1.00 0.00 N ATOM 1181 CA GLY A 79 2.305 5.478 -6.514 1.00 0.00 C ATOM 1182 C GLY A 79 3.563 5.650 -5.660 1.00 0.00 C ATOM 1183 O GLY A 79 4.542 6.249 -6.104 1.00 0.00 O ATOM 0 H GLY A 79 0.579 4.335 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.578 5.448 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.649 6.338 -6.379 1.00 0.00 H new ATOM 1187 N ALA A 80 3.496 5.114 -4.450 1.00 0.00 N ATOM 1188 CA ALA A 80 4.617 5.200 -3.530 1.00 0.00 C ATOM 1189 C ALA A 80 5.723 4.249 -3.991 1.00 0.00 C ATOM 1190 O ALA A 80 6.884 4.644 -4.095 1.00 0.00 O ATOM 1191 CB ALA A 80 4.138 4.893 -2.110 1.00 0.00 C ATOM 0 H ALA A 80 2.682 4.618 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 80 5.031 6.208 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.979 4.958 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.374 5.615 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.718 3.888 -2.077 1.00 0.00 H new ATOM 1197 N LEU A 81 5.325 3.013 -4.254 1.00 0.00 N ATOM 1198 CA LEU A 81 6.268 2.002 -4.701 1.00 0.00 C ATOM 1199 C LEU A 81 7.027 2.523 -5.923 1.00 0.00 C ATOM 1200 O LEU A 81 8.244 2.369 -6.015 1.00 0.00 O ATOM 1201 CB LEU A 81 5.553 0.671 -4.943 1.00 0.00 C ATOM 1202 CG LEU A 81 6.193 -0.256 -5.977 1.00 0.00 C ATOM 1203 CD1 LEU A 81 7.407 -0.979 -5.389 1.00 0.00 C ATOM 1204 CD2 LEU A 81 5.165 -1.235 -6.547 1.00 0.00 C ATOM 0 H LEU A 81 4.362 2.689 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 81 7.008 1.803 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.491 0.137 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.531 0.882 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 81 6.551 0.354 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.843 -1.632 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.148 -0.246 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.095 -1.575 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.647 -1.882 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.755 -1.842 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.360 -0.679 -7.028 1.00 0.00 H new ATOM 1216 N LYS A 82 6.277 3.129 -6.831 1.00 0.00 N ATOM 1217 CA LYS A 82 6.863 3.674 -8.044 1.00 0.00 C ATOM 1218 C LYS A 82 7.694 4.910 -7.693 1.00 0.00 C ATOM 1219 O LYS A 82 8.611 5.275 -8.427 1.00 0.00 O ATOM 1220 CB LYS A 82 5.779 3.939 -9.091 1.00 0.00 C ATOM 1221 CG LYS A 82 5.612 2.738 -10.023 1.00 0.00 C ATOM 1222 CD LYS A 82 4.391 1.905 -9.630 1.00 0.00 C ATOM 1223 CE LYS A 82 4.812 0.546 -9.066 1.00 0.00 C ATOM 1224 NZ LYS A 82 6.081 0.100 -9.684 1.00 0.00 N ATOM 0 H LYS A 82 5.268 3.255 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 82 7.541 2.951 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.833 4.152 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.039 4.823 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.505 3.083 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.507 2.117 -9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.802 2.444 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.751 1.759 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.932 0.615 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.031 -0.190 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.182 -0.928 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.074 0.333 -10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.880 0.581 -9.223 1.00 0.00 H new ATOM 1237 N ALA A 83 7.344 5.520 -6.570 1.00 0.00 N ATOM 1238 CA ALA A 83 8.047 6.706 -6.113 1.00 0.00 C ATOM 1239 C ALA A 83 9.454 6.317 -5.656 1.00 0.00 C ATOM 1240 O ALA A 83 10.402 7.081 -5.831 1.00 0.00 O ATOM 1241 CB ALA A 83 7.240 7.381 -5.002 1.00 0.00 C ATOM 0 H ALA A 83 6.583 5.215 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 83 8.152 7.426 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.767 8.271 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.260 7.665 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.117 6.688 -4.169 1.00 0.00 H new ATOM 1247 N ALA A 84 9.546 5.127 -5.079 1.00 0.00 N ATOM 1248 CA ALA A 84 10.822 4.627 -4.596 1.00 0.00 C ATOM 1249 C ALA A 84 11.763 4.413 -5.783 1.00 0.00 C ATOM 1250 O ALA A 84 12.901 4.882 -5.771 1.00 0.00 O ATOM 1251 CB ALA A 84 10.596 3.344 -3.793 1.00 0.00 C ATOM 0 H ALA A 84 8.758 4.495 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 84 11.291 5.351 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.553 2.968 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.944 3.555 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.130 2.593 -4.431 1.00 0.00 H new ATOM 1257 N ARG A 85 11.255 3.704 -6.781 1.00 0.00 N ATOM 1258 CA ARG A 85 12.036 3.422 -7.973 1.00 0.00 C ATOM 1259 C ARG A 85 12.434 4.726 -8.668 1.00 0.00 C ATOM 1260 O ARG A 85 13.459 4.786 -9.345 1.00 0.00 O ATOM 1261 CB ARG A 85 11.250 2.549 -8.953 1.00 0.00 C ATOM 1262 CG ARG A 85 11.677 1.084 -8.846 1.00 0.00 C ATOM 1263 CD ARG A 85 10.790 0.190 -9.714 1.00 0.00 C ATOM 1264 NE ARG A 85 11.269 0.209 -11.114 1.00 0.00 N ATOM 1265 CZ ARG A 85 12.316 -0.514 -11.566 1.00 0.00 C ATOM 1266 NH1 ARG A 85 13.003 -1.320 -10.730 1.00 0.00 N ATOM 1267 NH2 ARG A 85 12.657 -0.420 -12.838 1.00 0.00 N ATOM 0 H ARG A 85 10.312 3.316 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 85 12.932 2.884 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.183 2.636 -8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.409 2.905 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.717 0.981 -9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.620 0.760 -7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.802 -0.830 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.757 0.535 -9.670 1.00 0.00 H new ATOM 0 HE ARG A 85 10.777 0.806 -11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.733 -1.386 -9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.793 -1.863 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.132 0.192 -13.463 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.445 -0.959 -13.196 1.00 0.00 H new ATOM 1280 N GLU A 86 11.601 5.739 -8.476 1.00 0.00 N ATOM 1281 CA GLU A 86 11.852 7.038 -9.076 1.00 0.00 C ATOM 1282 C GLU A 86 12.382 8.015 -8.024 1.00 0.00 C ATOM 1283 O GLU A 86 12.447 9.219 -8.267 1.00 0.00 O ATOM 1284 CB GLU A 86 10.591 7.586 -9.747 1.00 0.00 C ATOM 1285 CG GLU A 86 9.743 8.381 -8.752 1.00 0.00 C ATOM 1286 CD GLU A 86 9.999 9.884 -8.892 1.00 0.00 C ATOM 1287 OE1 GLU A 86 10.015 10.408 -10.016 1.00 0.00 O ATOM 1288 OE2 GLU A 86 10.184 10.511 -7.780 1.00 0.00 O ATOM 0 H GLU A 86 10.752 5.686 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 86 12.612 6.918 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.869 8.225 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.004 6.763 -10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.687 8.171 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.974 8.062 -7.736 1.00 0.00 H new ATOM 1296 N GLU A 87 12.748 7.460 -6.878 1.00 0.00 N ATOM 1297 CA GLU A 87 13.270 8.266 -5.789 1.00 0.00 C ATOM 1298 C GLU A 87 13.629 7.379 -4.595 1.00 0.00 C ATOM 1299 O GLU A 87 14.804 7.198 -4.282 1.00 0.00 O ATOM 1300 CB GLU A 87 12.272 9.353 -5.384 1.00 0.00 C ATOM 1301 CG GLU A 87 12.834 10.221 -4.256 1.00 0.00 C ATOM 1302 CD GLU A 87 13.045 11.662 -4.725 1.00 0.00 C ATOM 1303 OE1 GLU A 87 14.076 11.967 -5.343 1.00 0.00 O ATOM 1304 OE2 GLU A 87 12.091 12.477 -4.428 1.00 0.00 O ATOM 0 H GLU A 87 12.693 6.461 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 87 14.178 8.762 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.039 9.977 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.338 8.892 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.150 10.208 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.780 9.805 -3.910 1.00 0.00 H new