USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 781 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 Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= -0.232 (180deg=-0.39) USER MOD Single : A 24 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.0058) USER MOD Single : A 26 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= 0.0109 (180deg=-0.645) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0461 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 40 SER OG : rot 78:sc= 0.193 USER MOD Single : A 44 THR OG1 : rot -86:sc= 0.292 USER MOD Single : A 48 SER OG : rot 180:sc= -0.503 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.656 F(o=-2.9!,f=-0.66) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 74:sc= 0.145 USER MOD Single : A 87 GLN : amide:sc= -5.42 K(o=-5.4,f=-11!) USER MOD Single : A 92 SER OG : rot 85:sc= 0.00112 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 66:sc= 1.19 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 147:sc= -0.577 (180deg=-1.7!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A 104 SER OG : rot 180:sc= 0.113 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -9.396 -16.216 -7.918 1.00 0.00 N ATOM 2 CA LYS A 17 -9.438 -14.784 -8.193 1.00 0.00 C ATOM 3 C LYS A 17 -9.072 -14.496 -9.645 1.00 0.00 C ATOM 4 O LYS A 17 -7.911 -14.237 -9.962 1.00 0.00 O ATOM 5 CB LYS A 17 -8.486 -14.035 -7.258 1.00 0.00 C ATOM 6 CG LYS A 17 -8.595 -14.470 -5.804 1.00 0.00 C ATOM 7 CD LYS A 17 -8.620 -13.275 -4.863 1.00 0.00 C ATOM 8 CE LYS A 17 -10.031 -12.972 -4.383 1.00 0.00 C ATOM 9 NZ LYS A 17 -10.031 -12.160 -3.136 1.00 0.00 N ATOM 0 HA LYS A 17 -10.457 -14.437 -8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.462 -14.186 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.690 -12.966 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.501 -15.061 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.753 -15.115 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.977 -13.473 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.212 -12.401 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.573 -12.438 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.563 -13.907 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.011 -11.975 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.536 -12.680 -2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.546 -11.257 -3.310 1.00 0.00 H new ATOM 23 N ARG A 18 -10.068 -14.544 -10.523 1.00 0.00 N ATOM 24 CA ARG A 18 -9.851 -14.289 -11.942 1.00 0.00 C ATOM 25 C ARG A 18 -10.363 -12.906 -12.330 1.00 0.00 C ATOM 26 O ARG A 18 -10.820 -12.694 -13.454 1.00 0.00 O ATOM 27 CB ARG A 18 -10.547 -15.358 -12.786 1.00 0.00 C ATOM 28 CG ARG A 18 -9.874 -16.719 -12.717 1.00 0.00 C ATOM 29 CD ARG A 18 -8.672 -16.793 -13.645 1.00 0.00 C ATOM 30 NE ARG A 18 -7.589 -17.591 -13.075 1.00 0.00 N ATOM 31 CZ ARG A 18 -7.572 -18.923 -13.072 1.00 0.00 C ATOM 32 NH1 ARG A 18 -8.573 -19.608 -13.606 1.00 0.00 N ATOM 33 NH2 ARG A 18 -6.546 -19.571 -12.533 1.00 0.00 N ATOM 0 H ARG A 18 -11.034 -14.757 -10.276 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.778 -14.327 -12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.581 -15.456 -12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.576 -15.028 -13.824 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.558 -16.918 -11.693 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.591 -17.495 -12.986 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.976 -17.224 -14.599 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.310 -15.786 -13.851 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.800 -17.100 -12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.363 -19.115 -14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.553 -20.628 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.772 -19.049 -12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.532 -20.591 -12.530 1.00 0.00 H new ATOM 47 N VAL A 19 -10.285 -11.966 -11.392 1.00 0.00 N ATOM 48 CA VAL A 19 -10.742 -10.604 -11.636 1.00 0.00 C ATOM 49 C VAL A 19 -9.839 -9.589 -10.941 1.00 0.00 C ATOM 50 O VAL A 19 -9.110 -9.929 -10.009 1.00 0.00 O ATOM 51 CB VAL A 19 -12.187 -10.404 -11.146 1.00 0.00 C ATOM 52 CG1 VAL A 19 -12.731 -9.062 -11.611 1.00 0.00 C ATOM 53 CG2 VAL A 19 -13.077 -11.542 -11.624 1.00 0.00 C ATOM 0 H VAL A 19 -9.910 -12.124 -10.457 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.703 -10.444 -12.714 1.00 0.00 H new ATOM 0 HB VAL A 19 -12.183 -10.409 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.754 -8.940 -11.254 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.110 -8.260 -11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.720 -9.023 -12.700 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -14.095 -11.383 -11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.075 -11.572 -12.714 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.700 -12.487 -11.234 1.00 0.00 H new ATOM 63 N GLY A 20 -9.895 -8.343 -11.398 1.00 0.00 N ATOM 64 CA GLY A 20 -9.081 -7.297 -10.807 1.00 0.00 C ATOM 65 C GLY A 20 -8.221 -6.579 -11.828 1.00 0.00 C ATOM 66 O GLY A 20 -8.007 -7.080 -12.933 1.00 0.00 O ATOM 0 H GLY A 20 -10.490 -8.038 -12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.729 -6.574 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.441 -7.731 -10.039 1.00 0.00 H new ATOM 70 N LYS A 21 -7.724 -5.405 -11.457 1.00 0.00 N ATOM 71 CA LYS A 21 -6.879 -4.612 -12.345 1.00 0.00 C ATOM 72 C LYS A 21 -5.913 -3.749 -11.539 1.00 0.00 C ATOM 73 O LYS A 21 -6.202 -3.373 -10.404 1.00 0.00 O ATOM 74 CB LYS A 21 -7.734 -3.729 -13.261 1.00 0.00 C ATOM 75 CG LYS A 21 -9.018 -3.225 -12.619 1.00 0.00 C ATOM 76 CD LYS A 21 -8.754 -2.050 -11.690 1.00 0.00 C ATOM 77 CE LYS A 21 -9.801 -0.961 -11.858 1.00 0.00 C ATOM 78 NZ LYS A 21 -10.241 -0.405 -10.547 1.00 0.00 N ATOM 0 H LYS A 21 -7.891 -4.979 -10.545 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.301 -5.299 -12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.140 -2.873 -13.580 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.987 -4.293 -14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.721 -2.925 -13.396 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.488 -4.034 -12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.750 -2.396 -10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.765 -1.640 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.395 -0.159 -12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.663 -1.365 -12.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.099 0.167 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.445 -1.185 -9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.486 0.192 -10.152 1.00 0.00 H new ATOM 92 N ARG A 22 -4.763 -3.446 -12.132 1.00 0.00 N ATOM 93 CA ARG A 22 -3.753 -2.633 -11.464 1.00 0.00 C ATOM 94 C ARG A 22 -3.900 -1.159 -11.825 1.00 0.00 C ATOM 95 O ARG A 22 -4.330 -0.819 -12.928 1.00 0.00 O ATOM 96 CB ARG A 22 -2.351 -3.123 -11.835 1.00 0.00 C ATOM 97 CG ARG A 22 -2.023 -4.501 -11.286 1.00 0.00 C ATOM 98 CD ARG A 22 -0.717 -5.033 -11.853 1.00 0.00 C ATOM 99 NE ARG A 22 -0.939 -6.020 -12.908 1.00 0.00 N ATOM 100 CZ ARG A 22 -0.018 -6.892 -13.312 1.00 0.00 C ATOM 101 NH1 ARG A 22 1.185 -6.906 -12.752 1.00 0.00 N ATOM 102 NH2 ARG A 22 -0.302 -7.755 -14.278 1.00 0.00 N ATOM 0 H ARG A 22 -4.507 -3.750 -13.071 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.899 -2.735 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.257 -3.142 -12.921 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.616 -2.409 -11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.956 -4.454 -10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.832 -5.191 -11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.130 -4.205 -12.249 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.131 -5.484 -11.052 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.853 -6.042 -13.361 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.409 -6.246 -12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.886 -7.577 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.226 -7.750 -14.711 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.403 -8.424 -14.588 1.00 0.00 H new ATOM 116 N LEU A 23 -3.540 -0.287 -10.888 1.00 0.00 N ATOM 117 CA LEU A 23 -3.631 1.152 -11.106 1.00 0.00 C ATOM 118 C LEU A 23 -2.341 1.851 -10.687 1.00 0.00 C ATOM 119 O LEU A 23 -1.588 1.344 -9.856 1.00 0.00 O ATOM 120 CB LEU A 23 -4.812 1.746 -10.331 1.00 0.00 C ATOM 121 CG LEU A 23 -5.962 0.779 -10.054 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.846 1.305 -8.935 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.777 0.546 -11.318 1.00 0.00 C ATOM 0 H LEU A 23 -3.182 -0.552 -9.970 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.788 1.314 -12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.445 2.130 -9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.201 2.597 -10.890 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.541 -0.175 -9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.659 0.602 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.254 1.419 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.260 2.272 -9.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.592 -0.145 -11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.187 1.494 -11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.136 0.122 -12.091 1.00 0.00 H new ATOM 135 N ASN A 24 -2.100 3.022 -11.265 1.00 0.00 N ATOM 136 CA ASN A 24 -0.909 3.802 -10.950 1.00 0.00 C ATOM 137 C ASN A 24 -1.294 5.078 -10.208 1.00 0.00 C ATOM 138 O ASN A 24 -2.051 5.899 -10.724 1.00 0.00 O ATOM 139 CB ASN A 24 -0.146 4.150 -12.230 1.00 0.00 C ATOM 140 CG ASN A 24 1.259 4.646 -11.950 1.00 0.00 C ATOM 141 OD1 ASN A 24 1.658 5.715 -12.413 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.020 3.869 -11.186 1.00 0.00 N ATOM 0 H ASN A 24 -2.715 3.453 -11.956 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.263 3.203 -10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.096 3.270 -12.871 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.695 4.914 -12.780 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.974 4.151 -10.963 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.650 2.991 -10.823 1.00 0.00 H new ATOM 149 N ILE A 25 -0.778 5.235 -8.994 1.00 0.00 N ATOM 150 CA ILE A 25 -1.084 6.409 -8.188 1.00 0.00 C ATOM 151 C ILE A 25 0.165 6.975 -7.526 1.00 0.00 C ATOM 152 O ILE A 25 0.759 6.344 -6.653 1.00 0.00 O ATOM 153 CB ILE A 25 -2.123 6.083 -7.096 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.388 5.485 -7.722 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.465 7.328 -6.289 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.654 4.059 -7.298 1.00 0.00 C ATOM 0 H ILE A 25 -0.149 4.567 -8.549 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.496 7.154 -8.868 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.689 5.346 -6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.245 6.102 -7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.299 5.522 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.200 7.076 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.563 7.712 -5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.878 8.089 -6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.564 3.700 -7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.815 3.429 -7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.775 4.018 -6.216 1.00 0.00 H new ATOM 168 N GLN A 26 0.550 8.179 -7.936 1.00 0.00 N ATOM 169 CA GLN A 26 1.718 8.841 -7.369 1.00 0.00 C ATOM 170 C GLN A 26 1.284 10.002 -6.484 1.00 0.00 C ATOM 171 O GLN A 26 0.408 10.783 -6.855 1.00 0.00 O ATOM 172 CB GLN A 26 2.653 9.330 -8.478 1.00 0.00 C ATOM 173 CG GLN A 26 2.005 10.313 -9.434 1.00 0.00 C ATOM 174 CD GLN A 26 1.237 9.626 -10.548 1.00 0.00 C ATOM 175 OE1 GLN A 26 0.042 9.859 -10.729 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.922 8.771 -11.299 1.00 0.00 N ATOM 0 H GLN A 26 0.070 8.716 -8.659 1.00 0.00 H new ATOM 0 HA GLN A 26 2.263 8.121 -6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.526 9.800 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.012 8.470 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.328 10.962 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.774 10.952 -9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.912 8.608 -11.113 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.458 8.277 -12.062 1.00 0.00 H new ATOM 185 N LEU A 27 1.885 10.100 -5.304 1.00 0.00 N ATOM 186 CA LEU A 27 1.536 11.154 -4.360 1.00 0.00 C ATOM 187 C LEU A 27 2.684 12.130 -4.144 1.00 0.00 C ATOM 188 O LEU A 27 3.854 11.775 -4.267 1.00 0.00 O ATOM 189 CB LEU A 27 1.125 10.543 -3.021 1.00 0.00 C ATOM 190 CG LEU A 27 0.150 9.372 -3.125 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.198 8.839 -1.744 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.107 9.790 -3.872 1.00 0.00 C ATOM 0 H LEU A 27 2.614 9.465 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 27 0.701 11.709 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.022 10.206 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.673 11.321 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 27 0.633 8.572 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.894 8.005 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.710 8.498 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.660 9.631 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.790 8.943 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.592 10.608 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.841 10.119 -4.877 1.00 0.00 H new ATOM 204 N LYS A 28 2.328 13.365 -3.810 1.00 0.00 N ATOM 205 CA LYS A 28 3.308 14.411 -3.559 1.00 0.00 C ATOM 206 C LYS A 28 3.629 14.492 -2.070 1.00 0.00 C ATOM 207 O LYS A 28 2.775 14.852 -1.262 1.00 0.00 O ATOM 208 CB LYS A 28 2.777 15.759 -4.050 1.00 0.00 C ATOM 209 CG LYS A 28 3.844 16.834 -4.138 1.00 0.00 C ATOM 210 CD LYS A 28 5.024 16.369 -4.972 1.00 0.00 C ATOM 211 CE LYS A 28 5.969 17.515 -5.291 1.00 0.00 C ATOM 212 NZ LYS A 28 5.618 18.186 -6.573 1.00 0.00 N ATOM 0 H LYS A 28 1.359 13.666 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 28 4.221 14.168 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.324 15.626 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.987 16.096 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.419 17.737 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.184 17.096 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.565 15.589 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.662 15.926 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.942 18.244 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.990 17.138 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.287 18.962 -6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.669 17.497 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.653 18.568 -6.512 1.00 0.00 H new ATOM 226 N LYS A 29 4.862 14.149 -1.713 1.00 0.00 N ATOM 227 CA LYS A 29 5.288 14.180 -0.318 1.00 0.00 C ATOM 228 C LYS A 29 4.982 15.529 0.326 1.00 0.00 C ATOM 229 O LYS A 29 5.357 16.578 -0.196 1.00 0.00 O ATOM 230 CB LYS A 29 6.784 13.879 -0.213 1.00 0.00 C ATOM 231 CG LYS A 29 7.088 12.423 0.095 1.00 0.00 C ATOM 232 CD LYS A 29 7.399 12.217 1.570 1.00 0.00 C ATOM 233 CE LYS A 29 6.206 12.561 2.450 1.00 0.00 C ATOM 234 NZ LYS A 29 5.310 11.389 2.657 1.00 0.00 N ATOM 0 H LYS A 29 5.583 13.847 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 29 4.729 13.413 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.268 14.153 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.219 14.506 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.236 11.805 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.935 12.092 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.689 11.180 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.250 12.836 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.560 12.922 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.641 13.374 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.324 11.672 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.572 10.630 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.407 11.046 3.634 1.00 0.00 H new ATOM 248 N GLY A 30 4.293 15.491 1.463 1.00 0.00 N ATOM 249 CA GLY A 30 3.944 16.714 2.161 1.00 0.00 C ATOM 250 C GLY A 30 3.856 16.519 3.663 1.00 0.00 C ATOM 251 O GLY A 30 4.754 15.939 4.274 1.00 0.00 O ATOM 0 H GLY A 30 3.970 14.634 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.687 17.480 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.988 17.081 1.789 1.00 0.00 H new ATOM 255 N THR A 31 2.772 17.003 4.258 1.00 0.00 N ATOM 256 CA THR A 31 2.570 16.878 5.698 1.00 0.00 C ATOM 257 C THR A 31 1.700 15.670 6.024 1.00 0.00 C ATOM 258 O THR A 31 0.914 15.214 5.194 1.00 0.00 O ATOM 259 CB THR A 31 1.927 18.150 6.255 1.00 0.00 C ATOM 260 OG1 THR A 31 1.083 18.750 5.289 1.00 0.00 O ATOM 261 CG2 THR A 31 2.936 19.188 6.693 1.00 0.00 C ATOM 0 H THR A 31 2.019 17.485 3.767 1.00 0.00 H new ATOM 0 HA THR A 31 3.545 16.736 6.165 1.00 0.00 H new ATOM 0 HB THR A 31 1.360 17.828 7.128 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.680 19.561 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.413 20.064 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.570 18.771 7.476 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.553 19.478 5.842 1.00 0.00 H new ATOM 269 N GLU A 32 1.846 15.154 7.241 1.00 0.00 N ATOM 270 CA GLU A 32 1.074 13.997 7.680 1.00 0.00 C ATOM 271 C GLU A 32 1.345 12.791 6.787 1.00 0.00 C ATOM 272 O GLU A 32 0.431 12.039 6.445 1.00 0.00 O ATOM 273 CB GLU A 32 -0.421 14.327 7.678 1.00 0.00 C ATOM 274 CG GLU A 32 -0.923 14.882 9.001 1.00 0.00 C ATOM 275 CD GLU A 32 -1.459 13.801 9.921 1.00 0.00 C ATOM 276 OE1 GLU A 32 -1.065 12.627 9.750 1.00 0.00 O ATOM 277 OE2 GLU A 32 -2.273 14.128 10.810 1.00 0.00 O ATOM 0 H GLU A 32 2.492 15.519 7.941 1.00 0.00 H new ATOM 0 HA GLU A 32 1.382 13.748 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.624 15.052 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.983 13.425 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.111 15.410 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.708 15.613 8.810 1.00 0.00 H new ATOM 284 N GLY A 33 2.606 12.610 6.414 1.00 0.00 N ATOM 285 CA GLY A 33 2.976 11.493 5.564 1.00 0.00 C ATOM 286 C GLY A 33 2.283 11.532 4.216 1.00 0.00 C ATOM 287 O GLY A 33 2.386 12.517 3.486 1.00 0.00 O ATOM 0 H GLY A 33 3.380 13.217 6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.056 11.498 5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.728 10.559 6.069 1.00 0.00 H new ATOM 291 N LEU A 34 1.580 10.454 3.884 1.00 0.00 N ATOM 292 CA LEU A 34 0.870 10.366 2.612 1.00 0.00 C ATOM 293 C LEU A 34 -0.643 10.334 2.821 1.00 0.00 C ATOM 294 O LEU A 34 -1.408 10.652 1.912 1.00 0.00 O ATOM 295 CB LEU A 34 1.316 9.122 1.843 1.00 0.00 C ATOM 296 CG LEU A 34 2.654 9.258 1.113 1.00 0.00 C ATOM 297 CD1 LEU A 34 2.945 8.009 0.298 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.650 10.491 0.221 1.00 0.00 C ATOM 0 H LEU A 34 1.486 9.630 4.477 1.00 0.00 H new ATOM 0 HA LEU A 34 1.114 11.256 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.383 8.287 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.546 8.868 1.115 1.00 0.00 H new ATOM 0 HG LEU A 34 3.443 9.374 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.900 8.123 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.990 7.145 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.154 7.862 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.609 10.573 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.852 10.404 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.487 11.380 0.830 1.00 0.00 H new ATOM 310 N GLY A 35 -1.067 9.948 4.022 1.00 0.00 N ATOM 311 CA GLY A 35 -2.486 9.886 4.319 1.00 0.00 C ATOM 312 C GLY A 35 -3.087 8.530 4.017 1.00 0.00 C ATOM 313 O GLY A 35 -4.304 8.403 3.881 1.00 0.00 O ATOM 0 H GLY A 35 -0.455 9.678 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.643 10.123 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.008 10.647 3.740 1.00 0.00 H new ATOM 317 N PHE A 36 -2.239 7.514 3.912 1.00 0.00 N ATOM 318 CA PHE A 36 -2.709 6.168 3.624 1.00 0.00 C ATOM 319 C PHE A 36 -1.958 5.136 4.458 1.00 0.00 C ATOM 320 O PHE A 36 -0.727 5.143 4.514 1.00 0.00 O ATOM 321 CB PHE A 36 -2.565 5.861 2.127 1.00 0.00 C ATOM 322 CG PHE A 36 -1.192 5.398 1.721 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.070 6.158 2.018 1.00 0.00 C ATOM 324 CD2 PHE A 36 -1.023 4.201 1.042 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.190 5.733 1.646 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.235 3.770 0.669 1.00 0.00 C ATOM 327 CZ PHE A 36 1.343 4.537 0.971 1.00 0.00 C ATOM 0 H PHE A 36 -1.228 7.597 4.022 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.764 6.112 3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.290 5.095 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.817 6.756 1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.183 7.093 2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.886 3.598 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.055 6.335 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.352 2.835 0.142 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.328 4.203 0.680 1.00 0.00 H new ATOM 337 N SER A 37 -2.706 4.242 5.092 1.00 0.00 N ATOM 338 CA SER A 37 -2.115 3.194 5.909 1.00 0.00 C ATOM 339 C SER A 37 -2.215 1.859 5.185 1.00 0.00 C ATOM 340 O SER A 37 -3.259 1.526 4.625 1.00 0.00 O ATOM 341 CB SER A 37 -2.817 3.112 7.267 1.00 0.00 C ATOM 342 OG SER A 37 -1.888 2.862 8.308 1.00 0.00 O ATOM 0 H SER A 37 -3.725 4.223 5.055 1.00 0.00 H new ATOM 0 HA SER A 37 -1.065 3.431 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.345 4.045 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.566 2.320 7.246 1.00 0.00 H new ATOM 0 HG SER A 37 -2.361 2.816 9.165 1.00 0.00 H new ATOM 348 N ILE A 38 -1.124 1.105 5.178 1.00 0.00 N ATOM 349 CA ILE A 38 -1.105 -0.181 4.496 1.00 0.00 C ATOM 350 C ILE A 38 -0.948 -1.341 5.462 1.00 0.00 C ATOM 351 O ILE A 38 -0.176 -1.277 6.420 1.00 0.00 O ATOM 352 CB ILE A 38 0.029 -0.253 3.460 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.357 0.139 4.103 1.00 0.00 C ATOM 354 CG2 ILE A 38 -0.286 0.644 2.275 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.552 -0.060 3.196 1.00 0.00 C ATOM 0 H ILE A 38 -0.247 1.359 5.633 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.069 -0.265 3.994 1.00 0.00 H new ATOM 0 HB ILE A 38 0.115 -1.278 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.310 1.186 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.499 -0.448 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.524 0.585 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.216 0.318 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.392 1.674 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.460 0.239 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.625 -1.111 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.433 0.548 2.299 1.00 0.00 H new ATOM 367 N THR A 39 -1.676 -2.410 5.182 1.00 0.00 N ATOM 368 CA THR A 39 -1.623 -3.616 5.998 1.00 0.00 C ATOM 369 C THR A 39 -0.711 -4.650 5.345 1.00 0.00 C ATOM 370 O THR A 39 -0.285 -4.477 4.203 1.00 0.00 O ATOM 371 CB THR A 39 -3.022 -4.203 6.195 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.944 -5.543 6.650 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.863 -4.196 4.936 1.00 0.00 C ATOM 0 H THR A 39 -2.316 -2.468 4.390 1.00 0.00 H new ATOM 0 HA THR A 39 -1.221 -3.350 6.976 1.00 0.00 H new ATOM 0 HB THR A 39 -3.500 -3.559 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.848 -5.900 6.772 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.841 -4.626 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.986 -3.171 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.368 -4.786 4.164 1.00 0.00 H new ATOM 381 N SER A 40 -0.408 -5.718 6.071 1.00 0.00 N ATOM 382 CA SER A 40 0.460 -6.767 5.547 1.00 0.00 C ATOM 383 C SER A 40 -0.151 -8.148 5.754 1.00 0.00 C ATOM 384 O SER A 40 -0.562 -8.497 6.861 1.00 0.00 O ATOM 385 CB SER A 40 1.835 -6.701 6.216 1.00 0.00 C ATOM 386 OG SER A 40 1.816 -7.337 7.483 1.00 0.00 O ATOM 0 H SER A 40 -0.747 -5.881 7.019 1.00 0.00 H new ATOM 0 HA SER A 40 0.572 -6.602 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.577 -7.179 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.137 -5.660 6.332 1.00 0.00 H new ATOM 0 HG SER A 40 1.858 -8.309 7.362 1.00 0.00 H new ATOM 392 N ARG A 41 -0.204 -8.931 4.681 1.00 0.00 N ATOM 393 CA ARG A 41 -0.760 -10.277 4.746 1.00 0.00 C ATOM 394 C ARG A 41 0.061 -11.159 5.684 1.00 0.00 C ATOM 395 O ARG A 41 -0.464 -12.091 6.293 1.00 0.00 O ATOM 396 CB ARG A 41 -0.806 -10.900 3.352 1.00 0.00 C ATOM 397 CG ARG A 41 -2.079 -11.684 3.075 1.00 0.00 C ATOM 398 CD ARG A 41 -2.925 -11.020 2.000 1.00 0.00 C ATOM 399 NE ARG A 41 -2.943 -11.796 0.763 1.00 0.00 N ATOM 400 CZ ARG A 41 -3.729 -12.853 0.560 1.00 0.00 C ATOM 401 NH1 ARG A 41 -4.563 -13.259 1.509 1.00 0.00 N ATOM 402 NH2 ARG A 41 -3.680 -13.502 -0.593 1.00 0.00 N ATOM 0 H ARG A 41 0.131 -8.657 3.757 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.775 -10.206 5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.707 -10.110 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.052 -11.562 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.822 -12.696 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.660 -11.771 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.944 -10.896 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.536 -10.022 1.797 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.317 -11.512 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.604 -12.762 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.163 -14.068 1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.041 -13.193 -1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.281 -14.311 -0.749 1.00 0.00 H new ATOM 416 N ASP A 42 1.351 -10.856 5.793 1.00 0.00 N ATOM 417 CA ASP A 42 2.247 -11.619 6.655 1.00 0.00 C ATOM 418 C ASP A 42 2.358 -13.065 6.180 1.00 0.00 C ATOM 419 O ASP A 42 2.104 -14.002 6.940 1.00 0.00 O ATOM 420 CB ASP A 42 1.757 -11.575 8.105 1.00 0.00 C ATOM 421 CG ASP A 42 2.346 -10.411 8.878 1.00 0.00 C ATOM 422 OD1 ASP A 42 3.508 -10.522 9.322 1.00 0.00 O ATOM 423 OD2 ASP A 42 1.645 -9.390 9.038 1.00 0.00 O ATOM 0 H ASP A 42 1.799 -10.087 5.295 1.00 0.00 H new ATOM 0 HA ASP A 42 3.236 -11.164 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.669 -11.502 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.019 -12.508 8.603 1.00 0.00 H new ATOM 428 N VAL A 43 2.738 -13.239 4.919 1.00 0.00 N ATOM 429 CA VAL A 43 2.884 -14.569 4.340 1.00 0.00 C ATOM 430 C VAL A 43 4.176 -15.230 4.804 1.00 0.00 C ATOM 431 O VAL A 43 4.156 -16.182 5.585 1.00 0.00 O ATOM 432 CB VAL A 43 2.873 -14.514 2.799 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.975 -15.913 2.208 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.622 -13.809 2.301 1.00 0.00 C ATOM 0 H VAL A 43 2.951 -12.475 4.278 1.00 0.00 H new ATOM 0 HA VAL A 43 2.034 -15.159 4.682 1.00 0.00 H new ATOM 0 HB VAL A 43 3.742 -13.944 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.965 -15.850 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.904 -16.380 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.129 -16.513 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.631 -13.779 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.739 -14.350 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.598 -12.792 2.692 1.00 0.00 H new ATOM 444 N THR A 44 5.296 -14.720 4.311 1.00 0.00 N ATOM 445 CA THR A 44 6.603 -15.257 4.663 1.00 0.00 C ATOM 446 C THR A 44 7.311 -14.353 5.668 1.00 0.00 C ATOM 447 O THR A 44 7.196 -13.129 5.606 1.00 0.00 O ATOM 448 CB THR A 44 7.456 -15.411 3.407 1.00 0.00 C ATOM 449 OG1 THR A 44 7.179 -14.374 2.482 1.00 0.00 O ATOM 450 CG2 THR A 44 7.244 -16.730 2.695 1.00 0.00 C ATOM 0 H THR A 44 5.325 -13.932 3.664 1.00 0.00 H new ATOM 0 HA THR A 44 6.461 -16.234 5.124 1.00 0.00 H new ATOM 0 HB THR A 44 8.489 -15.367 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.414 -14.629 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.881 -16.773 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.498 -17.551 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.200 -16.817 2.394 1.00 0.00 H new ATOM 458 N ILE A 45 8.040 -14.966 6.596 1.00 0.00 N ATOM 459 CA ILE A 45 8.766 -14.219 7.617 1.00 0.00 C ATOM 460 C ILE A 45 9.713 -13.201 6.993 1.00 0.00 C ATOM 461 O ILE A 45 9.950 -12.131 7.555 1.00 0.00 O ATOM 462 CB ILE A 45 9.570 -15.161 8.530 1.00 0.00 C ATOM 463 CG1 ILE A 45 8.703 -16.338 8.971 1.00 0.00 C ATOM 464 CG2 ILE A 45 10.101 -14.402 9.738 1.00 0.00 C ATOM 465 CD1 ILE A 45 9.146 -17.665 8.392 1.00 0.00 C ATOM 0 H ILE A 45 8.143 -15.979 6.662 1.00 0.00 H new ATOM 0 HA ILE A 45 8.020 -13.692 8.213 1.00 0.00 H new ATOM 0 HB ILE A 45 10.420 -15.551 7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.718 -16.402 10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.671 -16.149 8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.668 -15.082 10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.750 -13.593 9.403 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.266 -13.987 10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.485 -18.456 8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.104 -17.619 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.168 -17.877 8.707 1.00 0.00 H new ATOM 477 N GLY A 46 10.256 -13.542 5.829 1.00 0.00 N ATOM 478 CA GLY A 46 11.173 -12.648 5.146 1.00 0.00 C ATOM 479 C GLY A 46 11.307 -12.971 3.671 1.00 0.00 C ATOM 480 O GLY A 46 12.372 -12.787 3.082 1.00 0.00 O ATOM 0 H GLY A 46 10.077 -14.422 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.827 -11.621 5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.153 -12.708 5.618 1.00 0.00 H new ATOM 484 N GLY A 47 10.222 -13.455 3.073 1.00 0.00 N ATOM 485 CA GLY A 47 10.243 -13.796 1.663 1.00 0.00 C ATOM 486 C GLY A 47 9.523 -12.774 0.807 1.00 0.00 C ATOM 487 O GLY A 47 10.118 -11.787 0.375 1.00 0.00 O ATOM 0 H GLY A 47 9.330 -13.617 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.277 -13.881 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.781 -14.773 1.522 1.00 0.00 H new ATOM 491 N SER A 48 8.238 -13.010 0.560 1.00 0.00 N ATOM 492 CA SER A 48 7.439 -12.101 -0.251 1.00 0.00 C ATOM 493 C SER A 48 5.985 -12.090 0.208 1.00 0.00 C ATOM 494 O SER A 48 5.245 -13.050 -0.015 1.00 0.00 O ATOM 495 CB SER A 48 7.516 -12.498 -1.724 1.00 0.00 C ATOM 496 OG SER A 48 8.831 -12.888 -2.080 1.00 0.00 O ATOM 0 H SER A 48 7.729 -13.822 0.910 1.00 0.00 H new ATOM 0 HA SER A 48 7.845 -11.097 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.825 -13.318 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.201 -11.660 -2.346 1.00 0.00 H new ATOM 0 HG SER A 48 8.853 -13.139 -3.027 1.00 0.00 H new ATOM 502 N ALA A 49 5.579 -10.997 0.845 1.00 0.00 N ATOM 503 CA ALA A 49 4.214 -10.853 1.330 1.00 0.00 C ATOM 504 C ALA A 49 3.523 -9.667 0.659 1.00 0.00 C ATOM 505 O ALA A 49 4.130 -8.612 0.478 1.00 0.00 O ATOM 506 CB ALA A 49 4.201 -10.689 2.843 1.00 0.00 C ATOM 0 H ALA A 49 6.180 -10.195 1.037 1.00 0.00 H new ATOM 0 HA ALA A 49 3.664 -11.759 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.173 -10.583 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.651 -11.566 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.770 -9.801 3.118 1.00 0.00 H new ATOM 512 N PRO A 50 2.244 -9.823 0.273 1.00 0.00 N ATOM 513 CA PRO A 50 1.489 -8.757 -0.385 1.00 0.00 C ATOM 514 C PRO A 50 0.996 -7.693 0.592 1.00 0.00 C ATOM 515 O PRO A 50 0.519 -8.006 1.685 1.00 0.00 O ATOM 516 CB PRO A 50 0.311 -9.503 -1.008 1.00 0.00 C ATOM 517 CG PRO A 50 0.086 -10.670 -0.108 1.00 0.00 C ATOM 518 CD PRO A 50 1.439 -11.050 0.440 1.00 0.00 C ATOM 0 HA PRO A 50 2.098 -8.209 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.574 -8.869 -1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.538 -9.824 -2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.601 -10.413 0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.360 -11.502 -0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.377 -11.349 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.871 -11.889 -0.106 1.00 0.00 H new ATOM 526 N ILE A 51 1.121 -6.431 0.187 1.00 0.00 N ATOM 527 CA ILE A 51 0.698 -5.310 1.014 1.00 0.00 C ATOM 528 C ILE A 51 -0.600 -4.700 0.491 1.00 0.00 C ATOM 529 O ILE A 51 -0.785 -4.552 -0.717 1.00 0.00 O ATOM 530 CB ILE A 51 1.779 -4.214 1.056 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.141 -4.825 1.416 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.389 -3.115 2.037 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.423 -4.885 2.903 1.00 0.00 C ATOM 0 H ILE A 51 1.514 -6.161 -0.715 1.00 0.00 H new ATOM 0 HA ILE A 51 0.536 -5.698 2.019 1.00 0.00 H new ATOM 0 HB ILE A 51 1.861 -3.763 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.193 -5.834 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.926 -4.244 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.165 -2.350 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.445 -2.668 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.278 -3.540 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.404 -5.330 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.406 -3.877 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.662 -5.492 3.393 1.00 0.00 H new ATOM 545 N TYR A 52 -1.494 -4.345 1.407 1.00 0.00 N ATOM 546 CA TYR A 52 -2.773 -3.746 1.040 1.00 0.00 C ATOM 547 C TYR A 52 -2.978 -2.426 1.775 1.00 0.00 C ATOM 548 O TYR A 52 -2.181 -2.054 2.634 1.00 0.00 O ATOM 549 CB TYR A 52 -3.924 -4.704 1.359 1.00 0.00 C ATOM 550 CG TYR A 52 -3.837 -6.025 0.633 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.787 -6.904 0.872 1.00 0.00 C ATOM 552 CD2 TYR A 52 -4.805 -6.398 -0.292 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.704 -8.113 0.211 1.00 0.00 C ATOM 554 CE2 TYR A 52 -4.730 -7.607 -0.957 1.00 0.00 C ATOM 555 CZ TYR A 52 -3.678 -8.461 -0.703 1.00 0.00 C ATOM 556 OH TYR A 52 -3.599 -9.666 -1.363 1.00 0.00 O ATOM 0 H TYR A 52 -1.357 -4.462 2.411 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.762 -3.552 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.942 -4.891 2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.867 -4.221 1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.023 -6.636 1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.630 -5.731 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.881 -8.784 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.492 -7.881 -1.672 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.363 -9.757 -1.970 1.00 0.00 H new ATOM 566 N VAL A 53 -4.053 -1.721 1.434 1.00 0.00 N ATOM 567 CA VAL A 53 -4.359 -0.444 2.068 1.00 0.00 C ATOM 568 C VAL A 53 -5.337 -0.633 3.222 1.00 0.00 C ATOM 569 O VAL A 53 -6.546 -0.742 3.016 1.00 0.00 O ATOM 570 CB VAL A 53 -4.952 0.558 1.058 1.00 0.00 C ATOM 571 CG1 VAL A 53 -5.151 1.919 1.707 1.00 0.00 C ATOM 572 CG2 VAL A 53 -4.056 0.671 -0.166 1.00 0.00 C ATOM 0 H VAL A 53 -4.725 -2.012 0.724 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.421 -0.042 2.451 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.926 0.189 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.570 2.612 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.834 1.823 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.191 2.298 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.489 1.382 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.068 1.016 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.969 -0.305 -0.644 1.00 0.00 H new ATOM 582 N LYS A 54 -4.803 -0.675 4.438 1.00 0.00 N ATOM 583 CA LYS A 54 -5.619 -0.855 5.630 1.00 0.00 C ATOM 584 C LYS A 54 -6.635 0.272 5.776 1.00 0.00 C ATOM 585 O LYS A 54 -7.732 0.064 6.294 1.00 0.00 O ATOM 586 CB LYS A 54 -4.734 -0.921 6.875 1.00 0.00 C ATOM 587 CG LYS A 54 -5.504 -1.211 8.154 1.00 0.00 C ATOM 588 CD LYS A 54 -6.146 -2.588 8.116 1.00 0.00 C ATOM 589 CE LYS A 54 -6.244 -3.194 9.508 1.00 0.00 C ATOM 590 NZ LYS A 54 -7.212 -4.325 9.554 1.00 0.00 N ATOM 0 H LYS A 54 -3.804 -0.586 4.623 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.161 -1.795 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.978 -1.693 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.205 0.026 6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.830 -1.146 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.274 -0.453 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.142 -2.515 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.562 -3.245 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.261 -3.545 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.550 -2.425 10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.250 -4.711 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.156 -3.985 9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.907 -5.070 8.895 1.00 0.00 H new ATOM 604 N ASN A 55 -6.267 1.466 5.322 1.00 0.00 N ATOM 605 CA ASN A 55 -7.165 2.617 5.416 1.00 0.00 C ATOM 606 C ASN A 55 -6.541 3.876 4.821 1.00 0.00 C ATOM 607 O ASN A 55 -5.320 4.018 4.770 1.00 0.00 O ATOM 608 CB ASN A 55 -7.548 2.872 6.877 1.00 0.00 C ATOM 609 CG ASN A 55 -9.013 3.225 7.035 1.00 0.00 C ATOM 610 OD1 ASN A 55 -9.854 2.352 7.248 1.00 0.00 O ATOM 611 ND2 ASN A 55 -9.325 4.512 6.931 1.00 0.00 N ATOM 0 H ASN A 55 -5.364 1.663 4.890 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.058 2.380 4.838 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.325 1.984 7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.937 3.682 7.274 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.295 4.811 7.028 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.594 5.201 6.754 1.00 0.00 H new ATOM 618 N ILE A 56 -7.402 4.795 4.386 1.00 0.00 N ATOM 619 CA ILE A 56 -6.958 6.058 3.805 1.00 0.00 C ATOM 620 C ILE A 56 -7.191 7.204 4.783 1.00 0.00 C ATOM 621 O ILE A 56 -8.299 7.727 4.890 1.00 0.00 O ATOM 622 CB ILE A 56 -7.698 6.364 2.485 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.539 5.200 1.505 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.187 7.664 1.871 1.00 0.00 C ATOM 625 CD1 ILE A 56 -6.123 5.022 0.996 1.00 0.00 C ATOM 0 H ILE A 56 -8.415 4.686 4.426 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.893 5.962 3.595 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.759 6.488 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.859 4.279 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.204 5.358 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.721 7.862 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.354 8.486 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.120 7.574 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.088 4.179 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.806 5.927 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.455 4.832 1.836 1.00 0.00 H new ATOM 637 N LEU A 57 -6.138 7.587 5.495 1.00 0.00 N ATOM 638 CA LEU A 57 -6.225 8.667 6.471 1.00 0.00 C ATOM 639 C LEU A 57 -6.783 9.938 5.833 1.00 0.00 C ATOM 640 O LEU A 57 -6.613 10.168 4.636 1.00 0.00 O ATOM 641 CB LEU A 57 -4.851 8.929 7.085 1.00 0.00 C ATOM 642 CG LEU A 57 -4.107 7.668 7.529 1.00 0.00 C ATOM 643 CD1 LEU A 57 -2.827 8.031 8.263 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.001 6.799 8.404 1.00 0.00 C ATOM 0 H LEU A 57 -5.213 7.165 5.415 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.911 8.363 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.237 9.462 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.970 9.588 7.945 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.839 7.097 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.313 7.120 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.180 8.608 7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.069 8.626 9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.454 5.907 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.302 7.361 9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.887 6.506 7.841 1.00 0.00 H new ATOM 656 N PRO A 58 -7.478 10.774 6.625 1.00 0.00 N ATOM 657 CA PRO A 58 -8.085 12.013 6.134 1.00 0.00 C ATOM 658 C PRO A 58 -7.113 13.190 6.067 1.00 0.00 C ATOM 659 O PRO A 58 -7.538 14.343 5.970 1.00 0.00 O ATOM 660 CB PRO A 58 -9.172 12.284 7.171 1.00 0.00 C ATOM 661 CG PRO A 58 -8.615 11.740 8.443 1.00 0.00 C ATOM 662 CD PRO A 58 -7.750 10.564 8.062 1.00 0.00 C ATOM 0 HA PRO A 58 -8.442 11.906 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.385 13.350 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.107 11.792 6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.032 12.497 8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.415 11.432 9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.829 10.541 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.262 9.618 8.238 1.00 0.00 H new ATOM 670 N ARG A 59 -5.814 12.908 6.114 1.00 0.00 N ATOM 671 CA ARG A 59 -4.811 13.962 6.055 1.00 0.00 C ATOM 672 C ARG A 59 -3.544 13.478 5.359 1.00 0.00 C ATOM 673 O ARG A 59 -2.615 12.993 6.005 1.00 0.00 O ATOM 674 CB ARG A 59 -4.471 14.456 7.463 1.00 0.00 C ATOM 675 CG ARG A 59 -5.550 15.325 8.086 1.00 0.00 C ATOM 676 CD ARG A 59 -5.426 16.773 7.641 1.00 0.00 C ATOM 677 NE ARG A 59 -4.273 17.436 8.247 1.00 0.00 N ATOM 678 CZ ARG A 59 -4.235 17.844 9.512 1.00 0.00 C ATOM 679 NH1 ARG A 59 -5.283 17.662 10.308 1.00 0.00 N ATOM 680 NH2 ARG A 59 -3.148 18.437 9.986 1.00 0.00 N ATOM 0 H ARG A 59 -5.435 11.964 6.192 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.229 14.786 5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.295 13.595 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.540 15.021 7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.532 14.941 7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.481 15.270 9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.337 16.812 6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.335 17.313 7.906 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.450 17.595 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.123 17.207 9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.248 17.977 11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.340 18.581 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.120 18.750 10.956 1.00 0.00 H new ATOM 694 N GLY A 60 -3.511 13.622 4.041 1.00 0.00 N ATOM 695 CA GLY A 60 -2.350 13.203 3.278 1.00 0.00 C ATOM 696 C GLY A 60 -2.465 13.557 1.809 1.00 0.00 C ATOM 697 O GLY A 60 -3.457 14.144 1.386 1.00 0.00 O ATOM 0 H GLY A 60 -4.267 14.022 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.458 13.672 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.221 12.125 3.380 1.00 0.00 H new ATOM 701 N ALA A 61 -1.443 13.207 1.038 1.00 0.00 N ATOM 702 CA ALA A 61 -1.423 13.501 -0.390 1.00 0.00 C ATOM 703 C ALA A 61 -2.341 12.573 -1.180 1.00 0.00 C ATOM 704 O ALA A 61 -2.869 12.957 -2.225 1.00 0.00 O ATOM 705 CB ALA A 61 -0.001 13.413 -0.921 1.00 0.00 C ATOM 0 H ALA A 61 -0.615 12.718 1.378 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.797 14.516 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.003 13.634 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.628 14.134 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.387 12.408 -0.757 1.00 0.00 H new ATOM 711 N ALA A 62 -2.527 11.350 -0.691 1.00 0.00 N ATOM 712 CA ALA A 62 -3.379 10.384 -1.378 1.00 0.00 C ATOM 713 C ALA A 62 -4.825 10.859 -1.434 1.00 0.00 C ATOM 714 O ALA A 62 -5.419 10.935 -2.511 1.00 0.00 O ATOM 715 CB ALA A 62 -3.293 9.021 -0.704 1.00 0.00 C ATOM 0 H ALA A 62 -2.103 11.006 0.171 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.018 10.292 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.935 8.314 -1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.263 8.666 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.620 9.106 0.332 1.00 0.00 H new ATOM 721 N ILE A 63 -5.393 11.170 -0.276 1.00 0.00 N ATOM 722 CA ILE A 63 -6.773 11.628 -0.205 1.00 0.00 C ATOM 723 C ILE A 63 -6.998 12.876 -1.061 1.00 0.00 C ATOM 724 O ILE A 63 -8.082 13.068 -1.609 1.00 0.00 O ATOM 725 CB ILE A 63 -7.205 11.877 1.254 1.00 0.00 C ATOM 726 CG1 ILE A 63 -8.658 11.445 1.425 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.011 13.334 1.665 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.080 11.309 2.866 1.00 0.00 C ATOM 0 H ILE A 63 -4.919 11.113 0.626 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.398 10.833 -0.611 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.570 11.283 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.305 12.171 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.807 10.491 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.328 13.465 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.959 13.602 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.608 13.977 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.124 10.999 2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.458 10.562 3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.964 12.268 3.371 1.00 0.00 H new ATOM 740 N GLN A 64 -5.970 13.712 -1.187 1.00 0.00 N ATOM 741 CA GLN A 64 -6.076 14.921 -1.996 1.00 0.00 C ATOM 742 C GLN A 64 -6.186 14.557 -3.467 1.00 0.00 C ATOM 743 O GLN A 64 -7.032 15.082 -4.191 1.00 0.00 O ATOM 744 CB GLN A 64 -4.865 15.833 -1.784 1.00 0.00 C ATOM 745 CG GLN A 64 -4.420 15.930 -0.337 1.00 0.00 C ATOM 746 CD GLN A 64 -4.527 17.337 0.216 1.00 0.00 C ATOM 747 OE1 GLN A 64 -5.600 17.775 0.631 1.00 0.00 O ATOM 748 NE2 GLN A 64 -3.409 18.056 0.223 1.00 0.00 N ATOM 0 H GLN A 64 -5.062 13.575 -0.743 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.973 15.457 -1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.034 15.465 -2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.105 16.832 -2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.026 15.258 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.388 15.590 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.541 17.653 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.419 19.011 0.582 1.00 0.00 H new ATOM 757 N ASP A 65 -5.320 13.649 -3.899 1.00 0.00 N ATOM 758 CA ASP A 65 -5.311 13.197 -5.284 1.00 0.00 C ATOM 759 C ASP A 65 -6.555 12.368 -5.584 1.00 0.00 C ATOM 760 O ASP A 65 -7.080 12.396 -6.697 1.00 0.00 O ATOM 761 CB ASP A 65 -4.053 12.372 -5.565 1.00 0.00 C ATOM 762 CG ASP A 65 -2.808 13.231 -5.657 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.321 13.686 -4.601 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.319 13.450 -6.786 1.00 0.00 O ATOM 0 H ASP A 65 -4.613 13.210 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.311 14.074 -5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.923 11.632 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.182 11.823 -6.498 1.00 0.00 H new ATOM 769 N GLY A 66 -7.020 11.627 -4.582 1.00 0.00 N ATOM 770 CA GLY A 66 -8.196 10.798 -4.758 1.00 0.00 C ATOM 771 C GLY A 66 -8.009 9.757 -5.841 1.00 0.00 C ATOM 772 O GLY A 66 -8.941 9.443 -6.581 1.00 0.00 O ATOM 0 H GLY A 66 -6.602 11.587 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.432 10.301 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.049 11.429 -5.008 1.00 0.00 H new ATOM 776 N ARG A 67 -6.797 9.223 -5.935 1.00 0.00 N ATOM 777 CA ARG A 67 -6.482 8.213 -6.938 1.00 0.00 C ATOM 778 C ARG A 67 -6.335 6.835 -6.301 1.00 0.00 C ATOM 779 O ARG A 67 -6.738 5.827 -6.883 1.00 0.00 O ATOM 780 CB ARG A 67 -5.200 8.588 -7.682 1.00 0.00 C ATOM 781 CG ARG A 67 -5.309 9.886 -8.468 1.00 0.00 C ATOM 782 CD ARG A 67 -4.183 10.023 -9.481 1.00 0.00 C ATOM 783 NE ARG A 67 -4.659 9.866 -10.853 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.855 9.681 -11.898 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.540 9.628 -11.732 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.368 9.547 -13.113 1.00 0.00 N ATOM 0 H ARG A 67 -6.016 9.473 -5.328 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.307 8.173 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.385 8.676 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.937 7.780 -8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.269 9.921 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.286 10.731 -7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.712 11.000 -9.370 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.417 9.275 -9.275 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.665 9.900 -11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.139 9.729 -10.800 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.930 9.486 -12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.378 9.586 -13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.752 9.405 -13.914 1.00 0.00 H new ATOM 800 N LEU A 68 -5.758 6.795 -5.105 1.00 0.00 N ATOM 801 CA LEU A 68 -5.563 5.539 -4.393 1.00 0.00 C ATOM 802 C LEU A 68 -6.419 5.500 -3.128 1.00 0.00 C ATOM 803 O LEU A 68 -6.276 6.344 -2.242 1.00 0.00 O ATOM 804 CB LEU A 68 -4.073 5.348 -4.065 1.00 0.00 C ATOM 805 CG LEU A 68 -3.743 4.979 -2.617 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.297 3.603 -2.276 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.239 5.021 -2.388 1.00 0.00 C ATOM 0 H LEU A 68 -5.417 7.618 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.881 4.715 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.676 4.569 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.547 6.270 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.213 5.710 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.052 3.358 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.380 3.605 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.856 2.859 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.021 4.756 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.749 4.312 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.868 6.026 -2.591 1.00 0.00 H new ATOM 819 N LYS A 69 -7.314 4.520 -3.057 1.00 0.00 N ATOM 820 CA LYS A 69 -8.198 4.373 -1.909 1.00 0.00 C ATOM 821 C LYS A 69 -7.862 3.115 -1.113 1.00 0.00 C ATOM 822 O LYS A 69 -6.833 2.480 -1.340 1.00 0.00 O ATOM 823 CB LYS A 69 -9.650 4.323 -2.376 1.00 0.00 C ATOM 824 CG LYS A 69 -10.301 5.688 -2.452 1.00 0.00 C ATOM 825 CD LYS A 69 -11.522 5.656 -3.346 1.00 0.00 C ATOM 826 CE LYS A 69 -12.103 7.045 -3.558 1.00 0.00 C ATOM 827 NZ LYS A 69 -13.374 7.237 -2.807 1.00 0.00 N ATOM 0 H LYS A 69 -7.445 3.815 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.056 5.235 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.693 3.852 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.222 3.692 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.586 6.015 -1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.585 6.416 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.255 5.222 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.279 5.009 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.377 7.794 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.282 7.205 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.737 8.196 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.075 6.539 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.199 7.110 -1.790 1.00 0.00 H new ATOM 841 N ALA A 70 -8.741 2.762 -0.179 1.00 0.00 N ATOM 842 CA ALA A 70 -8.541 1.581 0.653 1.00 0.00 C ATOM 843 C ALA A 70 -8.827 0.304 -0.129 1.00 0.00 C ATOM 844 O ALA A 70 -9.576 0.316 -1.105 1.00 0.00 O ATOM 845 CB ALA A 70 -9.422 1.652 1.890 1.00 0.00 C ATOM 0 H ALA A 70 -9.598 3.277 0.020 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.497 1.559 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.262 0.764 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.168 2.541 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.468 1.702 1.589 1.00 0.00 H new ATOM 851 N GLY A 71 -8.224 -0.798 0.307 1.00 0.00 N ATOM 852 CA GLY A 71 -8.426 -2.068 -0.364 1.00 0.00 C ATOM 853 C GLY A 71 -7.433 -2.303 -1.488 1.00 0.00 C ATOM 854 O GLY A 71 -7.324 -3.417 -2.003 1.00 0.00 O ATOM 0 H GLY A 71 -7.600 -0.833 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.343 -2.876 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.438 -2.105 -0.766 1.00 0.00 H new ATOM 858 N ASP A 72 -6.710 -1.256 -1.874 1.00 0.00 N ATOM 859 CA ASP A 72 -5.727 -1.360 -2.946 1.00 0.00 C ATOM 860 C ASP A 72 -4.510 -2.163 -2.498 1.00 0.00 C ATOM 861 O ASP A 72 -4.080 -2.070 -1.347 1.00 0.00 O ATOM 862 CB ASP A 72 -5.297 0.036 -3.406 1.00 0.00 C ATOM 863 CG ASP A 72 -5.785 0.358 -4.805 1.00 0.00 C ATOM 864 OD1 ASP A 72 -5.814 -0.560 -5.649 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.138 1.530 -5.054 1.00 0.00 O ATOM 0 H ASP A 72 -6.787 -0.327 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.191 -1.884 -3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.682 0.780 -2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.210 0.106 -3.378 1.00 0.00 H new ATOM 870 N ARG A 73 -3.961 -2.953 -3.414 1.00 0.00 N ATOM 871 CA ARG A 73 -2.793 -3.776 -3.117 1.00 0.00 C ATOM 872 C ARG A 73 -1.528 -3.170 -3.716 1.00 0.00 C ATOM 873 O ARG A 73 -1.410 -3.036 -4.935 1.00 0.00 O ATOM 874 CB ARG A 73 -2.995 -5.193 -3.658 1.00 0.00 C ATOM 875 CG ARG A 73 -2.383 -6.276 -2.783 1.00 0.00 C ATOM 876 CD ARG A 73 -1.049 -6.757 -3.334 1.00 0.00 C ATOM 877 NE ARG A 73 -1.104 -8.156 -3.756 1.00 0.00 N ATOM 878 CZ ARG A 73 -1.432 -8.555 -4.984 1.00 0.00 C ATOM 879 NH1 ARG A 73 -1.745 -7.667 -5.920 1.00 0.00 N ATOM 880 NH2 ARG A 73 -1.450 -9.848 -5.276 1.00 0.00 N ATOM 0 H ARG A 73 -4.306 -3.041 -4.370 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.676 -3.816 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.063 -5.383 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.561 -5.256 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.242 -5.891 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.072 -7.118 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.760 -6.134 -4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.278 -6.638 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.877 -8.872 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.735 -6.671 -5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.995 -7.981 -6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.213 -10.536 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.701 -10.155 -6.216 1.00 0.00 H new ATOM 894 N LEU A 74 -0.584 -2.808 -2.852 1.00 0.00 N ATOM 895 CA LEU A 74 0.676 -2.220 -3.292 1.00 0.00 C ATOM 896 C LEU A 74 1.550 -3.262 -3.978 1.00 0.00 C ATOM 897 O LEU A 74 1.976 -4.237 -3.359 1.00 0.00 O ATOM 898 CB LEU A 74 1.422 -1.614 -2.104 1.00 0.00 C ATOM 899 CG LEU A 74 1.074 -0.156 -1.804 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.166 -0.061 -0.587 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.339 0.664 -1.595 1.00 0.00 C ATOM 0 H LEU A 74 -0.669 -2.912 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 74 0.450 -1.432 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.212 -2.213 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.493 -1.686 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 74 0.539 0.252 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.070 0.985 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.755 -0.612 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.672 -0.488 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.071 1.699 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.903 0.256 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.951 0.625 -2.496 1.00 0.00 H new ATOM 913 N ILE A 75 1.810 -3.044 -5.258 1.00 0.00 N ATOM 914 CA ILE A 75 2.632 -3.954 -6.040 1.00 0.00 C ATOM 915 C ILE A 75 4.024 -3.375 -6.267 1.00 0.00 C ATOM 916 O ILE A 75 4.995 -4.113 -6.433 1.00 0.00 O ATOM 917 CB ILE A 75 1.980 -4.261 -7.396 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.583 -4.847 -7.174 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.855 -5.216 -8.202 1.00 0.00 C ATOM 920 CD1 ILE A 75 0.072 -5.675 -8.331 1.00 0.00 C ATOM 0 H ILE A 75 1.461 -2.240 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 75 2.720 -4.880 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 75 1.882 -3.337 -7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.598 -5.466 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.116 -4.032 -6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.379 -5.424 -9.160 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.830 -4.760 -8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.981 -6.147 -7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.923 -6.054 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.022 -5.056 -9.227 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.748 -6.512 -8.505 1.00 0.00 H new ATOM 932 N GLU A 76 4.114 -2.047 -6.276 1.00 0.00 N ATOM 933 CA GLU A 76 5.390 -1.373 -6.488 1.00 0.00 C ATOM 934 C GLU A 76 5.369 0.048 -5.930 1.00 0.00 C ATOM 935 O GLU A 76 4.310 0.670 -5.825 1.00 0.00 O ATOM 936 CB GLU A 76 5.732 -1.338 -7.979 1.00 0.00 C ATOM 937 CG GLU A 76 5.891 -2.716 -8.601 1.00 0.00 C ATOM 938 CD GLU A 76 6.550 -2.669 -9.965 1.00 0.00 C ATOM 939 OE1 GLU A 76 7.389 -1.769 -10.188 1.00 0.00 O ATOM 940 OE2 GLU A 76 6.231 -3.531 -10.810 1.00 0.00 O ATOM 0 H GLU A 76 3.321 -1.420 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 76 6.155 -1.938 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.948 -0.797 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.656 -0.777 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.485 -3.344 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.911 -3.185 -8.691 1.00 0.00 H new ATOM 947 N VAL A 77 6.546 0.556 -5.579 1.00 0.00 N ATOM 948 CA VAL A 77 6.673 1.905 -5.036 1.00 0.00 C ATOM 949 C VAL A 77 7.901 2.609 -5.608 1.00 0.00 C ATOM 950 O VAL A 77 9.006 2.067 -5.581 1.00 0.00 O ATOM 951 CB VAL A 77 6.770 1.892 -3.495 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.978 3.301 -2.949 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.530 1.254 -2.882 1.00 0.00 C ATOM 0 H VAL A 77 7.429 0.052 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 77 5.774 2.448 -5.326 1.00 0.00 H new ATOM 0 HB VAL A 77 7.636 1.292 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.043 3.264 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.901 3.715 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.138 3.932 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.619 1.255 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.647 1.822 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.435 0.228 -3.237 1.00 0.00 H new ATOM 963 N ASN A 78 7.700 3.818 -6.122 1.00 0.00 N ATOM 964 CA ASN A 78 8.790 4.601 -6.700 1.00 0.00 C ATOM 965 C ASN A 78 9.626 3.755 -7.657 1.00 0.00 C ATOM 966 O ASN A 78 10.847 3.905 -7.731 1.00 0.00 O ATOM 967 CB ASN A 78 9.677 5.169 -5.589 1.00 0.00 C ATOM 968 CG ASN A 78 9.847 6.671 -5.696 1.00 0.00 C ATOM 969 OD1 ASN A 78 9.407 7.391 -4.670 1.00 0.00 O flip ATOM 970 ND2 ASN A 78 10.367 7.180 -6.690 1.00 0.00 N flip ATOM 0 H ASN A 78 6.791 4.279 -6.151 1.00 0.00 H new ATOM 0 HA ASN A 78 8.354 5.424 -7.266 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.243 4.923 -4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.656 4.692 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.691 6.589 -7.455 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.474 8.193 -6.748 1.00 0.00 H new ATOM 977 N GLY A 79 8.960 2.865 -8.386 1.00 0.00 N ATOM 978 CA GLY A 79 9.656 2.006 -9.326 1.00 0.00 C ATOM 979 C GLY A 79 10.319 0.823 -8.645 1.00 0.00 C ATOM 980 O GLY A 79 11.272 0.249 -9.173 1.00 0.00 O ATOM 0 H GLY A 79 7.951 2.723 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.951 1.643 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.411 2.587 -9.855 1.00 0.00 H new ATOM 984 N VAL A 80 9.816 0.459 -7.471 1.00 0.00 N ATOM 985 CA VAL A 80 10.364 -0.659 -6.718 1.00 0.00 C ATOM 986 C VAL A 80 9.429 -1.862 -6.760 1.00 0.00 C ATOM 987 O VAL A 80 8.208 -1.713 -6.791 1.00 0.00 O ATOM 988 CB VAL A 80 10.621 -0.277 -5.245 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.107 -1.480 -4.447 1.00 0.00 C ATOM 990 CG2 VAL A 80 11.621 0.866 -5.159 1.00 0.00 C ATOM 0 H VAL A 80 9.028 0.924 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 80 11.312 -0.920 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 80 9.679 0.056 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.281 -1.184 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.352 -2.266 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.036 -1.852 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.791 1.123 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.563 0.561 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.227 1.735 -5.687 1.00 0.00 H new ATOM 1000 N ASP A 81 10.014 -3.053 -6.750 1.00 0.00 N ATOM 1001 CA ASP A 81 9.238 -4.284 -6.777 1.00 0.00 C ATOM 1002 C ASP A 81 8.949 -4.763 -5.357 1.00 0.00 C ATOM 1003 O ASP A 81 9.619 -5.661 -4.845 1.00 0.00 O ATOM 1004 CB ASP A 81 9.987 -5.369 -7.551 1.00 0.00 C ATOM 1005 CG ASP A 81 11.381 -5.611 -7.006 1.00 0.00 C ATOM 1006 OD1 ASP A 81 12.297 -4.836 -7.355 1.00 0.00 O ATOM 1007 OD2 ASP A 81 11.557 -6.574 -6.230 1.00 0.00 O ATOM 0 H ASP A 81 11.024 -3.192 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 81 8.292 -4.082 -7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.418 -6.298 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.055 -5.082 -8.600 1.00 0.00 H new ATOM 1012 N LEU A 82 7.948 -4.155 -4.726 1.00 0.00 N ATOM 1013 CA LEU A 82 7.567 -4.515 -3.363 1.00 0.00 C ATOM 1014 C LEU A 82 7.411 -6.025 -3.215 1.00 0.00 C ATOM 1015 O LEU A 82 7.574 -6.573 -2.126 1.00 0.00 O ATOM 1016 CB LEU A 82 6.259 -3.820 -2.977 1.00 0.00 C ATOM 1017 CG LEU A 82 6.269 -2.296 -3.113 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.855 -1.744 -3.003 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.174 -1.673 -2.061 1.00 0.00 C ATOM 0 H LEU A 82 7.386 -3.410 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 82 8.362 -4.184 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.457 -4.219 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.021 -4.076 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 82 6.662 -2.038 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.879 -0.659 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.237 -2.167 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.435 -2.011 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.169 -0.589 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.812 -1.937 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.190 -2.046 -2.188 1.00 0.00 H new ATOM 1031 N ALA A 83 7.094 -6.690 -4.321 1.00 0.00 N ATOM 1032 CA ALA A 83 6.916 -8.137 -4.315 1.00 0.00 C ATOM 1033 C ALA A 83 8.194 -8.844 -3.881 1.00 0.00 C ATOM 1034 O ALA A 83 9.055 -9.155 -4.705 1.00 0.00 O ATOM 1035 CB ALA A 83 6.482 -8.622 -5.690 1.00 0.00 C ATOM 0 H ALA A 83 6.955 -6.251 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 83 6.135 -8.379 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.353 -9.704 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.538 -8.149 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.243 -8.361 -6.425 1.00 0.00 H new ATOM 1041 N GLY A 84 8.312 -9.097 -2.581 1.00 0.00 N ATOM 1042 CA GLY A 84 9.490 -9.764 -2.059 1.00 0.00 C ATOM 1043 C GLY A 84 10.297 -8.882 -1.128 1.00 0.00 C ATOM 1044 O GLY A 84 11.505 -9.068 -0.978 1.00 0.00 O ATOM 0 H GLY A 84 7.613 -8.852 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.186 -10.665 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.121 -10.082 -2.889 1.00 0.00 H new ATOM 1048 N LYS A 85 9.631 -7.916 -0.500 1.00 0.00 N ATOM 1049 CA LYS A 85 10.298 -7.004 0.419 1.00 0.00 C ATOM 1050 C LYS A 85 9.814 -7.220 1.854 1.00 0.00 C ATOM 1051 O LYS A 85 10.356 -8.058 2.576 1.00 0.00 O ATOM 1052 CB LYS A 85 10.069 -5.552 -0.015 1.00 0.00 C ATOM 1053 CG LYS A 85 10.813 -5.175 -1.287 1.00 0.00 C ATOM 1054 CD LYS A 85 11.859 -4.102 -1.026 1.00 0.00 C ATOM 1055 CE LYS A 85 12.614 -3.740 -2.296 1.00 0.00 C ATOM 1056 NZ LYS A 85 14.088 -3.828 -2.109 1.00 0.00 N ATOM 0 H LYS A 85 8.631 -7.747 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 85 11.368 -7.212 0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.002 -5.390 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.381 -4.887 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.294 -6.060 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.103 -4.818 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.376 -3.212 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.562 -4.454 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.310 -4.408 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.346 -2.729 -2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.566 -3.574 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.382 -3.172 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.347 -4.799 -1.842 1.00 0.00 H new ATOM 1070 N SER A 86 8.792 -6.464 2.263 1.00 0.00 N ATOM 1071 CA SER A 86 8.233 -6.573 3.610 1.00 0.00 C ATOM 1072 C SER A 86 7.353 -5.366 3.917 1.00 0.00 C ATOM 1073 O SER A 86 7.410 -4.354 3.221 1.00 0.00 O ATOM 1074 CB SER A 86 9.347 -6.684 4.658 1.00 0.00 C ATOM 1075 OG SER A 86 9.369 -7.974 5.243 1.00 0.00 O ATOM 0 H SER A 86 8.334 -5.767 1.676 1.00 0.00 H new ATOM 0 HA SER A 86 7.627 -7.478 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.310 -6.476 4.193 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.198 -5.932 5.433 1.00 0.00 H new ATOM 0 HG SER A 86 9.736 -8.618 4.602 1.00 0.00 H new ATOM 1081 N GLN A 87 6.553 -5.472 4.971 1.00 0.00 N ATOM 1082 CA GLN A 87 5.677 -4.379 5.371 1.00 0.00 C ATOM 1083 C GLN A 87 6.504 -3.220 5.893 1.00 0.00 C ATOM 1084 O GLN A 87 6.399 -2.096 5.406 1.00 0.00 O ATOM 1085 CB GLN A 87 4.686 -4.846 6.439 1.00 0.00 C ATOM 1086 CG GLN A 87 3.761 -3.747 6.935 1.00 0.00 C ATOM 1087 CD GLN A 87 3.022 -3.054 5.807 1.00 0.00 C ATOM 1088 OE1 GLN A 87 3.633 -2.395 4.963 1.00 0.00 O ATOM 1089 NE2 GLN A 87 1.703 -3.196 5.787 1.00 0.00 N ATOM 0 H GLN A 87 6.493 -6.301 5.562 1.00 0.00 H new ATOM 0 HA GLN A 87 5.111 -4.049 4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.085 -5.660 6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.241 -5.251 7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.038 -4.172 7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.342 -3.011 7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.239 -3.751 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.153 -2.750 5.052 1.00 0.00 H new ATOM 1098 N GLU A 88 7.349 -3.510 6.872 1.00 0.00 N ATOM 1099 CA GLU A 88 8.220 -2.498 7.445 1.00 0.00 C ATOM 1100 C GLU A 88 9.181 -1.994 6.380 1.00 0.00 C ATOM 1101 O GLU A 88 9.593 -0.834 6.395 1.00 0.00 O ATOM 1102 CB GLU A 88 8.994 -3.064 8.636 1.00 0.00 C ATOM 1103 CG GLU A 88 9.606 -1.996 9.529 1.00 0.00 C ATOM 1104 CD GLU A 88 8.658 -1.530 10.616 1.00 0.00 C ATOM 1105 OE1 GLU A 88 7.664 -0.851 10.286 1.00 0.00 O ATOM 1106 OE2 GLU A 88 8.908 -1.848 11.798 1.00 0.00 O ATOM 0 H GLU A 88 7.449 -4.437 7.285 1.00 0.00 H new ATOM 0 HA GLU A 88 7.611 -1.667 7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.324 -3.684 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.787 -3.715 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.514 -2.388 9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.900 -1.142 8.918 1.00 0.00 H new ATOM 1113 N GLU A 89 9.521 -2.874 5.440 1.00 0.00 N ATOM 1114 CA GLU A 89 10.416 -2.513 4.350 1.00 0.00 C ATOM 1115 C GLU A 89 9.702 -1.567 3.394 1.00 0.00 C ATOM 1116 O GLU A 89 10.210 -0.496 3.063 1.00 0.00 O ATOM 1117 CB GLU A 89 10.886 -3.762 3.605 1.00 0.00 C ATOM 1118 CG GLU A 89 11.893 -4.595 4.381 1.00 0.00 C ATOM 1119 CD GLU A 89 13.207 -3.870 4.594 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.937 -3.661 3.602 1.00 0.00 O ATOM 1121 OE2 GLU A 89 13.505 -3.511 5.752 1.00 0.00 O ATOM 0 H GLU A 89 9.190 -3.838 5.414 1.00 0.00 H new ATOM 0 HA GLU A 89 11.291 -2.012 4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.020 -4.381 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.331 -3.462 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.469 -4.863 5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.078 -5.526 3.846 1.00 0.00 H new ATOM 1128 N VAL A 90 8.510 -1.973 2.972 1.00 0.00 N ATOM 1129 CA VAL A 90 7.700 -1.168 2.068 1.00 0.00 C ATOM 1130 C VAL A 90 7.396 0.188 2.696 1.00 0.00 C ATOM 1131 O VAL A 90 7.532 1.233 2.053 1.00 0.00 O ATOM 1132 CB VAL A 90 6.381 -1.889 1.713 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.449 -0.971 0.932 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.666 -3.158 0.923 1.00 0.00 C ATOM 0 H VAL A 90 8.083 -2.859 3.243 1.00 0.00 H new ATOM 0 HA VAL A 90 8.269 -1.019 1.150 1.00 0.00 H new ATOM 0 HB VAL A 90 5.883 -2.162 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.528 -1.504 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.216 -0.092 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.936 -0.659 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.726 -3.654 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.190 -2.903 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.286 -3.827 1.520 1.00 0.00 H new ATOM 1144 N VAL A 91 7.005 0.165 3.966 1.00 0.00 N ATOM 1145 CA VAL A 91 6.705 1.390 4.689 1.00 0.00 C ATOM 1146 C VAL A 91 7.949 2.262 4.774 1.00 0.00 C ATOM 1147 O VAL A 91 7.863 3.489 4.766 1.00 0.00 O ATOM 1148 CB VAL A 91 6.182 1.099 6.110 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.798 2.392 6.815 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.000 0.142 6.058 1.00 0.00 C ATOM 0 H VAL A 91 6.889 -0.688 4.513 1.00 0.00 H new ATOM 0 HA VAL A 91 5.922 1.914 4.140 1.00 0.00 H new ATOM 0 HB VAL A 91 6.981 0.625 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.431 2.165 7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.671 3.041 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.016 2.897 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.644 -0.052 7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.197 0.587 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.311 -0.795 5.597 1.00 0.00 H new ATOM 1160 N SER A 92 9.110 1.614 4.844 1.00 0.00 N ATOM 1161 CA SER A 92 10.377 2.327 4.915 1.00 0.00 C ATOM 1162 C SER A 92 10.616 3.111 3.631 1.00 0.00 C ATOM 1163 O SER A 92 11.139 4.225 3.661 1.00 0.00 O ATOM 1164 CB SER A 92 11.528 1.348 5.157 1.00 0.00 C ATOM 1165 OG SER A 92 11.899 1.322 6.525 1.00 0.00 O ATOM 0 H SER A 92 9.196 0.598 4.853 1.00 0.00 H new ATOM 0 HA SER A 92 10.333 3.027 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.232 0.348 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.387 1.635 4.550 1.00 0.00 H new ATOM 0 HG SER A 92 11.325 0.691 7.008 1.00 0.00 H new ATOM 1171 N LEU A 93 10.218 2.528 2.503 1.00 0.00 N ATOM 1172 CA LEU A 93 10.380 3.185 1.210 1.00 0.00 C ATOM 1173 C LEU A 93 9.559 4.465 1.169 1.00 0.00 C ATOM 1174 O LEU A 93 10.069 5.539 0.853 1.00 0.00 O ATOM 1175 CB LEU A 93 9.951 2.267 0.063 1.00 0.00 C ATOM 1176 CG LEU A 93 10.264 0.790 0.265 1.00 0.00 C ATOM 1177 CD1 LEU A 93 9.721 -0.036 -0.891 1.00 0.00 C ATOM 1178 CD2 LEU A 93 11.762 0.577 0.421 1.00 0.00 C ATOM 0 H LEU A 93 9.783 1.606 2.458 1.00 0.00 H new ATOM 0 HA LEU A 93 11.437 3.422 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.877 2.377 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.438 2.604 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 93 9.775 0.458 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.955 -1.088 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.640 0.090 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.178 0.297 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.966 -0.484 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.275 0.927 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.121 1.135 1.286 1.00 0.00 H new ATOM 1190 N LEU A 94 8.279 4.335 1.501 1.00 0.00 N ATOM 1191 CA LEU A 94 7.375 5.486 1.513 1.00 0.00 C ATOM 1192 C LEU A 94 7.768 6.451 2.625 1.00 0.00 C ATOM 1193 O LEU A 94 7.682 7.669 2.469 1.00 0.00 O ATOM 1194 CB LEU A 94 5.906 5.061 1.693 1.00 0.00 C ATOM 1195 CG LEU A 94 5.645 3.556 1.765 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.214 3.286 2.211 1.00 0.00 C ATOM 1197 CD2 LEU A 94 5.919 2.902 0.418 1.00 0.00 C ATOM 0 H LEU A 94 7.843 3.451 1.764 1.00 0.00 H new ATOM 0 HA LEU A 94 7.466 5.981 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.526 5.519 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.327 5.470 0.866 1.00 0.00 H new ATOM 0 HG LEU A 94 6.323 3.122 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.044 2.210 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.052 3.722 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.520 3.733 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.728 1.831 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.266 3.338 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.959 3.068 0.138 1.00 0.00 H new ATOM 1209 N ARG A 95 8.202 5.896 3.748 1.00 0.00 N ATOM 1210 CA ARG A 95 8.617 6.703 4.889 1.00 0.00 C ATOM 1211 C ARG A 95 9.938 7.407 4.598 1.00 0.00 C ATOM 1212 O ARG A 95 10.194 8.502 5.100 1.00 0.00 O ATOM 1213 CB ARG A 95 8.753 5.831 6.139 1.00 0.00 C ATOM 1214 CG ARG A 95 7.423 5.528 6.816 1.00 0.00 C ATOM 1215 CD ARG A 95 7.511 5.679 8.327 1.00 0.00 C ATOM 1216 NE ARG A 95 6.568 6.677 8.830 1.00 0.00 N ATOM 1217 CZ ARG A 95 6.106 6.699 10.079 1.00 0.00 C ATOM 1218 NH1 ARG A 95 6.499 5.784 10.959 1.00 0.00 N ATOM 1219 NH2 ARG A 95 5.247 7.638 10.451 1.00 0.00 N ATOM 0 H ARG A 95 8.276 4.889 3.894 1.00 0.00 H new ATOM 0 HA ARG A 95 7.852 7.458 5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.235 4.892 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.409 6.331 6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.656 6.199 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.113 4.513 6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.310 4.718 8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.525 5.965 8.605 1.00 0.00 H new ATOM 0 HE ARG A 95 6.245 7.399 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.159 5.058 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.141 5.808 11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.940 8.343 9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.893 7.655 11.407 1.00 0.00 H new ATOM 1233 N SER A 96 10.775 6.772 3.782 1.00 0.00 N ATOM 1234 CA SER A 96 12.069 7.337 3.420 1.00 0.00 C ATOM 1235 C SER A 96 11.897 8.634 2.640 1.00 0.00 C ATOM 1236 O SER A 96 12.649 9.590 2.830 1.00 0.00 O ATOM 1237 CB SER A 96 12.876 6.333 2.594 1.00 0.00 C ATOM 1238 OG SER A 96 14.175 6.827 2.317 1.00 0.00 O ATOM 0 H SER A 96 10.579 5.865 3.359 1.00 0.00 H new ATOM 0 HA SER A 96 12.611 7.557 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.950 5.389 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.356 6.125 1.659 1.00 0.00 H new ATOM 0 HG SER A 96 14.671 6.166 1.790 1.00 0.00 H new ATOM 1244 N THR A 97 10.899 8.662 1.762 1.00 0.00 N ATOM 1245 CA THR A 97 10.622 9.846 0.953 1.00 0.00 C ATOM 1246 C THR A 97 10.425 11.072 1.841 1.00 0.00 C ATOM 1247 O THR A 97 9.651 11.038 2.799 1.00 0.00 O ATOM 1248 CB THR A 97 9.380 9.622 0.085 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.745 8.401 0.416 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.675 9.591 -1.399 1.00 0.00 C ATOM 0 H THR A 97 10.268 7.879 1.592 1.00 0.00 H new ATOM 0 HA THR A 97 11.479 10.022 0.303 1.00 0.00 H new ATOM 0 HB THR A 97 8.735 10.475 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.395 8.452 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.749 9.429 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.116 10.540 -1.702 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.372 8.781 -1.615 1.00 0.00 H new ATOM 1258 N LYS A 98 11.130 12.150 1.519 1.00 0.00 N ATOM 1259 CA LYS A 98 11.033 13.385 2.291 1.00 0.00 C ATOM 1260 C LYS A 98 10.141 14.401 1.586 1.00 0.00 C ATOM 1261 O LYS A 98 9.567 14.113 0.537 1.00 0.00 O ATOM 1262 CB LYS A 98 12.423 13.977 2.518 1.00 0.00 C ATOM 1263 CG LYS A 98 13.250 14.070 1.249 1.00 0.00 C ATOM 1264 CD LYS A 98 14.400 13.076 1.257 1.00 0.00 C ATOM 1265 CE LYS A 98 15.738 13.770 1.448 1.00 0.00 C ATOM 1266 NZ LYS A 98 16.206 13.695 2.860 1.00 0.00 N ATOM 0 H LYS A 98 11.775 12.195 0.730 1.00 0.00 H new ATOM 0 HA LYS A 98 10.585 13.147 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.320 14.972 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.956 13.366 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.613 13.884 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.643 15.081 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.249 12.350 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.408 12.521 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 98 16.481 13.312 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.651 14.815 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.122 14.180 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.510 14.154 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.314 12.699 3.138 1.00 0.00 H new ATOM 1280 N MET A 99 10.030 15.592 2.169 1.00 0.00 N ATOM 1281 CA MET A 99 9.208 16.652 1.597 1.00 0.00 C ATOM 1282 C MET A 99 9.582 16.903 0.139 1.00 0.00 C ATOM 1283 O MET A 99 10.741 16.755 -0.248 1.00 0.00 O ATOM 1284 CB MET A 99 9.362 17.942 2.404 1.00 0.00 C ATOM 1285 CG MET A 99 9.003 17.788 3.873 1.00 0.00 C ATOM 1286 SD MET A 99 7.249 17.461 4.130 1.00 0.00 S ATOM 1287 CE MET A 99 7.317 16.302 5.492 1.00 0.00 C ATOM 0 H MET A 99 10.500 15.846 3.038 1.00 0.00 H new ATOM 0 HA MET A 99 8.167 16.330 1.638 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.392 18.289 2.325 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.731 18.714 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.587 16.974 4.302 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.281 18.696 4.408 1.00 0.00 H new ATOM 0 HE1 MET A 99 6.445 16.440 6.131 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.325 15.284 5.103 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.223 16.476 6.073 1.00 0.00 H new ATOM 1297 N GLU A 100 8.593 17.280 -0.666 1.00 0.00 N ATOM 1298 CA GLU A 100 8.822 17.545 -2.081 1.00 0.00 C ATOM 1299 C GLU A 100 9.385 16.309 -2.773 1.00 0.00 C ATOM 1300 O GLU A 100 10.598 16.173 -2.934 1.00 0.00 O ATOM 1301 CB GLU A 100 9.779 18.724 -2.254 1.00 0.00 C ATOM 1302 CG GLU A 100 9.083 20.075 -2.281 1.00 0.00 C ATOM 1303 CD GLU A 100 9.928 21.178 -1.676 1.00 0.00 C ATOM 1304 OE1 GLU A 100 11.146 21.211 -1.951 1.00 0.00 O ATOM 1305 OE2 GLU A 100 9.373 22.006 -0.924 1.00 0.00 O ATOM 0 H GLU A 100 7.628 17.408 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 100 7.866 17.797 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.504 18.715 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.338 18.594 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.839 20.333 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.141 20.005 -1.738 1.00 0.00 H new ATOM 1312 N GLY A 101 8.495 15.409 -3.176 1.00 0.00 N ATOM 1313 CA GLY A 101 8.914 14.195 -3.838 1.00 0.00 C ATOM 1314 C GLY A 101 7.734 13.342 -4.249 1.00 0.00 C ATOM 1315 O GLY A 101 7.098 12.701 -3.412 1.00 0.00 O ATOM 0 H GLY A 101 7.487 15.503 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.505 14.447 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.561 13.623 -3.173 1.00 0.00 H new ATOM 1319 N THR A 102 7.435 13.343 -5.540 1.00 0.00 N ATOM 1320 CA THR A 102 6.316 12.571 -6.065 1.00 0.00 C ATOM 1321 C THR A 102 6.618 11.078 -6.017 1.00 0.00 C ATOM 1322 O THR A 102 7.415 10.567 -6.805 1.00 0.00 O ATOM 1323 CB THR A 102 6.005 12.994 -7.503 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.670 14.369 -7.560 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.864 12.215 -8.124 1.00 0.00 C ATOM 0 H THR A 102 7.951 13.870 -6.244 1.00 0.00 H new ATOM 0 HA THR A 102 5.445 12.769 -5.440 1.00 0.00 H new ATOM 0 HB THR A 102 6.914 12.786 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.476 14.620 -8.487 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.696 12.565 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.115 11.154 -8.141 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.959 12.364 -7.536 1.00 0.00 H new ATOM 1333 N VAL A 103 5.971 10.385 -5.088 1.00 0.00 N ATOM 1334 CA VAL A 103 6.159 8.950 -4.932 1.00 0.00 C ATOM 1335 C VAL A 103 5.095 8.184 -5.706 1.00 0.00 C ATOM 1336 O VAL A 103 3.918 8.204 -5.348 1.00 0.00 O ATOM 1337 CB VAL A 103 6.100 8.539 -3.447 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.412 7.059 -3.281 1.00 0.00 C ATOM 1339 CG2 VAL A 103 7.052 9.386 -2.622 1.00 0.00 C ATOM 0 H VAL A 103 5.309 10.796 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 103 7.145 8.704 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 103 5.086 8.712 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.364 6.793 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.683 6.469 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.412 6.853 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.997 9.082 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.070 9.249 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.774 10.436 -2.709 1.00 0.00 H new ATOM 1349 N SER A 104 5.516 7.513 -6.774 1.00 0.00 N ATOM 1350 CA SER A 104 4.596 6.744 -7.606 1.00 0.00 C ATOM 1351 C SER A 104 4.374 5.352 -7.024 1.00 0.00 C ATOM 1352 O SER A 104 5.295 4.538 -6.973 1.00 0.00 O ATOM 1353 CB SER A 104 5.135 6.635 -9.036 1.00 0.00 C ATOM 1354 OG SER A 104 6.456 7.143 -9.125 1.00 0.00 O ATOM 0 H SER A 104 6.488 7.486 -7.084 1.00 0.00 H new ATOM 0 HA SER A 104 3.640 7.266 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.121 5.593 -9.355 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.484 7.185 -9.716 1.00 0.00 H new ATOM 0 HG SER A 104 6.777 7.060 -10.047 1.00 0.00 H new ATOM 1360 N LEU A 105 3.150 5.086 -6.582 1.00 0.00 N ATOM 1361 CA LEU A 105 2.817 3.793 -5.995 1.00 0.00 C ATOM 1362 C LEU A 105 1.840 3.017 -6.874 1.00 0.00 C ATOM 1363 O LEU A 105 0.705 3.445 -7.085 1.00 0.00 O ATOM 1364 CB LEU A 105 2.219 3.986 -4.602 1.00 0.00 C ATOM 1365 CG LEU A 105 2.932 5.025 -3.731 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.129 6.315 -3.670 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.172 4.478 -2.332 1.00 0.00 C ATOM 0 H LEU A 105 2.374 5.746 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 105 3.738 3.215 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.174 4.278 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.231 3.028 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 105 3.899 5.244 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.652 7.040 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.012 6.719 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.146 6.112 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.679 5.231 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.217 4.227 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.792 3.584 -2.392 1.00 0.00 H new ATOM 1379 N LEU A 106 2.286 1.866 -7.368 1.00 0.00 N ATOM 1380 CA LEU A 106 1.449 1.018 -8.209 1.00 0.00 C ATOM 1381 C LEU A 106 0.594 0.102 -7.342 1.00 0.00 C ATOM 1382 O LEU A 106 1.108 -0.787 -6.668 1.00 0.00 O ATOM 1383 CB LEU A 106 2.317 0.186 -9.154 1.00 0.00 C ATOM 1384 CG LEU A 106 1.554 -0.817 -10.022 1.00 0.00 C ATOM 1385 CD1 LEU A 106 0.999 -0.136 -11.263 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.455 -1.981 -10.407 1.00 0.00 C ATOM 0 H LEU A 106 3.223 1.499 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 106 0.794 1.654 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.868 0.863 -9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.054 -0.356 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 106 0.717 -1.207 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.460 -0.865 -11.868 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.320 0.663 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.819 0.283 -11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.896 -2.685 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.312 -1.608 -10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.803 -2.486 -9.506 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.714 0.338 -7.350 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.634 -0.459 -6.549 1.00 0.00 C ATOM 1400 C VAL A 107 -2.465 -1.404 -7.413 1.00 0.00 C ATOM 1401 O VAL A 107 -2.383 -1.377 -8.640 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.584 0.447 -5.736 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.789 1.465 -4.932 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.579 1.146 -6.653 1.00 0.00 C ATOM 0 H VAL A 107 -1.159 1.072 -7.901 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.024 -1.053 -5.869 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.144 -0.179 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.474 2.096 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.121 0.945 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.202 2.085 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.238 1.779 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.040 1.760 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.172 0.400 -7.182 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.270 -2.233 -6.755 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.132 -3.183 -7.447 1.00 0.00 C ATOM 1416 C PHE A 108 -5.552 -3.107 -6.897 1.00 0.00 C ATOM 1417 O PHE A 108 -5.780 -3.335 -5.708 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.590 -4.607 -7.299 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.420 -5.647 -8.002 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.664 -6.009 -7.511 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -3.954 -6.262 -9.152 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.428 -6.963 -8.154 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.715 -7.218 -9.801 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.953 -7.569 -9.301 1.00 0.00 C ATOM 0 H PHE A 108 -3.343 -2.265 -5.738 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.148 -2.923 -8.506 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.573 -4.642 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.533 -4.856 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.041 -5.539 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.986 -5.992 -9.547 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.396 -7.235 -7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.341 -7.689 -10.698 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.549 -8.315 -9.805 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.505 -2.779 -7.763 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.901 -2.667 -7.355 1.00 0.00 C ATOM 1436 C ARG A 109 -8.763 -3.722 -8.041 1.00 0.00 C ATOM 1437 O ARG A 109 -8.544 -4.060 -9.205 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.434 -1.269 -7.671 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.855 -1.033 -7.184 1.00 0.00 C ATOM 1440 CD ARG A 109 -9.878 -0.246 -5.882 1.00 0.00 C ATOM 1441 NE ARG A 109 -10.481 1.074 -6.053 1.00 0.00 N ATOM 1442 CZ ARG A 109 -11.072 1.755 -5.073 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -11.132 1.253 -3.845 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -11.601 2.945 -5.320 1.00 0.00 N ATOM 0 H ARG A 109 -6.337 -2.586 -8.750 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.951 -2.835 -6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.776 -0.528 -7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.398 -1.111 -8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.416 -0.493 -7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.354 -1.991 -7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.435 -0.805 -5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.861 -0.134 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.447 1.500 -6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.724 0.340 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.586 1.781 -3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.555 3.338 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.054 3.467 -4.570 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.751 -4.236 -7.312 1.00 0.00 N ATOM 1459 CA GLN A 110 -10.652 -5.250 -7.850 1.00 0.00 C ATOM 1460 C GLN A 110 -11.757 -4.602 -8.679 1.00 0.00 C ATOM 1461 O GLN A 110 -12.242 -3.520 -8.346 1.00 0.00 O ATOM 1462 CB GLN A 110 -11.265 -6.073 -6.716 1.00 0.00 C ATOM 1463 CG GLN A 110 -11.662 -7.481 -7.130 1.00 0.00 C ATOM 1464 CD GLN A 110 -12.472 -8.197 -6.067 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -13.663 -7.935 -5.896 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -11.828 -9.106 -5.344 1.00 0.00 N ATOM 0 H GLN A 110 -9.947 -3.967 -6.348 1.00 0.00 H new ATOM 0 HA GLN A 110 -10.074 -5.912 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -10.551 -6.133 -5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -12.145 -5.554 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.241 -7.434 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -10.763 -8.059 -7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -10.840 -9.291 -5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.321 -9.619 -4.613 1.00 0.00 H new ATOM 1475 N GLU A 111 -12.151 -5.269 -9.758 1.00 0.00 N ATOM 1476 CA GLU A 111 -13.198 -4.754 -10.634 1.00 0.00 C ATOM 1477 C GLU A 111 -14.471 -5.587 -10.515 1.00 0.00 C ATOM 1478 O GLU A 111 -14.428 -6.756 -10.131 1.00 0.00 O ATOM 1479 CB GLU A 111 -12.716 -4.739 -12.085 1.00 0.00 C ATOM 1480 CG GLU A 111 -13.559 -3.858 -12.995 1.00 0.00 C ATOM 1481 CD GLU A 111 -12.719 -3.006 -13.925 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -12.229 -3.542 -14.942 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -12.549 -1.802 -13.637 1.00 0.00 O ATOM 0 H GLU A 111 -11.762 -6.166 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.426 -3.734 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.683 -4.393 -12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.721 -5.758 -12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.225 -4.486 -13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.189 -3.210 -12.385 1.00 0.00 H new ATOM 1490 N GLU A 112 -15.602 -4.976 -10.855 1.00 0.00 N ATOM 1491 CA GLU A 112 -16.894 -5.655 -10.793 1.00 0.00 C ATOM 1492 C GLU A 112 -17.299 -5.936 -9.349 1.00 0.00 C ATOM 1493 O GLU A 112 -18.248 -5.345 -8.835 1.00 0.00 O ATOM 1494 CB GLU A 112 -16.853 -6.961 -11.591 1.00 0.00 C ATOM 1495 CG GLU A 112 -18.225 -7.450 -12.027 1.00 0.00 C ATOM 1496 CD GLU A 112 -18.531 -8.850 -11.530 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -17.957 -9.814 -12.075 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -19.348 -8.980 -10.594 1.00 0.00 O ATOM 0 H GLU A 112 -15.651 -4.009 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 112 -17.640 -4.994 -11.235 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -16.230 -6.818 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -16.377 -7.732 -10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -18.986 -6.763 -11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -18.283 -7.434 -13.115 1.00 0.00 H new ATOM 1505 N ALA A 113 -16.574 -6.843 -8.699 1.00 0.00 N ATOM 1506 CA ALA A 113 -16.863 -7.202 -7.314 1.00 0.00 C ATOM 1507 C ALA A 113 -18.304 -7.676 -7.160 1.00 0.00 C ATOM 1508 O ALA A 113 -19.006 -7.890 -8.147 1.00 0.00 O ATOM 1509 CB ALA A 113 -16.592 -6.020 -6.396 1.00 0.00 C ATOM 0 H ALA A 113 -15.784 -7.342 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 113 -16.206 -8.025 -7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -16.812 -6.301 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -15.545 -5.729 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -17.225 -5.181 -6.686 1.00 0.00 H new TER 1515 ALA A 113